smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23CCCC[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000085567404 519085793 /nfs/dbraw/zinc/08/57/93/519085793.db2.gz ZEAQFHPOWUVJEE-UDQJZUOISA-N 0 3 776.927 6.889 1 0 biogenic,in-vitro KKAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 ZINC000001727968 561679359 /nfs/dbraw/zinc/67/93/59/561679359.db2.gz HYTUTVAJULMQCQ-UHFFFAOYSA-N 0 3 582.897 5.179 1 0 KKAFHN O=C(CCN1CCCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003943961 561689660 /nfs/dbraw/zinc/68/96/60/561689660.db2.gz LJZXJLKOOIOLLK-VWLOTQADSA-N 0 3 567.574 6.311 1 0 KKAFHN O=C(C[C@@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1)NCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003947368 561690117 /nfs/dbraw/zinc/69/01/17/561690117.db2.gz RMQZAKOLGVUVAD-JGCGQSQUSA-N 0 3 611.743 6.368 1 0 in-vivo KKAFHN CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000003950343 561690381 /nfs/dbraw/zinc/69/03/81/561690381.db2.gz IJWODJNARSSPFC-LMSSTIIKSA-N 0 3 650.739 5.087 1 0 KKAFHN O=C(CNc1c(Cl)cccc1Cl)NC1C=Cc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2C1=O ZINC000005838430 561699165 /nfs/dbraw/zinc/69/91/65/561699165.db2.gz AAHVZBOFTGNEMJ-HXUWFJFHSA-N 0 3 585.296 5.907 1 0 KKAFHN COC(=O)c1cccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585202 561705859 /nfs/dbraw/zinc/70/58/59/561705859.db2.gz MTMAYQKEAVNSAJ-DYAPXYCXSA-N 0 3 536.075 6.605 3 0 KKAFHN COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585808 561705999 /nfs/dbraw/zinc/70/59/99/561705999.db2.gz KUOJETNPGHHXFO-KRKCRBJRSA-N 0 3 536.075 6.605 3 0 KKAFHN CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000013479395 561715060 /nfs/dbraw/zinc/71/50/60/561715060.db2.gz KQUMJWICVOFFEQ-RUZDIDTESA-N 0 3 529.747 5.202 1 0 KKAFHN c1ccc2c(c1)nc1c(c2NCCCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000013492738 561716428 /nfs/dbraw/zinc/71/64/28/561716428.db2.gz QRIQNQYNWBQHLY-UHFFFAOYSA-N 0 3 509.763 8.695 1 0 KKAFHN COc1cc2c(cc1OC)C(=O)N([C@H]1CCCN(CCCOc3ccc(OCc4ccccc4)cc3)C1)CC2 ZINC000013558945 561719492 /nfs/dbraw/zinc/71/94/92/561719492.db2.gz ROZKUPMORBJMBK-SANMLTNESA-N 0 3 530.665 5.215 1 0 KKAFHN COc1cc(OC)c([C@@H](CCN2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000013661000 561723365 /nfs/dbraw/zinc/72/33/65/561723365.db2.gz PIGIYURZSILWDZ-SANMLTNESA-N 0 3 527.665 5.220 3 0 KKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675649 561724039 /nfs/dbraw/zinc/72/40/39/561724039.db2.gz CANCFHBYJYSQSR-UHFFFAOYSA-N 0 3 531.144 7.750 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000013824902 561732703 /nfs/dbraw/zinc/73/27/03/561732703.db2.gz XXWICQFXPAIXDZ-UHFFFAOYSA-N 0 3 526.504 7.518 1 0 KKAFHN CNC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834324 561734210 /nfs/dbraw/zinc/73/42/10/561734210.db2.gz YCKREXMPTNANIH-UHFFFAOYSA-N 0 3 514.647 5.729 1 0 KKAFHN COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl ZINC000014209611 561737733 /nfs/dbraw/zinc/73/77/33/561737733.db2.gz CKNBKJGROXDJEP-QFIPXVFZSA-N 0 3 547.936 5.245 1 0 KKAFHN CN(C)C[C@@H](O)COc1ccc(Nc2cc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)ncn2)cc1 ZINC000014945877 561743396 /nfs/dbraw/zinc/74/33/96/561743396.db2.gz DYFJIKDOEKMQFC-HSZRJFAPSA-N 0 3 538.479 6.167 1 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)CCCC1 ZINC000014946309 561743457 /nfs/dbraw/zinc/74/34/57/561743457.db2.gz IXRJZUFMXJZPOC-UHFFFAOYSA-N 0 3 547.574 8.932 1 0 KKAFHN O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000014946307 561743506 /nfs/dbraw/zinc/74/35/06/561743506.db2.gz FEAVRTOEDVZKCJ-UHFFFAOYSA-N 0 3 581.986 7.732 1 0 KKAFHN CCOc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OCC ZINC000014953519 561746602 /nfs/dbraw/zinc/74/66/02/561746602.db2.gz APMZHDGXRDMALH-UHFFFAOYSA-N 0 3 572.533 6.454 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(I)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000014953485 561746607 /nfs/dbraw/zinc/74/66/07/561746607.db2.gz VYXSHJXKMJITQQ-UHFFFAOYSA-N 0 3 610.323 6.261 1 0 KKAFHN COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OC ZINC000014953514 561746668 /nfs/dbraw/zinc/74/66/68/561746668.db2.gz BUHZALANBOOLCL-UHFFFAOYSA-N 0 3 544.479 5.674 1 0 KKAFHN CN(C)CCOc1ccc(-c2c(-c3ccc(O)cc3)nn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000014970950 561751075 /nfs/dbraw/zinc/75/10/75/561751075.db2.gz XFPSQRFNGMCQFG-UHFFFAOYSA-N 0 3 510.438 5.747 1 0 KKAFHN COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545725 561755986 /nfs/dbraw/zinc/75/59/86/561755986.db2.gz VBFWTUJPDMIBLF-XMMPIXPASA-N 0 3 573.686 6.511 3 0 KKAFHN COc1ccc([C@@H]2C=CCN(CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018155156 561758180 /nfs/dbraw/zinc/75/81/80/561758180.db2.gz PMFCRKQEBIMFMP-LQJZCPKCSA-N 0 3 526.696 6.968 1 0 KKAFHN CN1CCN(CCCOc2ccc(Nc3cc4c(cn3)cc(-c3c(Cl)cccc3Cl)c(=O)n4C)cc2)CC1 ZINC000021289506 561758928 /nfs/dbraw/zinc/75/89/28/561758928.db2.gz PQZDDSNPXGLODE-UHFFFAOYSA-N 0 3 552.506 5.667 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cc(F)cc(F)c4)C[C@H]23)CC1 ZINC000022935429 561760658 /nfs/dbraw/zinc/76/06/58/561760658.db2.gz XVMIPCZPIBRRNE-AVPJRLCVSA-N 0 3 521.027 5.349 1 0 KKAFHN COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000022940863 561761057 /nfs/dbraw/zinc/76/10/57/561761057.db2.gz PSQJTKUPFCWUEO-RUZDIDTESA-N 0 3 504.502 5.352 1 0 KKAFHN COc1ccc(CN2CCN(C[C@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000023249286 561761393 /nfs/dbraw/zinc/76/13/93/561761393.db2.gz IQGSRHMTIXSIET-QFIPXVFZSA-N 0 3 587.356 5.507 1 0 KKAFHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(Cc2ccc(F)cc2)CC1 ZINC000023249095 561761444 /nfs/dbraw/zinc/76/14/44/561761444.db2.gz IOYOOVIEADEXNK-QFIPXVFZSA-N 0 3 575.320 5.637 1 0 KKAFHN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCN2CCCC2)c1Cl ZINC000023359241 561762075 /nfs/dbraw/zinc/76/20/75/561762075.db2.gz JNLUIKFYFVSZMB-UHFFFAOYSA-N 0 3 596.968 6.144 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166172 561769209 /nfs/dbraw/zinc/76/92/09/561769209.db2.gz ANTJGNUUYFJSAJ-OFNKIYASSA-N 0 3 509.071 5.742 1 0 KKAFHN COc1ccc([C@H](CCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O ZINC000026274267 561777882 /nfs/dbraw/zinc/77/78/82/561777882.db2.gz HNNRIVDZVTZPSR-YTTGMZPUSA-N 0 3 535.750 7.569 1 0 KKAFHN COc1ccc([C@@H](CCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O ZINC000026274264 561777918 /nfs/dbraw/zinc/77/79/18/561777918.db2.gz HNNRIVDZVTZPSR-JGCGQSQUSA-N 0 3 535.750 7.569 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(F)cc1)CC2 ZINC000026275480 561778124 /nfs/dbraw/zinc/77/81/24/561778124.db2.gz BPCHCQPFSUPHAR-WJOKGBTCSA-N 0 3 507.715 7.994 1 0 KKAFHN O=c1cc(C2N=NN=N2)oc2cc(OCCCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)ccc12 ZINC000026497875 561794709 /nfs/dbraw/zinc/79/47/09/561794709.db2.gz DYNGFQPAMLQXER-UHFFFAOYSA-N 0 3 537.620 6.042 1 0 KKAFHN COC(=O)CCCOc1ccc(-c2cc3ccccc3n2Cc2ccc(CN3CCCC3)c(OC)c2)cc1 ZINC000026404558 561789655 /nfs/dbraw/zinc/78/96/55/561789655.db2.gz RTJVSWWFXOXZBF-UHFFFAOYSA-N 0 3 512.650 6.293 1 0 KKAFHN C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[N-]C(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469294 561790153 /nfs/dbraw/zinc/79/01/53/561790153.db2.gz SUONVKFDJJYYME-RZFQCGOMSA-N 0 3 665.798 7.101 1 0 KKAFHN C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[N-]C(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469294 561790155 /nfs/dbraw/zinc/79/01/55/561790155.db2.gz SUONVKFDJJYYME-RZFQCGOMSA-N 0 3 665.798 7.101 1 0 KKAFHN CCN(C(=O)OCC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496415 561794474 /nfs/dbraw/zinc/79/44/74/561794474.db2.gz MESFEGXIYUDYKI-GDLZYMKVSA-N 0 3 569.812 5.984 1 0 KKAFHN CN(C[C@@H](CCN1CCC(N(CC2CCCCC2)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026501899 561795703 /nfs/dbraw/zinc/79/57/03/561795703.db2.gz NANYKPSEZCGDPM-UUWRZZSWSA-N 0 3 631.883 7.165 1 0 KKAFHN CCN(C(=O)Oc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026506248 561796677 /nfs/dbraw/zinc/79/66/77/561796677.db2.gz IEWHJUCUTWJJSZ-HHHXNRCGSA-N 0 3 549.737 5.466 1 0 KKAFHN O=[S@]1CC2(CCN(CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026577753 561802314 /nfs/dbraw/zinc/80/23/14/561802314.db2.gz HIMMHTUVMHCSMF-BUFIKQNTSA-N 0 3 577.599 5.601 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 ZINC000026580314 561805760 /nfs/dbraw/zinc/80/57/60/561805760.db2.gz JOCSJNBEXFKNIX-GWEXNCIJSA-N 0 3 605.653 6.084 1 0 KKAFHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCN(Cc4ccccc4)CC3)ccc1-2 ZINC000026649908 561808147 /nfs/dbraw/zinc/80/81/47/561808147.db2.gz JOBCIGYIYJEURT-UHFFFAOYSA-N 0 3 670.858 5.191 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc2ccccc21 ZINC000026664505 561810913 /nfs/dbraw/zinc/81/09/13/561810913.db2.gz SXIHVUMXYLXZAL-MSYMSKFLSA-N 0 3 642.092 8.663 1 0 KKAFHN O=C1N(CCN2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668423 561811764 /nfs/dbraw/zinc/81/17/64/561811764.db2.gz IYXNMOCEVXJKKO-PXJZQJOASA-N 0 3 519.064 5.616 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4CCOCc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026673616 561813229 /nfs/dbraw/zinc/81/32/29/561813229.db2.gz CGNVNXXLENQGRB-HUESYALOSA-N 0 3 720.867 6.641 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccncc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674627 561813575 /nfs/dbraw/zinc/81/35/75/561813575.db2.gz KUAJFMGQGXJNCK-RWYGWLOXSA-N 0 3 687.841 6.274 1 0 KKAFHN COc1ccc([C@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000026716064 561814069 /nfs/dbraw/zinc/81/40/69/561814069.db2.gz XBURWGMHOIWDHZ-HUESYALOSA-N 0 3 717.867 6.283 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026722855 561815554 /nfs/dbraw/zinc/81/55/54/561815554.db2.gz OOLKCFWNZIVZNS-KLWPZSMLSA-N 0 3 506.602 5.365 1 0 KKAFHN O=C1CC2(CCN(CCc3cccc4ccccc43)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 ZINC000026745327 561818636 /nfs/dbraw/zinc/81/86/36/561818636.db2.gz MLGILCIYEMBRNJ-UHFFFAOYSA-N 0 3 540.685 5.824 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(NC(C)=O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026821665 561821222 /nfs/dbraw/zinc/82/12/22/561821222.db2.gz RRWIDIYXIZDDHB-UHFFFAOYSA-N 0 3 550.646 5.737 1 0 KKAFHN O=C(NCCN1CCCC1)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840438 561825577 /nfs/dbraw/zinc/82/55/77/561825577.db2.gz UCNDRGGJCFHDEO-DHUJRADRSA-N 0 3 580.704 5.590 1 0 KKAFHN O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026850252 561827124 /nfs/dbraw/zinc/82/71/24/561827124.db2.gz NFINVMQZKQTXKJ-XRQFBBPYSA-N 0 3 589.736 5.325 1 0 KKAFHN CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)C1C(=O)OC(C)C ZINC000026956186 561829236 /nfs/dbraw/zinc/82/92/36/561829236.db2.gz ZICOEXZCJKMWFV-NPJIAGGLSA-N 0 3 542.101 6.438 1 0 KKAFHN CC1=NC(=O)N(C(=O)OC2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026967744 561830017 /nfs/dbraw/zinc/83/00/17/561830017.db2.gz NQZHGOYXVGZNDV-VWLOTQADSA-N 0 3 594.030 6.452 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 ZINC000026966896 561830023 /nfs/dbraw/zinc/83/00/23/561830023.db2.gz ZNXPJTFTPLLCKK-VWLOTQADSA-N 0 3 559.585 5.799 1 0 KKAFHN CC1=NC(=O)N(C(=O)OC2CCN(Cc3ccc(Cl)cc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026967735 561830068 /nfs/dbraw/zinc/83/00/68/561830068.db2.gz NQZHGOYXVGZNDV-RUZDIDTESA-N 0 3 594.030 6.452 1 0 KKAFHN CCOC(=O)C1C(C)=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026979315 561831154 /nfs/dbraw/zinc/83/11/54/561831154.db2.gz SIIMYHKMMDKZOK-SBXHHDGASA-N 0 3 561.626 6.415 1 0 KKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCCc4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027095591 561837993 /nfs/dbraw/zinc/83/79/93/561837993.db2.gz VQQDNJPWCBDBIN-RAWUVJNISA-N 0 3 518.657 5.489 1 0 KKAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105032 561839880 /nfs/dbraw/zinc/83/98/80/561839880.db2.gz PCDOWAYMDIDVIY-GDLZYMKVSA-N 0 3 665.279 5.030 1 0 KKAFHN COc1ccc(CCCCN2C(=O)N(CCN3CCCC3)C(=O)[C@@H]2Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000027180512 561841703 /nfs/dbraw/zinc/84/17/03/561841703.db2.gz UPULWNSZJPTRND-YTTGMZPUSA-N 0 3 555.719 5.568 1 0 KKAFHN CN(Cc1ccccc1)C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12 ZINC000027185102 561842477 /nfs/dbraw/zinc/84/24/77/561842477.db2.gz SJUGCLVDTCIDMC-JKMYNKRXSA-N 0 3 572.753 6.469 1 0 KKAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C ZINC000027215912 561848382 /nfs/dbraw/zinc/84/83/82/561848382.db2.gz QJWIKJQDFYXPFY-JSXRDJHFSA-N 0 3 523.265 5.342 1 0 KKAFHN CC(=O)O[C@@H]1C[C@H]2C(C)(C)/C(=N/OCCN3CCCC3)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412529 561856554 /nfs/dbraw/zinc/85/65/54/561856554.db2.gz ATEHWGPRICGPOU-BVGPPCAOSA-N 0 3 548.768 7.138 1 0 KKAFHN COc1ccc(OCCN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433183 561859732 /nfs/dbraw/zinc/85/97/32/561859732.db2.gz NVDGAAUKTHPFSV-LJAQVGFWSA-N 0 3 558.785 5.979 1 0 KKAFHN COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 ZINC000027518233 561862085 /nfs/dbraw/zinc/86/20/85/561862085.db2.gz NJFJLIABUZMOAH-VWLOTQADSA-N 0 3 571.606 6.083 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027522644 561864594 /nfs/dbraw/zinc/86/45/94/561864594.db2.gz POQAFSKCCQVOAP-RBISFHTESA-N 0 3 569.681 5.215 1 0 KKAFHN O=C(CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000027656390 561877614 /nfs/dbraw/zinc/87/76/14/561877614.db2.gz HGWNJTDOLATDDT-YIQDYSAESA-N 0 3 553.816 6.943 1 0 KKAFHN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCNC2 ZINC000027842961 561885121 /nfs/dbraw/zinc/88/51/21/561885121.db2.gz VYJGHVYOHOQBSU-AJQTZOPKSA-N 0 3 581.782 5.508 1 0 KKAFHN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027873983 561888532 /nfs/dbraw/zinc/88/85/32/561888532.db2.gz IZZPVNBZSGTVFV-AJGLSPHZSA-N 0 3 557.860 7.825 1 0 KKAFHN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3ccccc3C)CC1)(c1ccc(F)cc1)OCC2 ZINC000027889695 561889808 /nfs/dbraw/zinc/88/98/08/561889808.db2.gz XPBIPWRGNPLCGP-WJOKGBTCSA-N 0 3 504.646 5.570 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028003682 561895247 /nfs/dbraw/zinc/89/52/47/561895247.db2.gz XVFLNEOASJKKFX-YTTGMZPUSA-N 0 3 544.717 6.607 1 0 KKAFHN CCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008054 561896006 /nfs/dbraw/zinc/89/60/06/561896006.db2.gz LOUCFMTWTFVRPW-GABYNLOESA-N 0 3 582.833 6.617 1 0 KKAFHN CCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008054 561896008 /nfs/dbraw/zinc/89/60/08/561896008.db2.gz LOUCFMTWTFVRPW-GABYNLOESA-N 0 3 582.833 6.617 1 0 KKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000028010347 561896282 /nfs/dbraw/zinc/89/62/82/561896282.db2.gz WUXORFQPVDBBOK-UHFFFAOYSA-N 0 3 507.588 6.827 1 0 KKAFHN N[C@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012968 561896702 /nfs/dbraw/zinc/89/67/02/561896702.db2.gz NRXLSVZBUARMKR-CUGVKSGVSA-N 0 3 599.697 7.048 1 0 KKAFHN CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C1=NCCS1 ZINC000028087141 561899257 /nfs/dbraw/zinc/89/92/57/561899257.db2.gz ADGAJIWADBZGQI-UHFFFAOYSA-N 0 3 514.438 5.428 1 0 KKAFHN COc1ccc(OCCCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028090953 561899977 /nfs/dbraw/zinc/89/99/77/561899977.db2.gz BMKMLQSUONUBTC-BHVANESWSA-N 0 3 633.855 6.669 1 0 KKAFHN CN(CCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000028109984 561902902 /nfs/dbraw/zinc/90/29/02/561902902.db2.gz LRGAOOBYJCRZOE-JGCGQSQUSA-N 0 3 586.761 7.719 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028124718 561904766 /nfs/dbraw/zinc/90/47/66/561904766.db2.gz CZSUCMAQMLGPBX-FIRIVFDPSA-N 0 3 627.151 6.931 1 0 KKAFHN NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNC[C@H]1CCCO1 ZINC000028124892 561904808 /nfs/dbraw/zinc/90/48/08/561904808.db2.gz BHFJQXAFTZBCCB-PSXMRANNSA-N 0 3 660.859 5.342 1 0 KKAFHN CN(C(=O)N1CC[C@@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@H]1CCN(CCCc2ccccc2)C1 ZINC000028136737 561906700 /nfs/dbraw/zinc/90/67/00/561906700.db2.gz TYCHPBQYNABPSC-XZWHSSHBSA-N 0 3 590.690 6.161 1 0 KKAFHN CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136680 561906720 /nfs/dbraw/zinc/90/67/20/561906720.db2.gz SXVLTSDSQOWRHK-WUFINQPMSA-N 0 3 569.190 5.308 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028246107 561910718 /nfs/dbraw/zinc/91/07/18/561910718.db2.gz ZFIQNBKRRUQXAK-JLHYYAGUSA-N 0 3 514.069 5.960 1 0 KKAFHN CC(=O)[C@@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 ZINC000028340848 561914053 /nfs/dbraw/zinc/91/40/53/561914053.db2.gz YZNDAQVUGOIYLF-SAIUNTKASA-N 0 3 569.746 5.299 1 0 KKAFHN CC(=O)Nc1cccc(C(=O)N(C)C[C@H](CCN2CCC(O)(c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028363684 561917224 /nfs/dbraw/zinc/91/72/24/561917224.db2.gz NGTJEYANAKBOTK-VWLOTQADSA-N 0 3 568.545 6.181 1 0 KKAFHN C[C@@H]1CCC[N@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028383252 561920553 /nfs/dbraw/zinc/92/05/53/561920553.db2.gz JAYXLGPKVKAOEV-MRXNPFEDSA-N 0 3 553.046 6.746 1 0 KKAFHN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000028365709 561917528 /nfs/dbraw/zinc/91/75/28/561917528.db2.gz WCZIRCBKZXVRQX-UHFFFAOYSA-N 0 3 519.645 6.009 1 0 KKAFHN C[C@@H]1CCC[N@@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028383252 561920555 /nfs/dbraw/zinc/92/05/55/561920555.db2.gz JAYXLGPKVKAOEV-MRXNPFEDSA-N 0 3 553.046 6.746 1 0 KKAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)[C@@H](O)c1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028366227 561917681 /nfs/dbraw/zinc/91/76/81/561917681.db2.gz HTOZTDPNNYZTSI-XDZOPTLVSA-N 0 3 535.773 5.246 1 0 KKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCC4(CC3)OCCO4)cc2)cc1 ZINC000028373565 561918728 /nfs/dbraw/zinc/91/87/28/561918728.db2.gz FBRWJFIIKLEIOI-WUFINQPMSA-N 0 3 521.635 5.283 1 0 KKAFHN CC[NH+](CC)C[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028378286 561919521 /nfs/dbraw/zinc/91/95/21/561919521.db2.gz QLZFEFLJXAQBPU-HNNXBMFYSA-N 0 3 500.970 5.368 1 0 KKAFHN CC[NH+](CC)C[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028378279 561919559 /nfs/dbraw/zinc/91/95/59/561919559.db2.gz QLZFEFLJXAQBPU-OAHLLOKOSA-N 0 3 500.970 5.368 1 0 KKAFHN CCNC(=O)c1ccc(C(c2cccc(-c3nnn[n-]3)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)cc1 ZINC000028394135 561922789 /nfs/dbraw/zinc/92/27/89/561922789.db2.gz BOMHAWWRYBAPPZ-WMPKNSHKSA-N 0 3 510.667 5.307 1 0 KKAFHN CCNC(=O)c1ccc(C(c2cccc(-c3nnn[n-]3)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)cc1 ZINC000028394135 561922790 /nfs/dbraw/zinc/92/27/90/561922790.db2.gz BOMHAWWRYBAPPZ-WMPKNSHKSA-N 0 3 510.667 5.307 1 0 KKAFHN CCNC(=O)c1ccc(C(c2cccc(-c3nn[n-]n3)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)cc1 ZINC000028394135 561922791 /nfs/dbraw/zinc/92/27/91/561922791.db2.gz BOMHAWWRYBAPPZ-WMPKNSHKSA-N 0 3 510.667 5.307 1 0 KKAFHN CCNC(=O)c1ccc(C(c2cccc(-c3nn[n-]n3)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)cc1 ZINC000028394135 561922792 /nfs/dbraw/zinc/92/27/92/561922792.db2.gz BOMHAWWRYBAPPZ-WMPKNSHKSA-N 0 3 510.667 5.307 1 0 KKAFHN COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CN(C)CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455359 561923620 /nfs/dbraw/zinc/92/36/20/561923620.db2.gz LPZBXKUELQDVOX-OGZQLISNSA-N 0 3 635.205 6.358 1 0 KKAFHN COc1ccc(C[C@@H]2[C@H](OC(=O)NC3CCN(Cc4ccccc4)CC3)[C@@H](O)CN2C(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000028461300 561925285 /nfs/dbraw/zinc/92/52/85/561925285.db2.gz XDXIMRIGULSUCL-DNNYKULVSA-N 0 3 712.165 6.815 1 0 KKAFHN CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(Cl)cc1Cl ZINC000028462585 561925525 /nfs/dbraw/zinc/92/55/25/561925525.db2.gz TVXDHFKNGKNDCM-UHFFFAOYSA-N 0 3 545.436 8.059 1 0 KKAFHN CC(C)Oc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F ZINC000028477186 561928406 /nfs/dbraw/zinc/92/84/06/561928406.db2.gz RVHJCDMUNHOSHG-DEOSSOPVSA-N 0 3 559.535 5.510 1 0 KKAFHN CN(C)CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000028521014 561929224 /nfs/dbraw/zinc/92/92/24/561929224.db2.gz UPNXDUCBUZNMCB-WJOKGBTCSA-N 0 3 535.644 5.625 1 0 KKAFHN Cc1cc(C)cc(NC(=O)NC[C@H](c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028521799 561929480 /nfs/dbraw/zinc/92/94/80/561929480.db2.gz DDHJYTODSBZYIU-JGCGQSQUSA-N 0 3 510.726 6.784 1 0 KKAFHN CC(C)(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522888 561929696 /nfs/dbraw/zinc/92/96/96/561929696.db2.gz WVCVAYYNQLGCHZ-HHHXNRCGSA-N 0 3 530.679 6.816 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc4ccc(-c5ccccc5)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 561930401 /nfs/dbraw/zinc/93/04/01/561930401.db2.gz NOMDKPQZZPKQLJ-FCIJAXDVSA-N 0 3 580.748 6.679 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc4ccc(-c5ccccc5)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 561930402 /nfs/dbraw/zinc/93/04/02/561930402.db2.gz NOMDKPQZZPKQLJ-FCIJAXDVSA-N 0 3 580.748 6.679 1 0 KKAFHN CCCCCCc1ccc(-c2csc(Cc3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 ZINC000028525321 561931159 /nfs/dbraw/zinc/93/11/59/561931159.db2.gz MSGFUWGUNJJZIQ-QNGWXLTQSA-N 0 3 653.914 8.190 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000028525320 561931215 /nfs/dbraw/zinc/93/12/15/561931215.db2.gz ZEVDNNXLGPCLBE-HKBQPEDESA-N 0 3 605.732 6.346 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3c(Cl)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646353 561945093 /nfs/dbraw/zinc/94/50/93/561945093.db2.gz VFCUBGIDVRNDJS-UMSFTDKQSA-N 0 3 563.205 6.464 1 0 KKAFHN Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636657 561941471 /nfs/dbraw/zinc/94/14/71/561941471.db2.gz KJMRUOOAHNCZDI-SSEXGKCCSA-N 0 3 559.718 5.520 1 0 KKAFHN O=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNC[C@H]1CCCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000028640518 561942845 /nfs/dbraw/zinc/94/28/45/561942845.db2.gz LDBKYPUSVXWURX-PGUFJCEWSA-N 0 3 603.807 6.144 1 0 KKAFHN CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1 ZINC000028642815 561943841 /nfs/dbraw/zinc/94/38/41/561943841.db2.gz SDHWXODIKXBHDY-JWQCQUIFSA-N 0 3 592.108 5.556 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(Br)cc2)CC1 ZINC000028646211 561944973 /nfs/dbraw/zinc/94/49/73/561944973.db2.gz FCNCDDRBEIHYQX-HKBQPEDESA-N 0 3 549.601 5.531 1 0 KKAFHN COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702821 561947286 /nfs/dbraw/zinc/94/72/86/561947286.db2.gz SFMLSDLMRDESKD-QHCPKHFHSA-N 0 3 628.639 7.029 1 0 KKAFHN O=C1N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000028704483 561948566 /nfs/dbraw/zinc/94/85/66/561948566.db2.gz BAFGXZMFFXRBQV-WJOKGBTCSA-N 0 3 563.677 5.888 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-n5cccc5)cc4)CC3)C2=O)c1 ZINC000028704489 561948586 /nfs/dbraw/zinc/94/85/86/561948586.db2.gz SPUNALFSCHUGOA-UHFFFAOYSA-N 0 3 538.623 5.629 1 0 KKAFHN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CCN(C)C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000028707766 561950225 /nfs/dbraw/zinc/95/02/25/561950225.db2.gz HSGWCZXIIMAGHE-XMMPIXPASA-N 0 3 548.662 5.886 1 0 KKAFHN O=C(NCCC1CCN(c2ccncc2)CC1)c1nn(-c2ccccn2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711995 561952634 /nfs/dbraw/zinc/95/26/34/561952634.db2.gz ORKQIUFOLCPTAN-UHFFFAOYSA-N 0 3 608.928 5.367 1 0 KKAFHN COc1ccc(C2=NO[C@@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC ZINC000028712812 561953411 /nfs/dbraw/zinc/95/34/11/561953411.db2.gz PBLLZSMBTAPYBH-MHZLTWQESA-N 0 3 535.635 5.662 1 0 KKAFHN O=C(Cc1cccc2ccccc21)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714014 561954418 /nfs/dbraw/zinc/95/44/18/561954418.db2.gz QCIKOZJDMJYRIG-UHFFFAOYSA-N 0 3 530.116 5.210 1 0 KKAFHN COc1ccccc1CN(C)CCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714104 561954588 /nfs/dbraw/zinc/95/45/88/561954588.db2.gz BWSSOVPALRZCNH-GJITUFOTSA-N 0 3 616.891 6.524 1 0 KKAFHN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCCCN(C)Cc1ccccn1 ZINC000028714103 561954700 /nfs/dbraw/zinc/95/47/00/561954700.db2.gz UXVMSZREGCXMRS-LNRBAWTCSA-N 0 3 615.907 6.691 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816353 561964029 /nfs/dbraw/zinc/96/40/29/561964029.db2.gz QRSZJGGQSYYERE-GSVOJQHPSA-N 0 3 680.933 9.994 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816287 561964097 /nfs/dbraw/zinc/96/40/97/561964097.db2.gz MAINIDSGKSBIQJ-MJPWBCPGSA-N 0 3 652.879 9.213 1 0 KKAFHN O=C(OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028816511 561964220 /nfs/dbraw/zinc/96/42/20/561964220.db2.gz KZPKWWGBJWPHLN-IAPPQJPRSA-N 0 3 578.150 5.851 1 0 KKAFHN CC(C)C[C@H](NCCO)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823896 561968554 /nfs/dbraw/zinc/96/85/54/561968554.db2.gz YNRLVFCAEWMMDT-XTEPFMGCSA-N 0 3 643.578 5.564 1 0 KKAFHN C[C@H](NCCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824128 561969017 /nfs/dbraw/zinc/96/90/17/561969017.db2.gz NHPJKBQBCRAMLO-NRFANRHFSA-N 0 3 520.077 5.847 1 0 KKAFHN CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)CN2CCC(c3coc4cc(F)ccc43)CC2)C1 ZINC000028824374 561969545 /nfs/dbraw/zinc/96/95/45/561969545.db2.gz WMOVJGHIZPEMGK-DEOSSOPVSA-N 0 3 584.614 5.599 1 0 KKAFHN CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827057 561971486 /nfs/dbraw/zinc/97/14/86/561971486.db2.gz BDKKUJXOTBQXCJ-ZDRFMVIZSA-N 0 3 578.606 5.669 1 0 KKAFHN O=C(OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1 ZINC000028879514 561976470 /nfs/dbraw/zinc/97/64/70/561976470.db2.gz HSJXMFJMCVMAKI-IZLXSDGUSA-N 0 3 640.168 6.628 1 0 KKAFHN COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873124 561974717 /nfs/dbraw/zinc/97/47/17/561974717.db2.gz KRKHKSLETVBBMO-UHFFFAOYSA-N 0 3 692.945 7.061 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CCSC)c3=O)CC2)C(C)C)c1 ZINC000028874794 561975335 /nfs/dbraw/zinc/97/53/35/561975335.db2.gz RYRWIHMMTQHAQP-HHHXNRCGSA-N 0 3 511.732 5.614 1 0 KKAFHN O=C(OC[C@@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028879090 561976160 /nfs/dbraw/zinc/97/61/60/561976160.db2.gz ZIKGOADCTDQKTA-XCZPVHLTSA-N 0 3 596.140 5.990 1 0 KKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(Nc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cs3)CC1)=CC2 ZINC000028957200 561983185 /nfs/dbraw/zinc/98/31/85/561983185.db2.gz QPFRKTUZRFTNPS-UWJYYQICSA-N 0 3 529.594 7.716 1 0 KKAFHN O=C(NCc1cccc(CNCc2ccc3ccccc3c2)c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967572 561985367 /nfs/dbraw/zinc/98/53/67/561985367.db2.gz ZZFSYPOLPDFYNX-UHFFFAOYSA-N 0 3 562.739 7.188 1 0 KKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000028967696 561985371 /nfs/dbraw/zinc/98/53/71/561985371.db2.gz OSOLEGAIVKIDFB-UHFFFAOYSA-N 0 3 549.483 6.528 1 0 KKAFHN C[C@H](CCCN1CCc2ccccc2C1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978234 561987702 /nfs/dbraw/zinc/98/77/02/561987702.db2.gz DSDRQSRLYGLYRP-HXUWFJFHSA-N 0 3 533.521 5.908 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C(=O)OC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039336 561989755 /nfs/dbraw/zinc/98/97/55/561989755.db2.gz SQWVOXOCDCWIEB-GPXNEJASSA-N 0 3 538.010 5.010 1 0 KKAFHN CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(F)cc2Cl)CC1 ZINC000029043450 561992084 /nfs/dbraw/zinc/99/20/84/561992084.db2.gz WIYYBZMEWSJCLO-XQFUHLNNSA-N 0 3 576.584 6.940 1 0 KKAFHN COc1cc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc(C(F)(F)F)c1 ZINC000029048644 561993718 /nfs/dbraw/zinc/99/37/18/561993718.db2.gz ZXPMTAYDELAHRR-PKAZHMFMSA-N 0 3 550.581 6.167 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ncsn4)c3=O)CC2)C(C)C)c1 ZINC000029062181 561995903 /nfs/dbraw/zinc/99/59/03/561995903.db2.gz QEALVBRJCBVLMA-AREMUKBSSA-N 0 3 535.714 5.150 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4c(C)noc4C)c3=O)CC2)C(C)C)c1 ZINC000029061753 561995911 /nfs/dbraw/zinc/99/59/11/561995911.db2.gz DNWBVIHRXCWTCQ-PMERELPUSA-N 0 3 546.712 5.904 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cn4ccnc4C)c3=O)CC2)C(C)C)c1 ZINC000029063582 561996306 /nfs/dbraw/zinc/99/63/06/561996306.db2.gz ULSQCYSSRBVLAT-GDLZYMKVSA-N 0 3 531.701 5.261 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cccnc4)c3=O)CC2)C(C)C)c1 ZINC000029064228 561996311 /nfs/dbraw/zinc/99/63/11/561996311.db2.gz DZBPCCBNAIHNNJ-PMERELPUSA-N 0 3 528.697 5.694 1 0 KKAFHN O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125459 561997624 /nfs/dbraw/zinc/99/76/24/561997624.db2.gz SAFAYEWAOOEFOR-UHFFFAOYSA-N 0 3 538.324 5.437 1 0 KKAFHN CN(C)CCN(C)C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125598 561997817 /nfs/dbraw/zinc/99/78/17/561997817.db2.gz QVLLFDDIYGBBAZ-WJOKGBTCSA-N 0 3 715.269 5.503 1 0 KKAFHN CN(C)CCNC(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125597 561997881 /nfs/dbraw/zinc/99/78/81/561997881.db2.gz PRCLJYOAKPONJM-PMERELPUSA-N 0 3 701.242 5.160 1 0 KKAFHN COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000029133717 562003685 /nfs/dbraw/zinc/00/36/85/562003685.db2.gz FVIRTVGXWNRAMY-UHFFFAOYSA-N 0 3 505.058 6.659 1 0 KKAFHN Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)c5cccc(CN(C)C)c5)c(C)c34)c2F)[nH]1 ZINC000029134243 562003950 /nfs/dbraw/zinc/00/39/50/562003950.db2.gz YABFYGFIFBKKDB-GOSISDBHSA-N 0 3 531.588 5.445 1 0 KKAFHN COc1c2ccccc2c(OC)c(C(F)(F)F)c1CN(CCNc1ccnc2cc(Cl)ccc21)C(C)C ZINC000029134709 562004222 /nfs/dbraw/zinc/00/42/22/562004222.db2.gz IDDQJXZUGKJHDT-UHFFFAOYSA-N 0 3 532.006 7.400 1 0 KKAFHN COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)o2)n1 ZINC000029136115 562004654 /nfs/dbraw/zinc/00/46/54/562004654.db2.gz BMUFJAUVAKXQFU-UHFFFAOYSA-N 0 3 527.646 5.555 1 0 KKAFHN COc1cccc([C@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)c1 ZINC000029340470 562015126 /nfs/dbraw/zinc/01/51/26/562015126.db2.gz NMNYYJCTQPXJPZ-QHCPKHFHSA-N 0 3 518.466 5.839 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342616 562015610 /nfs/dbraw/zinc/01/56/10/562015610.db2.gz FURDJWVBJDISJQ-DDIISEAMSA-N 0 3 686.942 5.115 1 0 KKAFHN Nc1nc2cc(Cl)c(Cl)cc2n1CCCCCCCn1c(N)nc2cc(Cl)c(Cl)cc21 ZINC000029404646 562020431 /nfs/dbraw/zinc/02/04/31/562020431.db2.gz QJPBXHFVDCGTPB-UHFFFAOYSA-N 0 3 500.261 6.815 1 0 KKAFHN CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029468215 562024926 /nfs/dbraw/zinc/02/49/26/562024926.db2.gz UQVMPYXBAWGXGN-UHFFFAOYSA-N 0 3 503.068 6.425 1 0 KKAFHN CN1CN(c2cccc(C(F)(F)F)c2)C2(CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029481688 562027479 /nfs/dbraw/zinc/02/74/79/562027479.db2.gz PHOXXTRVUNTKHW-UHFFFAOYSA-N 0 3 558.595 6.283 1 0 KKAFHN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553763 562031725 /nfs/dbraw/zinc/03/17/25/562031725.db2.gz WKQSQQHHTZBHTH-JBOQNHBVSA-N 0 3 601.754 5.842 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2c(OC)cccc2OC)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556192 562032072 /nfs/dbraw/zinc/03/20/72/562032072.db2.gz FOHPCRQSIZLSLN-GDLZYMKVSA-N 0 3 552.693 5.302 1 0 KKAFHN Cc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1OCc1ccccc1 ZINC000029559524 562032826 /nfs/dbraw/zinc/03/28/26/562032826.db2.gz ONCZFLYTRGGESY-UHFFFAOYSA-N 0 3 548.706 7.230 1 0 KKAFHN CCCCOc1ccccc1OC[C@@H](O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565712 562034333 /nfs/dbraw/zinc/03/43/33/562034333.db2.gz NHMBRKFMTPPSQN-MHZLTWQESA-N 0 3 546.687 5.719 1 0 KKAFHN CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755081 562037548 /nfs/dbraw/zinc/03/75/48/562037548.db2.gz CEWVFZWVXADRCT-PKTZIBPZSA-N 0 3 513.788 8.197 1 0 KKAFHN COc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(OC)ccc21 ZINC000034110097 562038221 /nfs/dbraw/zinc/03/82/21/562038221.db2.gz IFCSDJGUXGRSFR-JGCGQSQUSA-N 0 3 513.634 6.396 1 0 in-vivo KKAFHN CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)CN2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804884 562043473 /nfs/dbraw/zinc/04/34/73/562043473.db2.gz JGSIEANYYGCVKS-RUZDIDTESA-N 0 3 655.718 5.113 1 0 KKAFHN CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1 ZINC000036093269 562047018 /nfs/dbraw/zinc/04/70/18/562047018.db2.gz FTVCCHUPUJEUIW-FIPFOOKPSA-N 0 3 509.622 5.045 1 0 KKAFHN COc1cccc(NC(=O)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000036177556 562049419 /nfs/dbraw/zinc/04/94/19/562049419.db2.gz GRSYDSUIMCPQLM-ZRDIBKRKSA-N 0 3 533.500 5.542 1 0 KKAFHN CC(C)(C)CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036188205 562050918 /nfs/dbraw/zinc/05/09/18/562050918.db2.gz BCJCHJGSBADBFH-UHFFFAOYSA-N 0 3 536.507 6.532 1 0 KKAFHN CCN(CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CCc3ccccc3C2)CC1 ZINC000036285027 562053615 /nfs/dbraw/zinc/05/36/15/562053615.db2.gz VQOIYAMYLOQWBL-CZNDPXEESA-N 0 3 620.213 5.385 1 0 KKAFHN N[C@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285571 562054191 /nfs/dbraw/zinc/05/41/91/562054191.db2.gz CUIHSBFDWJIEDC-AREMUKBSSA-N 0 3 530.471 5.631 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285649 562054335 /nfs/dbraw/zinc/05/43/35/562054335.db2.gz PRWVJUJCHUHVLU-QLXKLKPCSA-N 0 3 573.487 5.456 1 0 KKAFHN Cc1cc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)ccc1Cl ZINC000036285861 562054555 /nfs/dbraw/zinc/05/45/55/562054555.db2.gz DTKGHZKFFVMHGS-CYFREDJKSA-N 0 3 510.044 6.241 1 0 KKAFHN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000036324018 562055344 /nfs/dbraw/zinc/05/53/44/562055344.db2.gz XHNPKKNIQBKPHA-OYUWMTPXSA-N 0 3 525.577 8.068 1 0 KKAFHN CN(Cc1c[nH]c(=O)[nH]1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324435 562055471 /nfs/dbraw/zinc/05/54/71/562055471.db2.gz ZSLGEMKPRWABHK-FSSWDIPSSA-N 0 3 513.482 6.116 1 0 KKAFHN Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1 ZINC000036338824 562057366 /nfs/dbraw/zinc/05/73/66/562057366.db2.gz IKKIBNZCYWKUSQ-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1ccccc1NC(=O)NCc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1 ZINC000036338824 562057368 /nfs/dbraw/zinc/05/73/68/562057368.db2.gz IKKIBNZCYWKUSQ-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1ccccc1Cl ZINC000036338851 562057387 /nfs/dbraw/zinc/05/73/87/562057387.db2.gz LPMGFAMWKXULFT-UHFFFAOYSA-N 0 3 547.128 5.774 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1ccccc1Cl ZINC000036338851 562057388 /nfs/dbraw/zinc/05/73/88/562057388.db2.gz LPMGFAMWKXULFT-UHFFFAOYSA-N 0 3 547.128 5.774 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc21 ZINC000036349225 562057877 /nfs/dbraw/zinc/05/78/77/562057877.db2.gz BYQZIQGTLPDDKE-MGBGTMOVSA-N 0 3 595.751 6.365 1 0 KKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCC(c4ccccc4)CC3)ccc2c1 ZINC000038149731 562066228 /nfs/dbraw/zinc/06/62/28/562066228.db2.gz ODMRZHCWTPHENJ-UHFFFAOYSA-N 0 3 563.126 7.695 1 0 KKAFHN CC(C)CCN1CC[C@@H](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150651 562066429 /nfs/dbraw/zinc/06/64/29/562066429.db2.gz GRZGPYMYCGWTKZ-UIUQJESISA-N 0 3 536.713 5.421 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc21 ZINC000038151297 562066835 /nfs/dbraw/zinc/06/68/35/562066835.db2.gz KWUDOKOIFMMBSB-JHOUSYSJSA-N 0 3 567.755 6.039 1 0 KKAFHN CC(C)(C)CN1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000038257729 562070810 /nfs/dbraw/zinc/07/08/10/562070810.db2.gz MZGSBTMNRARQLF-UHFFFAOYSA-N 0 3 514.548 6.821 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(=O)C2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038462132 562072021 /nfs/dbraw/zinc/07/20/21/562072021.db2.gz QVIGMIXQFMLDIS-CFJRQAHESA-N 0 3 514.510 5.976 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccccc1CCF)c1ccc(OCCN2CCCCC2)cc1 ZINC000038750017 562072337 /nfs/dbraw/zinc/07/23/37/562072337.db2.gz SWDHYKXQYUPRCM-UHFFFAOYSA-N 0 3 503.639 6.882 1 0 KKAFHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)NCCN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000040690088 562079076 /nfs/dbraw/zinc/07/90/76/562079076.db2.gz HIHOWBSBBDRPDW-QLTAQHPPSA-N 0 3 500.812 7.684 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@](O)(Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040817946 562080027 /nfs/dbraw/zinc/08/00/27/562080027.db2.gz HZHVNKHPWFQMOV-HKBQPEDESA-N 0 3 523.620 5.787 1 0 KKAFHN COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc21 ZINC000042805584 562089203 /nfs/dbraw/zinc/08/92/03/562089203.db2.gz CLLDBMRRUZYRLR-UHFFFAOYSA-N 0 3 561.706 6.359 1 0 in-vivo KKAFHN CN(C)Cc1ccccc1Sc1ccc(I)cc1NC(=O)c1ccc(F)cc1 ZINC000040950082 562085908 /nfs/dbraw/zinc/08/59/08/562085908.db2.gz OJCSIBAAOOBVQU-UHFFFAOYSA-N 0 3 506.384 5.895 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCCCC1 ZINC000040951039 562085995 /nfs/dbraw/zinc/08/59/95/562085995.db2.gz MQIGEJLZKVQZSL-VWNXMTODSA-N 0 3 526.690 6.012 1 0 KKAFHN CC(C)C(=O)O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040979188 562087354 /nfs/dbraw/zinc/08/73/54/562087354.db2.gz HNQYTVPEOUBBMB-WJOKGBTCSA-N 0 3 535.679 6.441 1 0 KKAFHN Cc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000042806726 562089844 /nfs/dbraw/zinc/08/98/44/562089844.db2.gz VVICOEQHILEAPE-PHVLTXCSSA-N 0 3 591.156 5.104 1 0 KKAFHN Cc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000042806726 562089845 /nfs/dbraw/zinc/08/98/45/562089845.db2.gz VVICOEQHILEAPE-PHVLTXCSSA-N 0 3 591.156 5.104 1 0 KKAFHN COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N13 ZINC000085511857 560073776 /nfs/dbraw/zinc/07/37/76/560073776.db2.gz NEKIHSCHYFCIRU-QZZURBPNSA-N 0 3 579.690 5.170 1 0 biogenic,in-vitro KKAFHN C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1 ZINC000043024844 562645051 /nfs/dbraw/zinc/64/50/51/562645051.db2.gz BIGKPXKLKJZLME-HXUWFJFHSA-N 0 3 582.482 5.966 1 0 KKAFHN CN1CCN(C(=O)NC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@H](c2ccccc2)C1 ZINC000043065905 562645336 /nfs/dbraw/zinc/64/53/36/562645336.db2.gz HLFQPMNDRXUKAD-MHZLTWQESA-N 0 3 525.619 5.159 1 0 KKAFHN O=C(OCc1ccc(Cl)cc1)c1cn(Cc2ccc(Cl)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000043151812 562646389 /nfs/dbraw/zinc/64/63/89/562646389.db2.gz XAAACIWGJCKPDH-UHFFFAOYSA-N 0 3 540.422 5.262 1 0 KKAFHN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 ZINC000043197082 562646781 /nfs/dbraw/zinc/64/67/81/562646781.db2.gz PGCOOGZBMIERGE-DEOSSOPVSA-N 0 3 618.964 7.496 1 0 KKAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000044308039 562654179 /nfs/dbraw/zinc/65/41/79/562654179.db2.gz LDFHMYVFAPMKFW-UHFFFAOYSA-N 0 3 565.077 5.131 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1cccc(F)c1 ZINC000044351681 562654829 /nfs/dbraw/zinc/65/48/29/562654829.db2.gz PKUNCJUNQIFCJL-UHFFFAOYSA-N 0 3 555.654 5.252 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCN1CCN(c2nc(NC3CCCCC3)nc(N3CCCCC3)n2)CC1 ZINC000044358221 562655261 /nfs/dbraw/zinc/65/52/61/562655261.db2.gz IXSRLCFUGINRRY-UHFFFAOYSA-N 0 3 550.155 5.042 1 0 KKAFHN FC(F)(F)c1cccc(CN(CCCOc2cccc3[nH]ccc32)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000044360473 562655616 /nfs/dbraw/zinc/65/56/16/562655616.db2.gz FSENUVJQKQCYBD-UHFFFAOYSA-N 0 3 563.063 8.943 1 0 KKAFHN CCN(CCCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416837 562656942 /nfs/dbraw/zinc/65/69/42/562656942.db2.gz LUSQBOYQNVVORG-UHFFFAOYSA-N 0 3 568.187 5.990 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCN2CC2CCCCC2)c1 ZINC000045167085 562657939 /nfs/dbraw/zinc/65/79/39/562657939.db2.gz UZBISDZKADNRKD-HSZRJFAPSA-N 0 3 523.621 5.281 1 0 KKAFHN C[C@H](CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167525 562658050 /nfs/dbraw/zinc/65/80/50/562658050.db2.gz KBBTZNWIQSYFEJ-LJQANCHMSA-N 0 3 521.587 5.738 1 0 KKAFHN C[C@H](CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167525 562658051 /nfs/dbraw/zinc/65/80/51/562658051.db2.gz KBBTZNWIQSYFEJ-LJQANCHMSA-N 0 3 521.587 5.738 1 0 KKAFHN CC(=O)Nc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045188644 562658301 /nfs/dbraw/zinc/65/83/01/562658301.db2.gz SLBYFXHYNULWMQ-LJQANCHMSA-N 0 3 501.574 5.644 1 0 KKAFHN COc1ccc(NC(=O)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1Cl ZINC000045190373 562658523 /nfs/dbraw/zinc/65/85/23/562658523.db2.gz OJFNYWXESSXTLQ-MDWZMJQESA-N 0 3 533.500 5.542 1 0 KKAFHN COC(=O)c1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000045196227 562658994 /nfs/dbraw/zinc/65/89/94/562658994.db2.gz PLKFRNSVJBWRHH-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN COC(=O)c1cccc(CNCc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1 ZINC000045196227 562658995 /nfs/dbraw/zinc/65/89/95/562658995.db2.gz PLKFRNSVJBWRHH-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN CC(C)(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)s3)CC2)cc1 ZINC000045201014 562659007 /nfs/dbraw/zinc/65/90/07/562659007.db2.gz QVHSABVFHGJKBY-UHFFFAOYSA-N 0 3 500.630 7.126 1 0 KKAFHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)s3)CC2)cc1 ZINC000045201732 562659109 /nfs/dbraw/zinc/65/91/09/562659109.db2.gz VKOXBNZGKJNJFC-UHFFFAOYSA-N 0 3 501.574 5.787 1 0 KKAFHN Cc1nc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN(C)CC7)c6cc54)cccc23)no1 ZINC000045301674 562660555 /nfs/dbraw/zinc/66/05/55/562660555.db2.gz MSHBRSCHDOLYKJ-UHFFFAOYSA-N 0 3 519.609 5.093 1 0 KKAFHN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000045302056 562660563 /nfs/dbraw/zinc/66/05/63/562660563.db2.gz ZYLSWHVDPIIHRZ-HUUCEWRRSA-N 0 3 501.077 5.399 1 0 KKAFHN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000045302058 562660621 /nfs/dbraw/zinc/66/06/21/562660621.db2.gz ZYLSWHVDPIIHRZ-GJZGRUSLSA-N 0 3 501.077 5.399 1 0 KKAFHN COc1cc(NC(=O)/C=C/c2ccccc2Cl)cc(OCCN2CCC(O)(c3ccccc3)CC2)c1 ZINC000045334970 562661298 /nfs/dbraw/zinc/66/12/98/562661298.db2.gz AZXHPJMZQQRHDH-VAWYXSNFSA-N 0 3 507.030 5.363 1 0 KKAFHN O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000048307280 562662900 /nfs/dbraw/zinc/66/29/00/562662900.db2.gz YULHSCHRHAVYAX-UIOOFZCWSA-N 0 3 548.609 5.977 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307313 562662977 /nfs/dbraw/zinc/66/29/77/562662977.db2.gz BDNFLJUVYRSWSN-GDLZYMKVSA-N 0 3 703.555 9.582 1 0 KKAFHN CCCC[C@H]1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000048998249 562663190 /nfs/dbraw/zinc/66/31/90/562663190.db2.gz IDEGMDBRNXENQR-SANMLTNESA-N 0 3 539.765 5.372 1 0 KKAFHN CCCC[C@@H]1N(CC2CCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048999496 562663200 /nfs/dbraw/zinc/66/32/00/562663200.db2.gz BQGPVKKNJCGGSP-MHZLTWQESA-N 0 3 509.735 5.944 1 0 KKAFHN CC(C)([NH3+])Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc43)cc2)cc1 ZINC000049017789 562663346 /nfs/dbraw/zinc/66/33/46/562663346.db2.gz DOCCZRBITWYFJS-UHFFFAOYSA-N 0 3 530.694 5.977 1 0 KKAFHN c1ccc(CNCc2ccc(CN(CCCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664249 /nfs/dbraw/zinc/66/42/49/562664249.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 0 3 516.693 6.155 1 0 KKAFHN CCCC[C@H]1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049114609 562664695 /nfs/dbraw/zinc/66/46/95/562664695.db2.gz GSGHHANFVYYMSM-HHHXNRCGSA-N 0 3 525.734 5.180 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)c(C)c(=O)cc1CCc1cccc(F)c1F ZINC000049605114 562665324 /nfs/dbraw/zinc/66/53/24/562665324.db2.gz JQWVMQPMTCHLGX-UHFFFAOYSA-N 0 3 653.736 7.585 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccccc1F ZINC000049605370 562665799 /nfs/dbraw/zinc/66/57/99/562665799.db2.gz IUIUOCXCZFKWGS-UHFFFAOYSA-N 0 3 658.740 7.377 1 0 KKAFHN COc1ccc([C@@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049605448 562665942 /nfs/dbraw/zinc/66/59/42/562665942.db2.gz WQQCWWFROVXTDG-PXLJZGITSA-N 0 3 678.661 5.736 1 0 KKAFHN CC(C)CC(=O)NC1CCN(Cc2c(-c3cccs3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000049605607 562666100 /nfs/dbraw/zinc/66/61/00/562666100.db2.gz UARNNAMLRIDFLR-QHCPKHFHSA-N 0 3 560.808 6.789 1 0 KKAFHN O=C1c2ccccc2C(=O)N1CCOc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000049605741 562666282 /nfs/dbraw/zinc/66/62/82/562666282.db2.gz JBCSGFMNXKTZTA-UHFFFAOYSA-N 0 3 654.359 5.320 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605729 562666304 /nfs/dbraw/zinc/66/63/04/562666304.db2.gz FWOCVWATTUPVMG-SLFFLAALSA-N 0 3 572.364 6.586 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049614201 562666518 /nfs/dbraw/zinc/66/65/18/562666518.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 0 3 702.804 7.966 1 0 KKAFHN O=C(NCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049614811 562666569 /nfs/dbraw/zinc/66/65/69/562666569.db2.gz DYQPWUWERYOCLA-UHFFFAOYSA-N 0 3 695.735 10.533 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049625444 562666778 /nfs/dbraw/zinc/66/67/78/562666778.db2.gz UOYHHUKUSBEJQM-BDTNDASRSA-N 0 3 537.919 5.933 1 0 KKAFHN O=C(NCCCCN1CCN(c2cccc3ccccc32)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049625549 562666820 /nfs/dbraw/zinc/66/68/20/562666820.db2.gz QTGJUCFUBLLVJA-UHFFFAOYSA-N 0 3 541.095 6.078 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CCCCn2c3ccccc3c(=O)nc2CCc2cccc(F)c2F)CC1 ZINC000049625585 562666846 /nfs/dbraw/zinc/66/68/46/562666846.db2.gz SWLUIOMXLMYNGC-UHFFFAOYSA-N 0 3 730.822 8.829 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626796 562667327 /nfs/dbraw/zinc/66/73/27/562667327.db2.gz FWQUBVLQAGQEGZ-UHFFFAOYSA-N 0 3 687.753 8.264 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H](CC)c2cccc(Cl)c2)cc(N2CCCC2=O)c1 ZINC000049626805 562667401 /nfs/dbraw/zinc/66/74/01/562667401.db2.gz SSBXLIOFVZGGIK-DYIKCSJPSA-N 0 3 563.142 5.342 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049650010 562667921 /nfs/dbraw/zinc/66/79/21/562667921.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 0 3 726.870 8.302 1 0 KKAFHN O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CCC(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049694961 562670051 /nfs/dbraw/zinc/67/00/51/562670051.db2.gz NIBPZSMLIVDUPL-UHFFFAOYSA-N 0 3 606.425 7.754 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@H](NC(=O)NCc3ccccc3Cl)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049710016 562671520 /nfs/dbraw/zinc/67/15/20/562671520.db2.gz XGGIQPIDJMSEAH-MHZLTWQESA-N 0 3 636.045 6.391 1 0 KKAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccnc2)ccc1OCCN1CCCC1 ZINC000049710174 562671566 /nfs/dbraw/zinc/67/15/66/562671566.db2.gz MMQPXMZTPMHXRG-UHFFFAOYSA-N 0 3 577.106 6.451 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)c1 ZINC000049710274 562671647 /nfs/dbraw/zinc/67/16/47/562671647.db2.gz YDAAPBIJADYDIL-UHFFFAOYSA-N 0 3 558.629 8.539 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1SCc1ccc(F)cc1 ZINC000049710576 562671758 /nfs/dbraw/zinc/67/17/58/562671758.db2.gz VDAYUAOXFHEWAE-UHFFFAOYSA-N 0 3 676.780 7.884 1 0 KKAFHN CC(C)(CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(F)c(F)c2)C1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049710786 562671831 /nfs/dbraw/zinc/67/18/31/562671831.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 0 3 610.105 5.961 1 0 KKAFHN CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(F)c(F)c2)C1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049710786 562671832 /nfs/dbraw/zinc/67/18/32/562671832.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 0 3 610.105 5.961 1 0 KKAFHN CC(C)(CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(F)c(F)c2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049710786 562671833 /nfs/dbraw/zinc/67/18/33/562671833.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 0 3 610.105 5.961 1 0 KKAFHN CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(F)c(F)c2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049710786 562671834 /nfs/dbraw/zinc/67/18/34/562671834.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 0 3 610.105 5.961 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710900 562671859 /nfs/dbraw/zinc/67/18/59/562671859.db2.gz JBTYSKIUPAUNTK-HHHXNRCGSA-N 0 3 645.471 8.515 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049710858 562671876 /nfs/dbraw/zinc/67/18/76/562671876.db2.gz NXBWPAZUEFONEN-WNOXWKSXSA-N 0 3 649.792 5.176 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Br)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049710909 562671894 /nfs/dbraw/zinc/67/18/94/562671894.db2.gz QOZGHIUNJSEXRJ-UHFFFAOYSA-N 0 3 687.629 7.260 1 0 KKAFHN CCN1CCC[C@@H]1CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722592 562672207 /nfs/dbraw/zinc/67/22/07/562672207.db2.gz JLOWWZLDDROYCZ-WJOKGBTCSA-N 0 3 688.741 7.659 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049722591 562672211 /nfs/dbraw/zinc/67/22/11/562672211.db2.gz WKKXFGIJMRPOAF-HHHXNRCGSA-N 0 3 670.490 7.044 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccc(C)cc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722599 562672272 /nfs/dbraw/zinc/67/22/72/562672272.db2.gz FWHSDMDOOKGMIM-UHFFFAOYSA-N 0 3 690.757 7.825 1 0 KKAFHN COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCCN4CCN(C)CC4)c3)ccc2c1 ZINC000049722724 562672473 /nfs/dbraw/zinc/67/24/73/562672473.db2.gz XSYCMWWDFFAVIL-UHFFFAOYSA-N 0 3 601.582 7.324 1 0 KKAFHN COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCCCN4CCN(C)CC4)c3)ccc2c1 ZINC000049722724 562672474 /nfs/dbraw/zinc/67/24/74/562672474.db2.gz XSYCMWWDFFAVIL-UHFFFAOYSA-N 0 3 601.582 7.324 1 0 KKAFHN CN(C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3)c(C(N)=O)c1N2 ZINC000049723054 562672861 /nfs/dbraw/zinc/67/28/61/562672861.db2.gz QPJJXMQGPKKSPO-UHFFFAOYSA-N 0 3 594.503 5.840 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049745031 562673648 /nfs/dbraw/zinc/67/36/48/562673648.db2.gz KCQAMDDVQXZDMS-OIDHKYIRSA-N 0 3 692.923 5.114 1 0 in-vitro KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1 ZINC000049756681 562675189 /nfs/dbraw/zinc/67/51/89/562675189.db2.gz KHEXPUZMPCBDCB-UHFFFAOYSA-N 0 3 570.719 5.684 1 0 KKAFHN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756859 562675276 /nfs/dbraw/zinc/67/52/76/562675276.db2.gz QIDWHGYCMKSPBT-AJQTZOPKSA-N 0 3 545.724 5.033 1 0 KKAFHN CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049757226 562675743 /nfs/dbraw/zinc/67/57/43/562675743.db2.gz HWLAFZXKYIUVHI-SZAHLOSFSA-N 0 3 636.859 5.062 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(F)cc3)c1)CC2 ZINC000049757352 562675889 /nfs/dbraw/zinc/67/58/89/562675889.db2.gz ZFCPCEXARXCKTA-PMERELPUSA-N 0 3 549.731 6.093 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(C)c1 ZINC000049757508 562676066 /nfs/dbraw/zinc/67/60/66/562676066.db2.gz MZWALFBOTNMRTP-UHFFFAOYSA-N 0 3 554.720 5.983 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Sc3ccccc3)c1)CC2 ZINC000049762144 562676339 /nfs/dbraw/zinc/67/63/39/562676339.db2.gz MTNIXVKNTZJBNP-PMERELPUSA-N 0 3 547.809 6.312 1 0 KKAFHN O=C(C[C@@H](NCCCCCCCCN[C@H](CC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000049763097 562676822 /nfs/dbraw/zinc/67/68/22/562676822.db2.gz GXNZUCYHXRTKIT-NDOUMJCMSA-N 0 3 755.016 8.824 1 0 KKAFHN C[C@@H](c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049776243 562679272 /nfs/dbraw/zinc/67/92/72/562679272.db2.gz YHPYQGLAAHGHLS-DEOSSOPVSA-N 0 3 639.164 7.670 1 0 KKAFHN COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 ZINC000049776985 562679499 /nfs/dbraw/zinc/67/94/99/562679499.db2.gz MWXNEDJGFIJNMF-HKBQPEDESA-N 0 3 630.830 5.036 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[C@@H]2COCCN2)ncn1 ZINC000049777420 562679983 /nfs/dbraw/zinc/67/99/83/562679983.db2.gz XPIADKIXMMYTSD-RUZDIDTESA-N 0 3 630.675 6.319 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(CCCc2c[nH]c3ccccc23)CC1 ZINC000049777979 562680778 /nfs/dbraw/zinc/68/07/78/562680778.db2.gz ITDADHRHXNLGNN-UHFFFAOYSA-N 0 3 561.524 6.255 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778310 562681180 /nfs/dbraw/zinc/68/11/80/562681180.db2.gz IMQBTGWOTKESLU-FREGXXQWSA-N 0 3 709.517 8.558 1 0 KKAFHN Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCCNc4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000049778335 562681187 /nfs/dbraw/zinc/68/11/87/562681187.db2.gz QSKSHYAAYVBXCL-UHFFFAOYSA-N 0 3 671.651 5.697 1 0 KKAFHN CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778354 562681256 /nfs/dbraw/zinc/68/12/56/562681256.db2.gz HEILVIDOVAHKRM-GMTSZFNJSA-N 0 3 648.267 5.183 1 0 KKAFHN O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)CCNC1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780321 562681646 /nfs/dbraw/zinc/68/16/46/562681646.db2.gz LEPZPTOEMLDSMH-UHFFFAOYSA-N 0 3 605.940 7.875 1 0 KKAFHN NC[C@@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780779 562682261 /nfs/dbraw/zinc/68/22/61/562682261.db2.gz ARKBMNLTGFBKCG-OAQYLSRUSA-N 0 3 581.918 7.245 1 0 KKAFHN O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCN5CCC(O)CC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049781095 562682612 /nfs/dbraw/zinc/68/26/12/562682612.db2.gz VTMCXPIYMFDLKI-UHFFFAOYSA-N 0 3 601.633 5.598 1 0 KKAFHN COCCOc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781150 562682728 /nfs/dbraw/zinc/68/27/28/562682728.db2.gz OSMJTLDDZBOMDZ-VWLOTQADSA-N 0 3 634.044 7.301 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000049784076 562683427 /nfs/dbraw/zinc/68/34/27/562683427.db2.gz GZPYZOSKISZVND-VWLOTQADSA-N 0 3 633.060 7.249 1 0 KKAFHN O=C(NCCN1CCCCC1)c1ccc(-c2csc3nc(-c4ccc(OCc5ccccc5)cc4)nn23)cc1 ZINC000049785931 562684154 /nfs/dbraw/zinc/68/41/54/562684154.db2.gz LQMXUPZHUMIOCR-UHFFFAOYSA-N 0 3 537.689 5.920 1 0 KKAFHN C[C@@H](NC(=O)c1cc(-c2ccc([C@@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049793402 562684822 /nfs/dbraw/zinc/68/48/22/562684822.db2.gz SPQNHSZTLTXJJP-KEEVHDRGSA-N 0 3 549.668 5.389 1 0 KKAFHN CSc1ccc(CN[C@H]2CCCC[C@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 ZINC000049793406 562684825 /nfs/dbraw/zinc/68/48/25/562684825.db2.gz TYQZZRQBYYICKJ-KKUQBAQOSA-N 0 3 620.738 6.206 1 0 KKAFHN O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCN5CCCC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049793725 562685115 /nfs/dbraw/zinc/68/51/15/562685115.db2.gz IQTMKKLAPIHCBO-UHFFFAOYSA-N 0 3 571.607 6.237 1 0 KKAFHN COc1ccc(N(C(=O)CN2c3ccccc3[C@@H](c3ccccc3)C(=O)C(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)C2=O)C(C)C)cc1 ZINC000049889248 562691935 /nfs/dbraw/zinc/69/19/35/562691935.db2.gz OUQGSAYYPAIPHP-AMAPPZPBSA-N 0 3 694.788 6.606 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1 ZINC000049898467 562692558 /nfs/dbraw/zinc/69/25/58/562692558.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 0 3 670.803 6.477 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917565 562693579 /nfs/dbraw/zinc/69/35/79/562693579.db2.gz IPQMMHOXXCGSDM-BHDDXSALSA-N 0 3 571.471 6.298 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917560 562693582 /nfs/dbraw/zinc/69/35/82/562693582.db2.gz DPBDEJSHFAVZAV-LEWJYISDSA-N 0 3 603.488 6.781 1 0 KKAFHN COc1cc(C=CC(=O)NC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)cc(OC)c1 ZINC000049917606 562693629 /nfs/dbraw/zinc/69/36/29/562693629.db2.gz KLFABNHTMURDPS-UROCCOEBSA-N 0 3 684.429 5.860 1 0 KKAFHN O=C(C=Cc1cccs1)NC[C@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049917729 562693785 /nfs/dbraw/zinc/69/37/85/562693785.db2.gz GWIJKTFOQUSAQV-KDLSMAQYSA-N 0 3 630.406 6.077 1 0 KKAFHN CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917762 562693859 /nfs/dbraw/zinc/69/38/59/562693859.db2.gz ZHDSIQJTAMFWOD-RWYGWLOXSA-N 0 3 726.943 6.848 1 0 KKAFHN O=c1cc(NCC[C@H](CNCc2ccc(Br)o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917933 562694199 /nfs/dbraw/zinc/69/41/99/562694199.db2.gz MOWMGWIMHWQDLU-LJQANCHMSA-N 0 3 653.213 6.159 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)cc1 ZINC000049917969 562694258 /nfs/dbraw/zinc/69/42/58/562694258.db2.gz DLUFNTLZGDMTMS-UHFFFAOYSA-N 0 3 535.591 6.609 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000049918258 562694640 /nfs/dbraw/zinc/69/46/40/562694640.db2.gz IONJJIDMPXPECU-UHFFFAOYSA-N 0 3 710.783 6.618 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049938215 562695172 /nfs/dbraw/zinc/69/51/72/562695172.db2.gz WZCRTOKSBDFVAS-FIBWVYCGSA-N 0 3 675.072 7.905 1 0 KKAFHN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000049938424 562695270 /nfs/dbraw/zinc/69/52/70/562695270.db2.gz DUTXSEWRTZPJLR-ZHAMFGDSSA-N 0 3 691.889 5.986 1 0 KKAFHN CCOc1ccccc1Oc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1C(=O)Nc1c(C)cccc1C ZINC000053276054 562697010 /nfs/dbraw/zinc/69/70/10/562697010.db2.gz HXBMTVMACYGAGE-UHFFFAOYSA-N 0 3 538.652 5.690 1 0 KKAFHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058580994 562699724 /nfs/dbraw/zinc/69/97/24/562699724.db2.gz GIVPKVSPHSKBPI-VWLOTQADSA-N 0 3 571.512 6.320 1 0 KKAFHN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc1N(c1ccccc1)S(C)(=O)=O ZINC000058581811 562699867 /nfs/dbraw/zinc/69/98/67/562699867.db2.gz HYNKIPABGATMMG-IGYGKHONSA-N 0 3 625.713 5.603 1 0 KKAFHN CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058583239 562700093 /nfs/dbraw/zinc/70/00/93/562700093.db2.gz FPELKAOVKORIJY-RUZDIDTESA-N 0 3 647.043 6.700 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058593448 562700703 /nfs/dbraw/zinc/70/07/03/562700703.db2.gz UOYHHUKUSBEJQM-FKBYEOEOSA-N 0 3 537.919 5.933 1 0 KKAFHN CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)c1 ZINC000058602700 562700857 /nfs/dbraw/zinc/70/08/57/562700857.db2.gz VKICSHONDTWPQK-MPQUPPDSSA-N 0 3 687.784 6.962 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1c(C)cc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033368 562701631 /nfs/dbraw/zinc/70/16/31/562701631.db2.gz BGCAKGMAXGRXLE-AREMUKBSSA-N 0 3 591.837 7.889 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(OCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033260 562701638 /nfs/dbraw/zinc/70/16/38/562701638.db2.gz NBYDAJFVSYGLLS-DEOSSOPVSA-N 0 3 565.755 6.718 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(OCC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033260 562701639 /nfs/dbraw/zinc/70/16/39/562701639.db2.gz NBYDAJFVSYGLLS-DEOSSOPVSA-N 0 3 565.755 6.718 1 0 KKAFHN COc1cccc(-c2sc3cc(OC)c(OC)cc3c2-c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000061944867 562703814 /nfs/dbraw/zinc/70/38/14/562703814.db2.gz UZQSVAXISNJXMA-UHFFFAOYSA-N 0 3 503.664 7.126 3 0 KKAFHN CCNC(=O)[C@@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1 ZINC000064512962 562706337 /nfs/dbraw/zinc/70/63/37/562706337.db2.gz XEGOLLHFEQVDHJ-SEPYTNNBSA-N 0 3 502.499 5.833 1 0 KKAFHN COCCCN1CCC(NC(=O)c2cc(-n3nc(C(C)(C)C)cc3NC(=O)Nc3cccc4ccccc43)ccc2C)CC1 ZINC000064539458 562707577 /nfs/dbraw/zinc/70/75/77/562707577.db2.gz GYXQXRWIELQCCU-UHFFFAOYSA-N 0 3 596.776 6.506 1 0 KKAFHN COc1c(C(=O)NC2(C(=O)N[C@H](CCCN3CCN(CC4CCOCC4)CC3)Cc3ccccc3)CCCC2)ccc2ccccc21 ZINC000066074210 562709724 /nfs/dbraw/zinc/70/97/24/562709724.db2.gz OTLFJNPFYBOAPG-MGBGTMOVSA-N 0 3 640.869 5.443 1 0 KKAFHN CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)N2CCC[C@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075875 562710054 /nfs/dbraw/zinc/71/00/54/562710054.db2.gz XPNVWCRSEYTHES-JEYYSDHNSA-N 0 3 602.687 5.171 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCC2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103540 562711588 /nfs/dbraw/zinc/71/15/88/562711588.db2.gz PYXSQEBHAOBWDL-YMZMCOLGSA-N 0 3 566.624 6.026 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104357 562711705 /nfs/dbraw/zinc/71/17/05/562711705.db2.gz VZDMPXBUIWEQHN-UMSFTDKQSA-N 0 3 620.842 6.043 1 0 KKAFHN O=C(Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000066112935 562712159 /nfs/dbraw/zinc/71/21/59/562712159.db2.gz JFKRRSJQKDTYKH-GDLZYMKVSA-N 0 3 550.615 5.536 1 0 KKAFHN CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1 ZINC000066167288 562714305 /nfs/dbraw/zinc/71/43/05/562714305.db2.gz SOIUUQHALQGWPY-UHFFFAOYSA-N 0 3 572.569 5.130 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc21 ZINC000068245928 562716131 /nfs/dbraw/zinc/71/61/31/562716131.db2.gz FTUGGBSHBYYNOW-UHFFFAOYSA-N 0 3 620.680 5.326 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071297084 562717733 /nfs/dbraw/zinc/71/77/33/562717733.db2.gz DKVWTGMSGYYQCA-XMMPIXPASA-N 0 3 518.610 5.261 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@H](O)c2ccc(Br)cc2)CC1 ZINC000071330885 562719232 /nfs/dbraw/zinc/71/92/32/562719232.db2.gz SBVFNLJIIJHIAV-LHSJRXKWSA-N 0 3 515.279 5.105 1 0 KKAFHN S=C1N=C2C(=Cc3cccc4ccccc34)CN(Cc3ccccc3)CC2[C@H](c2cccc3ccccc32)N1 ZINC000071340718 562719832 /nfs/dbraw/zinc/71/98/32/562719832.db2.gz VTNQOZDFITULBB-GQCCWYFBSA-N 0 3 523.705 7.777 1 0 KKAFHN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101289 562720246 /nfs/dbraw/zinc/72/02/46/562720246.db2.gz DQUUEQRGCDHDRL-QFIPXVFZSA-N 0 3 544.521 5.047 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(O)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072102926 562720301 /nfs/dbraw/zinc/72/03/01/562720301.db2.gz UHOJKTDOKODUSJ-IQLGONJTSA-N 0 3 541.692 5.041 3 0 KKAFHN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103477 562720324 /nfs/dbraw/zinc/72/03/24/562720324.db2.gz OLUKHOPUUWMDEI-PFBJBMPXSA-N 0 3 509.050 5.218 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103197 562720329 /nfs/dbraw/zinc/72/03/29/562720329.db2.gz GTPMMMDYPWSLBL-ZYADHFCISA-N 0 3 676.053 6.857 3 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6cc(C(F)(F)F)cc(C(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072111471 562721989 /nfs/dbraw/zinc/72/19/89/562721989.db2.gz LIGFFEGIWZXUAP-FPDLZRPASA-N 0 3 614.715 7.185 1 0 KKAFHN C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112522 562722120 /nfs/dbraw/zinc/72/21/20/562722120.db2.gz JZPFDUSVFDKDJU-NYTNZEMMSA-N 0 3 642.769 7.962 1 0 KKAFHN CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113029 562722236 /nfs/dbraw/zinc/72/22/36/562722236.db2.gz UTNLTQYGLBSRPE-IIMVBQHGSA-N 0 3 520.718 5.258 1 0 KKAFHN CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127742 562725925 /nfs/dbraw/zinc/72/59/25/562725925.db2.gz HUJIOOUZBZWSBP-NCRNUEESSA-N 0 3 749.997 7.473 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072128642 562726096 /nfs/dbraw/zinc/72/60/96/562726096.db2.gz GQWDZONLPIYMSR-WPTHFGHYSA-N 0 3 672.826 7.557 3 0 KKAFHN CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128638 562726116 /nfs/dbraw/zinc/72/61/16/562726116.db2.gz LNLNGNGPLSBRDR-VCTRWQRLSA-N 0 3 668.279 5.679 3 0 KKAFHN CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)Cc6ccc(C(F)(F)F)cc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072128781 562726338 /nfs/dbraw/zinc/72/63/38/562726338.db2.gz AGHZIEXSJDHZPW-NGZBDLKASA-N 0 3 644.888 8.265 1 0 KKAFHN C[C@@H](CN(C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000072132413 562726869 /nfs/dbraw/zinc/72/68/69/562726869.db2.gz BKTXRPJVVXUPPO-PNCWTNKOSA-N 0 3 711.901 6.155 3 0 KKAFHN COc1cc(OC)nc([C@@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccc(F)cc2)n1 ZINC000072137839 562728468 /nfs/dbraw/zinc/72/84/68/562728468.db2.gz YSZYSSFEWCOCJD-PMERELPUSA-N 0 3 556.638 5.543 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072139472 562728940 /nfs/dbraw/zinc/72/89/40/562728940.db2.gz GRPFDAQJGJEHNF-WNQXLSPZSA-N 0 3 619.989 6.227 3 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)CCC(F)(F)F)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000072140894 562729211 /nfs/dbraw/zinc/72/92/11/562729211.db2.gz PBMALKHQNFBMQF-QNBZCSHPSA-N 0 3 651.767 5.904 3 0 KKAFHN COc1cc(OC)c2c(c1[C@@H](CCN1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000072151428 562730113 /nfs/dbraw/zinc/73/01/13/562730113.db2.gz MWIOXPKQVFBCTI-HEVIKAOCSA-N 0 3 648.848 6.621 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172003 562730551 /nfs/dbraw/zinc/73/05/51/562730551.db2.gz JSMYFJXDBDPWRP-XMMPIXPASA-N 0 3 528.605 5.511 1 0 KKAFHN C[C@@H](NC(=O)c1cc(-c2cn([C@H](CNCc3cccc(Br)c3)Cc3ccccc3)nn2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000072176865 562731698 /nfs/dbraw/zinc/73/16/98/562731698.db2.gz ZJUGXFYQRWKLPE-HPMVVLTCSA-N 0 3 701.691 6.168 1 0 KKAFHN C[C@H](Oc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180647 562732547 /nfs/dbraw/zinc/73/25/47/562732547.db2.gz DWRSFLPJFKITBF-INIZCTEOSA-N 0 3 517.432 5.742 1 0 KKAFHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181476 562732753 /nfs/dbraw/zinc/73/27/53/562732753.db2.gz AWUSEWFIOJHHGJ-HHHXNRCGSA-N 0 3 510.642 5.401 1 0 KKAFHN C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl ZINC000072183499 562732948 /nfs/dbraw/zinc/73/29/48/562732948.db2.gz WONIGLPPCGGIDN-PGRDOPGGSA-N 0 3 541.042 6.103 1 0 KKAFHN C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000072317541 562733205 /nfs/dbraw/zinc/73/32/05/562733205.db2.gz NRLJADWXSYTZGP-SZUKKWSHSA-N 0 3 533.660 5.663 1 0 KKAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1 ZINC000073140366 562733617 /nfs/dbraw/zinc/73/36/17/562733617.db2.gz JPVGYGPMNFNVTR-XJFCNFDWSA-N 0 3 533.594 5.095 1 0 KKAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000073199719 562736020 /nfs/dbraw/zinc/73/60/20/562736020.db2.gz XWWBOYDUGHVMQG-BJKOFHAPSA-N 0 3 526.633 5.201 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccc(F)cc4c3=O)CC2)c1 ZINC000073218956 562736179 /nfs/dbraw/zinc/73/61/79/562736179.db2.gz JDZUOOLTFGPZIL-UHFFFAOYSA-N 0 3 533.047 6.084 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)F ZINC000073223577 562736500 /nfs/dbraw/zinc/73/65/00/562736500.db2.gz CWSAJTLFSLVVTF-YRUKQIKQSA-N 0 3 514.016 5.455 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ccccc23)cc1 ZINC000073292524 562737489 /nfs/dbraw/zinc/73/74/89/562737489.db2.gz YNPVBCBDMGLBTR-XMMPIXPASA-N 0 3 508.367 7.503 1 0 KKAFHN C[NH+](C)CCCc1ccc(C(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2[N-]C(=S)C3)c1 ZINC000082155828 562740552 /nfs/dbraw/zinc/74/05/52/562740552.db2.gz IHOWKSDIGLFLPH-UHFFFAOYSA-N 0 3 505.997 6.349 1 0 KKAFHN O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(CNC2CC2)ccc1Cl)C1CC1 ZINC000082156819 562740761 /nfs/dbraw/zinc/74/07/61/562740761.db2.gz XRBCSAZPNWJRJK-SSEXGKCCSA-N 0 3 641.134 5.517 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)c(F)c4)c4ccccc4c3=O)CC2)c1 ZINC000082157816 562740990 /nfs/dbraw/zinc/74/09/90/562740990.db2.gz BTIBOXRUOJMCMC-UHFFFAOYSA-N 0 3 533.047 6.084 1 0 KKAFHN O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(-c3cccc(CN4Cc5ccccc5C4)c3)cc1)ccc2[O-] ZINC000082158858 562741131 /nfs/dbraw/zinc/74/11/31/562741131.db2.gz NGFREUBJOZESFK-UHFFFAOYSA-N 0 3 521.686 5.853 1 0 KKAFHN O=C([N-]CCC[NH+](CCCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(F)(F)F ZINC000082185934 562742318 /nfs/dbraw/zinc/74/23/18/562742318.db2.gz UXFATSAFEVUKRA-UHFFFAOYSA-N 0 3 674.730 7.215 1 0 KKAFHN O=C([N-]CCC[NH+](CCCC[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(F)(F)F ZINC000082185934 562742319 /nfs/dbraw/zinc/74/23/19/562742319.db2.gz UXFATSAFEVUKRA-UHFFFAOYSA-N 0 3 674.730 7.215 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccccc1CCCF)c1ccc(OCCN2CCCCC2)cc1 ZINC000084619392 562745275 /nfs/dbraw/zinc/74/52/75/562745275.db2.gz RPXJYPJCYFILIZ-UHFFFAOYSA-N 0 3 517.666 7.272 1 0 KKAFHN O=C(NCCCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084632874 562745622 /nfs/dbraw/zinc/74/56/22/562745622.db2.gz RDTFFLFEGIKFDL-UHFFFAOYSA-N 0 3 525.693 7.183 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1Cl ZINC000084653497 562746872 /nfs/dbraw/zinc/74/68/72/562746872.db2.gz VXQBATYBJPWXSC-JGCGQSQUSA-N 0 3 597.506 7.017 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1Cl ZINC000084653498 562746892 /nfs/dbraw/zinc/74/68/92/562746892.db2.gz VXQBATYBJPWXSC-YTTGMZPUSA-N 0 3 597.506 7.017 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4ccc(-c5cncnc5)cc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084672507 562748797 /nfs/dbraw/zinc/74/87/97/562748797.db2.gz GIDNAZYCGIBNKS-JGCGQSQUSA-N 0 3 563.061 6.364 1 0 KKAFHN CN1CCN(Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CN7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687443 562748893 /nfs/dbraw/zinc/74/88/93/562748893.db2.gz GVZBBFFCPVRNJF-UHFFFAOYSA-N 0 3 588.756 5.825 1 0 KKAFHN CN1CCN(CCc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CCN7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687444 562748918 /nfs/dbraw/zinc/74/89/18/562748918.db2.gz UMRVVNFCWQZROS-UHFFFAOYSA-N 0 3 616.810 5.910 1 0 KKAFHN COc1cccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c32)c1 ZINC000084731763 562751758 /nfs/dbraw/zinc/75/17/58/562751758.db2.gz XMSTXAFMIGLWTF-VWLOTQADSA-N 0 3 513.642 5.366 1 0 KKAFHN CCCC[C@@H](CN1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084759392 562752904 /nfs/dbraw/zinc/75/29/04/562752904.db2.gz MNYSWZUJUHSRKV-QFIPXVFZSA-N 0 3 507.458 5.969 1 0 KKAFHN CN1CCN(Cc2ccc(OCc3cccc(COc4ccc(CN5CCN(C)CC5)cc4I)c3)c(I)c2)CC1 ZINC000095536958 562754309 /nfs/dbraw/zinc/75/43/09/562754309.db2.gz QEFGWPQGVGALPW-UHFFFAOYSA-N 0 3 766.506 5.549 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095539245 562754933 /nfs/dbraw/zinc/75/49/33/562754933.db2.gz QCUBIVMFCWHQOX-QRIZJJBVSA-N 0 3 764.074 6.430 3 0 KKAFHN [NH2+]=C([N-]C(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000095540667 562755899 /nfs/dbraw/zinc/75/58/99/562755899.db2.gz PMLFMHBLGQXOCS-KXQOOQHDSA-N 0 3 790.962 5.336 1 0 KKAFHN COC(=O)c1ccccc1OCCCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095545712 562758197 /nfs/dbraw/zinc/75/81/97/562758197.db2.gz OFMHVSNETOZSQH-QZNUWAOFSA-N 0 3 802.969 7.477 1 0 KKAFHN CCCCCC[P@@](=O)(COc1ccc(CCN(C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548887 562759588 /nfs/dbraw/zinc/75/95/88/562759588.db2.gz HGLRSGVEGXDYFV-XVBHLXBKSA-N 0 3 819.937 6.583 1 0 KKAFHN CCN1CCN(C[C@H]2S[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550406 562760164 /nfs/dbraw/zinc/76/01/64/562760164.db2.gz VXILBVIYBFDZND-QIKUIUABSA-N 0 3 760.752 6.417 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553371 562760923 /nfs/dbraw/zinc/76/09/23/562760923.db2.gz ATLHHAOOYRUXSA-NWMUMVKVSA-N 0 3 801.053 6.126 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000095554835 562761449 /nfs/dbraw/zinc/76/14/49/562761449.db2.gz KVJZHYGKVHFRKK-JBENSDGMSA-N 0 3 650.838 6.053 1 0 KKAFHN CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000095556767 562761850 /nfs/dbraw/zinc/76/18/50/562761850.db2.gz KBOAFLWJZWAUKP-JOCHJYFZSA-N 0 3 612.851 5.445 1 0 KKAFHN COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 ZINC000095561403 562763392 /nfs/dbraw/zinc/76/33/92/562763392.db2.gz VDCBDIRJDJYCIZ-UHFFFAOYSA-N 0 3 541.139 6.098 1 0 KKAFHN Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000095565795 562764705 /nfs/dbraw/zinc/76/47/05/562764705.db2.gz UVWGOHYOGNDDQS-ACXCVDCASA-N 0 3 561.604 5.021 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095565960 562764775 /nfs/dbraw/zinc/76/47/75/562764775.db2.gz HMCLAGFKTYIJCB-LOTJKCTMSA-N 0 3 648.726 6.784 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095566134 562764788 /nfs/dbraw/zinc/76/47/88/562764788.db2.gz DETSJJCDIRAXSN-DOBRQBTGSA-N 0 3 622.766 6.404 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566368 562764964 /nfs/dbraw/zinc/76/49/64/562764964.db2.gz MLZGHAQZJXEDIV-STZBQRKKSA-N 0 3 636.793 6.287 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095566981 562765429 /nfs/dbraw/zinc/76/54/29/562765429.db2.gz HOPYMWLRLXEYET-FBDLJDKSSA-N 0 3 708.816 5.175 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567429 562765839 /nfs/dbraw/zinc/76/58/39/562765839.db2.gz BYLIWFZGYMHZPB-XUKQSAIQSA-N 0 3 674.764 7.297 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095568105 562766356 /nfs/dbraw/zinc/76/63/56/562766356.db2.gz NDWKUNXUJXBMPH-YJYIJQSESA-N 0 3 636.749 6.078 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095568325 562766521 /nfs/dbraw/zinc/76/65/21/562766521.db2.gz OYNIYJJSCYRIFI-QAJXPZEFSA-N 0 3 666.775 6.133 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095569049 562767133 /nfs/dbraw/zinc/76/71/33/562767133.db2.gz DEMCBGNJFOTASI-HQLBTAIYSA-N 0 3 638.589 5.214 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095569111 562767180 /nfs/dbraw/zinc/76/71/80/562767180.db2.gz BRPKOIUAXBFUAW-SFXKCFQESA-N 0 3 622.766 6.358 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095569727 562767603 /nfs/dbraw/zinc/76/76/03/562767603.db2.gz MWZZJLSSBGSNND-UVNCRYBCSA-N 0 3 614.787 6.285 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095569766 562767685 /nfs/dbraw/zinc/76/76/85/562767685.db2.gz APCAUJZEWHRTOX-KDQDRUBRSA-N 0 3 658.799 7.628 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095570210 562768052 /nfs/dbraw/zinc/76/80/52/562768052.db2.gz NHGHJDDGJPIKGB-GNMOFYLKSA-N 0 3 590.687 5.512 1 0 KKAFHN CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570330 562768133 /nfs/dbraw/zinc/76/81/33/562768133.db2.gz SRAYVMPNBAVWRU-ZYADHFCISA-N 0 3 646.027 6.761 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095570428 562768220 /nfs/dbraw/zinc/76/82/20/562768220.db2.gz QDRBVCQGVAHXBS-RNDKRWLGSA-N 0 3 641.813 5.392 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095570653 562768356 /nfs/dbraw/zinc/76/83/56/562768356.db2.gz CFABTZAAJDECGO-NVOANOBXSA-N 0 3 628.814 6.214 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570706 562768460 /nfs/dbraw/zinc/76/84/60/562768460.db2.gz FUZWWGXSJONWBM-VKIDHGPPSA-N 0 3 652.636 6.720 1 0 KKAFHN CC(=O)N[C@@H](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572519 562769430 /nfs/dbraw/zinc/76/94/30/562769430.db2.gz PIKUTRPQMRVSAL-KMDXXIMOSA-N 0 3 567.624 5.152 1 0 KKAFHN CC(=O)N[C@@H](Cc1ccc(OC(F)F)c(OC(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577505 562770999 /nfs/dbraw/zinc/77/09/99/562770999.db2.gz AGUOMKYLIBUMLE-RJGXRXQPSA-N 0 3 597.650 5.317 1 0 KKAFHN Nc1cccc2c3c([nH]c21)[C@@H]1Oc2c4c(ccc2OCCc2ccccc2)C[C@H]2N(CC5CC5)CC[C@]41[C@@]2(O)C3 ZINC000095578268 562771214 /nfs/dbraw/zinc/77/12/14/562771214.db2.gz HXOIETBHRZNHME-WDJKZLNSSA-N 0 3 533.672 5.071 1 0 KKAFHN COc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1-c1cccc(OC(C)=O)c1 ZINC000095583388 562772934 /nfs/dbraw/zinc/77/29/34/562772934.db2.gz VJTXXXJLUNESHV-UHFFFAOYSA-N 0 3 556.615 5.428 1 0 KKAFHN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095587339 562774263 /nfs/dbraw/zinc/77/42/63/562774263.db2.gz ZBOYECSUZSRATG-UHFFFAOYSA-N 0 3 611.233 10.637 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)c1 ZINC000095587684 562774434 /nfs/dbraw/zinc/77/44/34/562774434.db2.gz MHNXYKUQICQQIS-IOWSJCHKSA-N 0 3 559.751 5.184 1 0 KKAFHN CCN1CCN(c2cc(C)nc(Nc3ccc(OCCCCCOc4ccc(Nc5nc(C)cc(N6CCN(CC)CC6)n5)cc4)cc3)n2)CC1 ZINC000095594577 562776494 /nfs/dbraw/zinc/77/64/94/562776494.db2.gz PYXKQPXCRBLSHO-UHFFFAOYSA-N 0 3 694.929 6.283 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095595902 562776835 /nfs/dbraw/zinc/77/68/35/562776835.db2.gz IOXSETITQBUCMZ-QFIPXVFZSA-N 0 3 532.637 5.508 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095598738 562777478 /nfs/dbraw/zinc/77/74/78/562777478.db2.gz KHFPDWFEACXBKS-AWYDNWMNSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095598738 562777479 /nfs/dbraw/zinc/77/74/79/562777479.db2.gz KHFPDWFEACXBKS-AWYDNWMNSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095598829 562777552 /nfs/dbraw/zinc/77/75/52/562777552.db2.gz XJOPVLQFFGEWNL-DDFCPOBKSA-N 0 3 597.678 5.168 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095598872 562777640 /nfs/dbraw/zinc/77/76/40/562777640.db2.gz PIPSXTOHKBCCEO-YUKNNVIKSA-N 0 3 702.790 7.416 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095599529 562778116 /nfs/dbraw/zinc/77/81/16/562778116.db2.gz PIPSXTOHKBCCEO-GJWZSCNASA-N 0 3 702.790 7.416 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095599830 562778377 /nfs/dbraw/zinc/77/83/77/562778377.db2.gz ZWEDFXZUTGJBMW-ZTNZZFSWSA-N 0 3 593.690 6.354 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600188 562778712 /nfs/dbraw/zinc/77/87/12/562778712.db2.gz QMCFBRPLMVFDBX-BEAGFIRGSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600188 562778713 /nfs/dbraw/zinc/77/87/13/562778713.db2.gz QMCFBRPLMVFDBX-BEAGFIRGSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095600519 562779001 /nfs/dbraw/zinc/77/90/01/562779001.db2.gz IQSVNIDGIMJPQN-NWDSAUNBSA-N 0 3 592.740 5.282 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095600700 562779170 /nfs/dbraw/zinc/77/91/70/562779170.db2.gz ZGZURALGAMDSDO-VUYBWUDLSA-N 0 3 690.848 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095600853 562779261 /nfs/dbraw/zinc/77/92/61/562779261.db2.gz ZGZURALGAMDSDO-GHVZQYPWSA-N 0 3 690.848 7.087 1 0 KKAFHN COc1ccc(-c2sc(-c3ccc(OC)cc3)c3c2C(=O)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095602141 562779962 /nfs/dbraw/zinc/77/99/62/562779962.db2.gz AQKVJFPREFBXIV-UHFFFAOYSA-N 0 3 511.643 6.761 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095602346 562780039 /nfs/dbraw/zinc/78/00/39/562780039.db2.gz ZGZURALGAMDSDO-IAYPMUAMSA-N 0 3 690.848 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095603371 562780527 /nfs/dbraw/zinc/78/05/27/562780527.db2.gz AIDUNWUCHWLKPO-BBUMLKAKSA-N 0 3 650.776 6.007 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603715 562780628 /nfs/dbraw/zinc/78/06/28/562780628.db2.gz VYACBIYDVUCBDQ-CLWPXKJUSA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603715 562780629 /nfs/dbraw/zinc/78/06/29/562780629.db2.gz VYACBIYDVUCBDQ-CLWPXKJUSA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095605166 562781458 /nfs/dbraw/zinc/78/14/58/562781458.db2.gz CBQVGICLIDWTFD-HNMNOHOESA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095605166 562781459 /nfs/dbraw/zinc/78/14/59/562781459.db2.gz CBQVGICLIDWTFD-HNMNOHOESA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095605166 562781460 /nfs/dbraw/zinc/78/14/60/562781460.db2.gz CBQVGICLIDWTFD-HNMNOHOESA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095605640 562781643 /nfs/dbraw/zinc/78/16/43/562781643.db2.gz MXAUBRBUARVCOA-DKGMKSHISA-N 0 3 598.666 5.630 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3ncc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787325 /nfs/dbraw/zinc/78/73/25/562787325.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 0 3 504.650 5.012 1 0 KKAFHN COC(=O)c1ccccc1OCCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095610455 562784426 /nfs/dbraw/zinc/78/44/26/562784426.db2.gz ZFPPUHTZTYNOKP-DXQCBLCSSA-N 0 3 788.942 7.087 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3ncc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787326 /nfs/dbraw/zinc/78/73/26/562787326.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 0 3 504.650 5.012 1 0 KKAFHN CCOc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(OC)c(OC)c3)C2)cc(OCC)c1OCC ZINC000095611006 562784738 /nfs/dbraw/zinc/78/47/38/562784738.db2.gz GMDILGHWZUFMEQ-QZNUWAOFSA-N 0 3 806.976 8.206 1 0 KKAFHN COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)CN(CC2CCCCC2)[C@H]1CO ZINC000095666412 562788232 /nfs/dbraw/zinc/78/82/32/562788232.db2.gz XKHKGEXEYHPOPX-VWLOTQADSA-N 0 3 508.732 5.107 1 0 KKAFHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000095613113 562786102 /nfs/dbraw/zinc/78/61/02/562786102.db2.gz JHDFCRWAMRCRCA-CFVKEPQWSA-N 0 3 743.827 5.653 1 0 KKAFHN COC[C@H](C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665570 562788168 /nfs/dbraw/zinc/78/81/68/562788168.db2.gz HANODCRUSHRKJT-RROHFTNDSA-N 0 3 608.739 6.132 1 0 KKAFHN CC(=O)Nc1ccc(OC[C@H](O)CN(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670338 562788235 /nfs/dbraw/zinc/78/82/35/562788235.db2.gz GLCDSMRSFSVQSW-SQHAQQRYSA-N 0 3 516.560 5.546 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000095670083 562788244 /nfs/dbraw/zinc/78/82/44/562788244.db2.gz AJUAJKZVPJDBSA-WIOPSUGQSA-N 0 3 538.404 6.350 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000095670063 562788250 /nfs/dbraw/zinc/78/82/50/562788250.db2.gz CZVLXTAHCSHXFS-WIOPSUGQSA-N 0 3 527.505 6.606 1 0 KKAFHN CC(=O)Nc1ccc(OC[C@@H](O)CN(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670340 562788300 /nfs/dbraw/zinc/78/83/00/562788300.db2.gz GLCDSMRSFSVQSW-IGKIAQTJSA-N 0 3 516.560 5.546 1 0 KKAFHN CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095680149 562788378 /nfs/dbraw/zinc/78/83/78/562788378.db2.gz YJCJPPNKEWBJHB-DQCZWYHMSA-N 0 3 572.731 5.555 1 0 KKAFHN COc1ccc(CN2C[C@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680093 562788394 /nfs/dbraw/zinc/78/83/94/562788394.db2.gz AYFIOZIDKGBGDF-IHMCZWCLSA-N 0 3 602.757 5.563 1 0 KKAFHN COc1ccc(CN2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@H]2C)cc1 ZINC000095692023 562788507 /nfs/dbraw/zinc/78/85/07/562788507.db2.gz AXRPYCYFPRGHTO-IEOSBIPESA-N 0 3 602.757 5.563 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095773770 562789016 /nfs/dbraw/zinc/78/90/16/562789016.db2.gz GFVNWDBMZVYSCS-RXEQZPOXSA-N 0 3 694.833 5.455 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095833204 562789347 /nfs/dbraw/zinc/78/93/47/562789347.db2.gz RPCBUSZJYVBWAG-UNTHUGQZSA-N 0 3 650.801 6.693 1 0 KKAFHN COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095837918 562789446 /nfs/dbraw/zinc/78/94/46/562789446.db2.gz JQPAJQARRJIYSV-XIWHWFKQSA-N 0 3 622.766 6.358 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095853129 562789607 /nfs/dbraw/zinc/78/96/07/562789607.db2.gz VESPUZANCIEHEA-NIAOJTHTSA-N 0 3 636.598 5.155 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095869023 562789899 /nfs/dbraw/zinc/78/98/99/562789899.db2.gz HQAZDFNOZXZGFG-IEOSBIPESA-N 0 3 540.626 5.862 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868915 562789918 /nfs/dbraw/zinc/78/99/18/562789918.db2.gz ZWEDFXZUTGJBMW-IQLGONJTSA-N 0 3 593.690 6.354 1 0 KKAFHN CN(C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C1 ZINC000096172261 562791296 /nfs/dbraw/zinc/79/12/96/562791296.db2.gz HVEVWNBOUFTSIY-QPJJXVBHSA-N 0 3 538.048 5.766 1 0 KKAFHN O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174098 562791725 /nfs/dbraw/zinc/79/17/25/562791725.db2.gz MGXIGLLTWMPQBT-UHFFFAOYSA-N 0 3 560.637 5.979 1 0 KKAFHN O=C(Nc1ccc2c(c1)CCO2)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174107 562791734 /nfs/dbraw/zinc/79/17/34/562791734.db2.gz LXHXJDAIKHQLDZ-UHFFFAOYSA-N 0 3 584.684 5.774 1 0 KKAFHN CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCCCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 ZINC000096174169 562791770 /nfs/dbraw/zinc/79/17/70/562791770.db2.gz OWNWWIIFZNDWJA-UHFFFAOYSA-N 0 3 619.763 5.836 1 0 KKAFHN C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258148 562792826 /nfs/dbraw/zinc/79/28/26/562792826.db2.gz BCORTDXDARSESF-MRXNPFEDSA-N 0 3 518.416 6.199 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269471 562792938 /nfs/dbraw/zinc/79/29/38/562792938.db2.gz KZCQJHOZUQOHSD-RUZDIDTESA-N 0 3 628.745 7.399 1 0 KKAFHN C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269476 562792943 /nfs/dbraw/zinc/79/29/43/562792943.db2.gz JBDKIZMXCKQPEO-NDEPHWFRSA-N 0 3 670.826 8.569 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269475 562792966 /nfs/dbraw/zinc/79/29/66/562792966.db2.gz VGCARQWJPMTGRS-GDLZYMKVSA-N 0 3 684.853 8.959 1 0 KKAFHN C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269486 562792986 /nfs/dbraw/zinc/79/29/86/562792986.db2.gz BHBIPNYAHFZVSM-SANMLTNESA-N 0 3 551.750 8.592 1 0 KKAFHN CN(CCN1CCCC1)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269796 562793067 /nfs/dbraw/zinc/79/30/67/562793067.db2.gz QBPBLTQPOATORI-UHFFFAOYSA-N 0 3 731.864 7.065 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271291 562793750 /nfs/dbraw/zinc/79/37/50/562793750.db2.gz LLTBLDGGEZETHJ-UHFFFAOYSA-N 0 3 668.326 9.206 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271289 562793763 /nfs/dbraw/zinc/79/37/63/562793763.db2.gz BSMCSGLJFKNIIZ-UHFFFAOYSA-N 0 3 640.272 8.426 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271297 562793779 /nfs/dbraw/zinc/79/37/79/562793779.db2.gz JIONKALOKBZGKG-UHFFFAOYSA-N 0 3 598.191 7.256 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 ZINC000096285343 562795520 /nfs/dbraw/zinc/79/55/20/562795520.db2.gz BLLNKFHFWKLHQV-LXFBAYGMSA-N 0 3 575.157 5.399 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 ZINC000096285366 562795532 /nfs/dbraw/zinc/79/55/32/562795532.db2.gz VLCNIWNAFVRZRX-LXFBAYGMSA-N 0 3 575.157 5.399 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285351 562795534 /nfs/dbraw/zinc/79/55/34/562795534.db2.gz GLZGIZYROAGFSY-GIGWZHCTSA-N 0 3 580.217 6.384 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000096285346 562795536 /nfs/dbraw/zinc/79/55/36/562795536.db2.gz QQPGVUMKWQYOEK-OUTSHDOLSA-N 0 3 574.169 6.004 1 0 KKAFHN Cc1cc(C)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285376 562795587 /nfs/dbraw/zinc/79/55/87/562795587.db2.gz FRBJEUDAEXXYFS-QABMSTFYSA-N 0 3 560.787 5.495 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285402 562795633 /nfs/dbraw/zinc/79/56/33/562795633.db2.gz UPDSQDKCTCPMPO-LXFBAYGMSA-N 0 3 582.189 5.230 1 0 KKAFHN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(C1CCN(Cc2ccccc2)CC1)C3 ZINC000096907148 562799051 /nfs/dbraw/zinc/79/90/51/562799051.db2.gz GZOSYQCIDVYFBV-XXRSETISSA-N 0 3 624.954 10.403 1 0 KKAFHN CCN(CC)CCNCc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909368 562799563 /nfs/dbraw/zinc/79/95/63/562799563.db2.gz OHXFMJIMZXCCLB-UHFFFAOYSA-N 0 3 719.853 6.969 1 0 KKAFHN CN1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC(F)(F)C3)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909792 562799770 /nfs/dbraw/zinc/79/97/70/562799770.db2.gz ZXMABQSFPFLMFD-UHFFFAOYSA-N 0 3 540.614 5.806 1 0 KKAFHN C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)cn(CCN(CC)CC)c1=O ZINC000096909879 562799795 /nfs/dbraw/zinc/79/97/95/562799795.db2.gz WWCWIALQFDYNFP-XJSAQWGRSA-N 0 3 532.725 6.272 1 0 KKAFHN O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)CN3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929485 562803042 /nfs/dbraw/zinc/80/30/42/562803042.db2.gz NGQMIUZGTLTNIT-QFIPXVFZSA-N 0 3 514.553 5.360 1 0 KKAFHN c1ccc2sc(N[C@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938105 562804432 /nfs/dbraw/zinc/80/44/32/562804432.db2.gz NLLOVMZXCOWCHJ-PMERELPUSA-N 0 3 513.707 7.303 1 0 KKAFHN Fc1ccc2nc(N[C@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)sc2c1 ZINC000096938111 562804447 /nfs/dbraw/zinc/80/44/47/562804447.db2.gz ATWPFZQKUBRXJP-PMERELPUSA-N 0 3 531.697 7.442 1 0 KKAFHN COC(=O)[C@](CCCN1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265087 562822069 /nfs/dbraw/zinc/82/20/69/562822069.db2.gz VJNSKFRRVHJJRE-MHZLTWQESA-N 0 3 500.477 6.094 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)C[C@@](N)(C(=O)N2CCCC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101086379 562809069 /nfs/dbraw/zinc/80/90/69/562809069.db2.gz HPUOJOVHXLUXCC-VEYWIMSWSA-N 0 3 514.510 5.854 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101143965 562809464 /nfs/dbraw/zinc/80/94/64/562809464.db2.gz IZTNHWMAUPLTML-ASZYYYDVSA-N 0 3 510.037 5.676 1 0 KKAFHN Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193585 562809853 /nfs/dbraw/zinc/80/98/53/562809853.db2.gz HTVPBKMQDVVVRD-MNHGUUTPSA-N 0 3 598.738 7.041 1 0 KKAFHN Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193585 562809854 /nfs/dbraw/zinc/80/98/54/562809854.db2.gz HTVPBKMQDVVVRD-MNHGUUTPSA-N 0 3 598.738 7.041 1 0 KKAFHN COCCCN1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367537 562810433 /nfs/dbraw/zinc/81/04/33/562810433.db2.gz SGQJPPQXKVUHGS-PSWAGMNNSA-N 0 3 616.170 5.752 1 0 KKAFHN COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3NCC2)N(C)CC5 ZINC000101505144 562811090 /nfs/dbraw/zinc/81/10/90/562811090.db2.gz AVICOTFUCGWABJ-UIOOFZCWSA-N 0 3 548.639 6.606 1 0 KKAFHN CCN1CCC[C@H]1CNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696220 562811844 /nfs/dbraw/zinc/81/18/44/562811844.db2.gz NTPDWLWNIDHMMF-QFIPXVFZSA-N 0 3 596.753 5.677 1 0 KKAFHN O=C(CNCCN1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696483 562811901 /nfs/dbraw/zinc/81/19/01/562811901.db2.gz PORIPDLEWQANGE-UHFFFAOYSA-N 0 3 596.753 5.679 1 0 KKAFHN O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000103135082 562814447 /nfs/dbraw/zinc/81/44/47/562814447.db2.gz HFZJXDJGOXFFIC-HSZRJFAPSA-N 0 3 501.030 5.715 1 0 KKAFHN CN(C)CCCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103165497 562814614 /nfs/dbraw/zinc/81/46/14/562814614.db2.gz PXPLKMFHHHUTQC-UHFFFAOYSA-N 0 3 539.734 5.909 1 0 KKAFHN CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196191 562815845 /nfs/dbraw/zinc/81/58/45/562815845.db2.gz JKNSMKIIYWRJFW-SSEXGKCCSA-N 0 3 620.816 5.093 1 0 KKAFHN CCN(C(=O)NCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196175 562815850 /nfs/dbraw/zinc/81/58/50/562815850.db2.gz QNNMDPWUCCMRER-GDLZYMKVSA-N 0 3 562.780 5.177 1 0 KKAFHN CCCN(C(=O)c1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198944 562815989 /nfs/dbraw/zinc/81/59/89/562815989.db2.gz QQAHRLRNHDSDDK-GDLZYMKVSA-N 0 3 547.765 5.498 1 0 KKAFHN Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103230102 562818058 /nfs/dbraw/zinc/81/80/58/562818058.db2.gz ZEIFJJKBAHPYGV-RJRUJURLSA-N 0 3 502.470 7.392 1 0 KKAFHN COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(F)cc3)N1[C@@H]2c1ccccc1OC ZINC000103230117 562818139 /nfs/dbraw/zinc/81/81/39/562818139.db2.gz FVKWBAHPUAWUCW-VYMJWTMMSA-N 0 3 511.622 6.242 1 0 KKAFHN Clc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230139 562818143 /nfs/dbraw/zinc/81/81/43/562818143.db2.gz WCDYIAVPTZFADG-MSPUWCJJSA-N 0 3 536.915 8.046 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccc(F)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240429 562819432 /nfs/dbraw/zinc/81/94/32/562819432.db2.gz UYJHSEVBDADVIO-DHUJRADRSA-N 0 3 604.774 5.927 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)nc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103254059 562820618 /nfs/dbraw/zinc/82/06/18/562820618.db2.gz BXAYHKKPWXVTLG-MKNBMTNBSA-N 0 3 614.505 5.024 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254004 562820650 /nfs/dbraw/zinc/82/06/50/562820650.db2.gz UOVSZRTTWLJPHE-RDAVAYNZSA-N 0 3 619.546 5.691 1 0 KKAFHN CCN(CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000103299661 562824881 /nfs/dbraw/zinc/82/48/81/562824881.db2.gz XPQCSVSGABSVCD-CCEZHUSRSA-N 0 3 503.683 7.344 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)CN(C)C4 ZINC000105448230 562825214 /nfs/dbraw/zinc/82/52/14/562825214.db2.gz ZJMYHEVTMWXXMA-ABYGYWHVSA-N 0 3 608.735 6.859 1 0 KKAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(OCCO)cc2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000113334821 562826474 /nfs/dbraw/zinc/82/64/74/562826474.db2.gz JCZWYDYWXVXZMQ-NCRFVDKVSA-N 0 3 600.518 5.893 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2OCC3)C1 ZINC000114100312 562827745 /nfs/dbraw/zinc/82/77/45/562827745.db2.gz SVZJPUWYVAXFNM-XMMPIXPASA-N 0 3 513.078 5.333 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)NCCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000114601106 562828365 /nfs/dbraw/zinc/82/83/65/562828365.db2.gz QVJKMHVHKSTLSO-UHFFFAOYSA-N 0 3 536.094 6.082 1 0 KKAFHN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN(C)C)cc3c(Nc3ccc4c(cnn4C)c3)n2)c1 ZINC000114770285 562828479 /nfs/dbraw/zinc/82/84/79/562828479.db2.gz QEQGYYKHVSFREH-UHFFFAOYSA-N 0 3 523.641 5.606 1 0 KKAFHN CN1CC[C@@H](c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CCCC7)c4CO)cn(C)c3=O)nc2)C1 ZINC000116053915 562829135 /nfs/dbraw/zinc/82/91/35/562829135.db2.gz MPJHYCDNGHGKCK-OAQYLSRUSA-N 0 3 613.759 5.385 1 0 KKAFHN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118797933 562830683 /nfs/dbraw/zinc/83/06/83/562830683.db2.gz WKPFGADMDMLPOJ-TXDYMCHWSA-N 0 3 604.191 6.866 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cccc7ccccc76)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889759 562831635 /nfs/dbraw/zinc/83/16/35/562831635.db2.gz ZCGZFRFSXBJLMT-LTDHPMEISA-N 0 3 627.870 5.332 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000138445547 562831895 /nfs/dbraw/zinc/83/18/95/562831895.db2.gz JNPQRCBWRFVILY-UHFFFAOYSA-N 0 3 569.584 5.301 1 0 KKAFHN C[C@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000142004782 562833881 /nfs/dbraw/zinc/83/38/81/562833881.db2.gz PIQWOQHEODPFLM-CLJLJLNGSA-N 0 3 561.782 8.868 1 0 KKAFHN CCOc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000143105041 562834629 /nfs/dbraw/zinc/83/46/29/562834629.db2.gz YUTOVSQDRRHWQM-UHFFFAOYSA-N 0 3 537.712 5.239 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc([C@H]3CCCN3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144288326 562836048 /nfs/dbraw/zinc/83/60/48/562836048.db2.gz LGSGFTMLNOAYCK-GDLZYMKVSA-N 0 3 504.634 6.578 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146007186 562837910 /nfs/dbraw/zinc/83/79/10/562837910.db2.gz HZMAWNDVYWVYAC-MRXNPFEDSA-N 0 3 584.599 5.011 1 0 KKAFHN CCNC(=O)N1CCC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000147043760 562839072 /nfs/dbraw/zinc/83/90/72/562839072.db2.gz MCIIAYUIIHWTEG-IUXWYWOJSA-N 0 3 618.581 5.193 1 0 KKAFHN COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(CN5CCCCC5)nc4)n[nH]c3c1)C(=O)N2 ZINC000148020392 562839917 /nfs/dbraw/zinc/83/99/17/562839917.db2.gz LLWIMNNGCHBSEF-OTQKXZBHSA-N 0 3 505.622 5.500 1 0 KKAFHN CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148156630 562840371 /nfs/dbraw/zinc/84/03/71/562840371.db2.gz NCCMSZWETHBHSM-UHFFFAOYSA-N 0 3 595.674 5.587 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148164593 562840415 /nfs/dbraw/zinc/84/04/15/562840415.db2.gz NQHMFQYOTZKYKX-UHFFFAOYSA-N 0 3 580.615 5.284 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148211743 562840571 /nfs/dbraw/zinc/84/05/71/562840571.db2.gz BRMBPISALWWOLE-UHFFFAOYSA-N 0 3 512.662 5.019 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CCN(CC6CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148282145 562840835 /nfs/dbraw/zinc/84/08/35/562840835.db2.gz XBQTXWZSPWRNCZ-UHFFFAOYSA-N 0 3 596.589 5.114 1 0 KKAFHN COc1cc(N2CCCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148753009 562841784 /nfs/dbraw/zinc/84/17/84/562841784.db2.gz MQCNUAFNUAISQK-UHFFFAOYSA-N 0 3 514.998 5.016 1 0 KKAFHN CN1CCN(C[C@H](O)COc2c(Br)cc(C3(c4cc(Br)c(OC[C@@H](O)CN5CCN(C)CC5)c(Br)c4)CCCC3)cc2Br)CC1 ZINC000150572102 562845136 /nfs/dbraw/zinc/84/51/36/562845136.db2.gz FRIJBBZZVJQGPH-UIOOFZCWSA-N 0 3 882.371 5.571 1 0 KKAFHN C[C@]12C[C@H](c3ccc(OCCn4cc(CNC5CC(C)(C)N(O)C(C)(C)C5)nn4)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000150585542 562845795 /nfs/dbraw/zinc/84/57/95/562845795.db2.gz VBFKUAULYFUPNT-ORDYWNQUSA-N 0 3 642.865 6.130 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000150591258 562846207 /nfs/dbraw/zinc/84/62/07/562846207.db2.gz LBTNVOYZSMLSOC-VKKJCGISSA-N 0 3 700.877 6.224 1 0 KKAFHN COc1ccc(C2=NN(CCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000150591299 562846227 /nfs/dbraw/zinc/84/62/27/562846227.db2.gz YPPWGDDMIBSRAX-UYIHNIKISA-N 0 3 686.850 5.834 1 0 KKAFHN CCN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)CC)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150604351 562847666 /nfs/dbraw/zinc/84/76/66/562847666.db2.gz ASFUWJHTRWCQLF-IYTFMMMVSA-N 0 3 775.014 8.847 1 0 KKAFHN CCC(=O)[C@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)(C(C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](OC(=O)CC(C)C)[C@@H]2C)c(C)c(=O)c1C ZINC000150611895 562848540 /nfs/dbraw/zinc/84/85/40/562848540.db2.gz UPRGDUGFSIIFOF-SIJDCANCSA-N 0 3 642.830 6.696 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCN(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000165276863 562850077 /nfs/dbraw/zinc/85/00/77/562850077.db2.gz WJJHQYYOEWHKTO-DEOSSOPVSA-N 0 3 651.713 6.069 1 0 KKAFHN CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(C)cn21 ZINC000166664846 562850434 /nfs/dbraw/zinc/85/04/34/562850434.db2.gz LFRPXRBPJQZTMI-UHFFFAOYSA-N 0 3 527.636 5.193 1 0 KKAFHN Cc1cn2c(n1)nc(-c1ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc1)c(-c1ccccc1)c2NC(C)C ZINC000166683912 562850452 /nfs/dbraw/zinc/85/04/52/562850452.db2.gz KUPCIMLXVLSZBL-UHFFFAOYSA-N 0 3 555.690 5.972 1 0 KKAFHN CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](NC(=O)c3cn4cc(F)ccc4n3)CC2)c1 ZINC000167959125 562851132 /nfs/dbraw/zinc/85/11/32/562851132.db2.gz SJGSDOWJAQWCHC-WMPKNSHKSA-N 0 3 640.691 5.705 1 0 KKAFHN Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn2c1Br ZINC000168089188 562851259 /nfs/dbraw/zinc/85/12/59/562851259.db2.gz AWYGAVYSWRPYNI-UHFFFAOYSA-N 0 3 591.517 6.222 1 0 KKAFHN CN1CCC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)CC1 ZINC000168349805 562851311 /nfs/dbraw/zinc/85/13/11/562851311.db2.gz PVZZWZYWXOLCLH-VPEWXMBWSA-N 0 3 539.664 5.507 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@H]1CN1CC[C@@H](O)C1 ZINC000169293599 562852090 /nfs/dbraw/zinc/85/20/90/562852090.db2.gz HLMMHUFTDWSTBP-FCHUYYIVSA-N 0 3 504.631 5.159 1 0 KKAFHN CN(C)C(=O)NCCCN(C)C1=Nc2ccccc2[C@@H](CC(=O)NCc2ccc(F)cc2)N1c1ccc(-c2ccccc2)cc1 ZINC000169307069 562853692 /nfs/dbraw/zinc/85/36/92/562853692.db2.gz UCEDESPOEVHPGY-MGBGTMOVSA-N 0 3 606.746 6.341 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCCC2)cc1 ZINC000169312704 562855416 /nfs/dbraw/zinc/85/54/16/562855416.db2.gz HYJHCASGUGVQPT-UHFFFAOYSA-N 0 3 563.742 6.862 1 0 KKAFHN CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1 ZINC000169318814 562856120 /nfs/dbraw/zinc/85/61/20/562856120.db2.gz QZGJVUOMYSCIKX-BUCZBDGVSA-N 0 3 543.752 6.603 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334053 562859440 /nfs/dbraw/zinc/85/94/40/562859440.db2.gz ARWQGXVGACZQBH-DEOSSOPVSA-N 0 3 575.886 8.380 1 0 KKAFHN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343518 562861183 /nfs/dbraw/zinc/86/11/83/562861183.db2.gz QXBBLTVHGIMTJE-PTKZXZCGSA-N 0 3 699.814 8.614 1 0 KKAFHN O=C(CCCSc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000169346466 562861757 /nfs/dbraw/zinc/86/17/57/562861757.db2.gz ILYFQFQNUKYYHY-UHFFFAOYSA-N 0 3 561.698 7.370 1 0 KKAFHN CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCCN(C)C ZINC000169353305 562863442 /nfs/dbraw/zinc/86/34/42/562863442.db2.gz SAECJVQBEGICIO-FIRIVFDPSA-N 0 3 628.789 5.907 1 0 KKAFHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000169354586 562863668 /nfs/dbraw/zinc/86/36/68/562863668.db2.gz DUTXSEWRTZPJLR-IXQHYERASA-N 0 3 691.889 5.986 1 0 KKAFHN CCOC(=O)[C@H]1CCC[C@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700223 562867617 /nfs/dbraw/zinc/86/76/17/562867617.db2.gz KVGPVCYSGPUFTJ-SLXNBQQMSA-N 0 3 598.578 5.583 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(C)cc1C)CC2 ZINC000169702198 562868262 /nfs/dbraw/zinc/86/82/62/562868262.db2.gz MKRLEWWGGSREOD-UHFFFAOYSA-N 0 3 524.669 5.486 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cccc(C)c1Cl)CC2 ZINC000169702245 562868266 /nfs/dbraw/zinc/86/82/66/562868266.db2.gz PPYLFYCCTSGYBM-UHFFFAOYSA-N 0 3 545.087 5.831 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702252 562868272 /nfs/dbraw/zinc/86/82/72/562868272.db2.gz VAIAUKCZKJPKFB-SFHVURJKSA-N 0 3 572.113 5.433 1 0 KKAFHN CCN1CC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCOC)ccn3)cc2)C1 ZINC000169711614 562871052 /nfs/dbraw/zinc/87/10/52/562871052.db2.gz WWAMBZOLXABJNM-UHFFFAOYSA-N 0 3 557.651 5.103 1 0 KKAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CN(C(C)C)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711613 562871070 /nfs/dbraw/zinc/87/10/70/562871070.db2.gz SXCYLVKTHAGKTR-UHFFFAOYSA-N 0 3 571.678 5.491 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC([C@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000203798096 562874165 /nfs/dbraw/zinc/87/41/65/562874165.db2.gz GOXWPHHXBRESDW-KRWDZBQOSA-N 0 3 508.062 6.029 1 0 KKAFHN O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4)CC3)cc2N1 ZINC000206271242 562876409 /nfs/dbraw/zinc/87/64/09/562876409.db2.gz PRFXSTWAKKZDRM-UHFFFAOYSA-N 0 3 508.666 5.556 1 0 KKAFHN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c(C)c1C(=O)NCCN1CCCC1 ZINC000221843020 562879270 /nfs/dbraw/zinc/87/92/70/562879270.db2.gz MKVSYSYLVOKFBA-ITYLOYPMSA-N 0 3 534.664 5.111 1 0 KKAFHN Cc1ccc(Cl)cc1N1C(=O)c2nn(C3CCN(C)CC3)c(C(C)C)c2[C@H]1c1ccc(Cl)cc1C ZINC000224056270 562880211 /nfs/dbraw/zinc/88/02/11/562880211.db2.gz GNUPSFNBJBWYRB-HHHXNRCGSA-N 0 3 511.497 6.947 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101047 562880353 /nfs/dbraw/zinc/88/03/53/562880353.db2.gz ILSKQZCULNKRSM-WNSROMTISA-N 0 3 637.583 7.201 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101155 562880375 /nfs/dbraw/zinc/88/03/75/562880375.db2.gz ILSKQZCULNKRSM-QCBOHVIISA-N 0 3 637.583 7.201 1 0 KKAFHN CCOc1cc(OCC)cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c1 ZINC000299826398 562883864 /nfs/dbraw/zinc/88/38/64/562883864.db2.gz FXWZTYUATPUVDI-MUUNZHRXSA-N 0 3 571.640 5.189 1 0 KKAFHN COc1ccc([C@@H]2[C@@H](c3ccc([C@@H](O)c4ccc(OCCN5CCCC5)cc4)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000299829345 562884828 /nfs/dbraw/zinc/88/48/28/562884828.db2.gz TWJWRMVCNFZKDN-YAFWASLJSA-N 0 3 578.709 6.132 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3C)ccc2OC)c1 ZINC000299831128 562885468 /nfs/dbraw/zinc/88/54/68/562885468.db2.gz IWMLMUIBIYYAFM-UHFFFAOYSA-N 0 3 536.672 7.072 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299832209 562885820 /nfs/dbraw/zinc/88/58/20/562885820.db2.gz FKIGNRIKSXHZMX-UHFFFAOYSA-N 0 3 693.702 6.351 1 0 KKAFHN COc1ccc(-c2cc(-c3c4c(c(OC)c(C)c3O)[C@]3(C)C(=Cc5c(c(C)nn5-c5ccccc5)[C@H]3O)O4)[nH]n2)cc1 ZINC000299836911 562887314 /nfs/dbraw/zinc/88/73/14/562887314.db2.gz NYDLMDZQZHBIDP-SAIUNTKASA-N 0 3 562.626 6.007 1 0 KKAFHN COc1ccc(-c2cc(-c3c4c(c(OC)c(C)c3O)[C@]3(C)C(=Cc5c(c(C)nn5-c5ccccc5)[C@H]3O)O4)n[nH]2)cc1 ZINC000299836911 562887315 /nfs/dbraw/zinc/88/73/15/562887315.db2.gz NYDLMDZQZHBIDP-SAIUNTKASA-N 0 3 562.626 6.007 1 0 KKAFHN COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3ccccc3)ccc2OC)c1 ZINC000299839728 562888290 /nfs/dbraw/zinc/88/82/90/562888290.db2.gz SWHRRIABQQCXDH-UHFFFAOYSA-N 0 3 550.699 6.483 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c(=O)c3ccccc32)cc1F ZINC000299840533 562888590 /nfs/dbraw/zinc/88/85/90/562888590.db2.gz XYMHLMDLDHRKKO-UHFFFAOYSA-N 0 3 767.656 6.905 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(N)c1 ZINC000299840972 562888706 /nfs/dbraw/zinc/88/87/06/562888706.db2.gz XBQPKGWOUZNCQU-UHFFFAOYSA-N 0 3 507.634 6.337 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4C)cc3)ccc2OC)c1 ZINC000299841336 562888849 /nfs/dbraw/zinc/88/88/49/562888849.db2.gz ZHRXTJFXKWAZEQ-UHFFFAOYSA-N 0 3 536.672 7.072 1 0 KKAFHN CN(C)CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864794 562894181 /nfs/dbraw/zinc/89/41/81/562894181.db2.gz MVEOKWWWGIPPQA-XREYCITQSA-N 0 3 545.683 5.792 1 0 KKAFHN COc1cc2oc(-c3cccc(OCC(=O)NCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299865612 562894459 /nfs/dbraw/zinc/89/44/59/562894459.db2.gz NYWLZADYCPAMIA-UHFFFAOYSA-N 0 3 672.178 6.954 1 0 KKAFHN C[C@H](CN(C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299866178 562894590 /nfs/dbraw/zinc/89/45/90/562894590.db2.gz OQCFGGOXRNFFJG-KANMSUPUSA-N 0 3 545.683 5.790 1 0 KKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1cccc(C(=O)Nc3ccccc3N)c1)CC2 ZINC000299867034 562894759 /nfs/dbraw/zinc/89/47/59/562894759.db2.gz XIBREIKGGKRRBU-SANMLTNESA-N 0 3 581.669 5.360 1 0 KKAFHN CCN(CC)Cc1cccn1-c1cc(F)c(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1 ZINC000299867998 562894986 /nfs/dbraw/zinc/89/49/86/562894986.db2.gz ZCSFEPCPVMQOQW-KRWDZBQOSA-N 0 3 523.005 5.067 1 0 KKAFHN c1ccc2sc(SCCCCN3CCN(CCCCSc4nc5ccccc5s4)CC3)nc2c1 ZINC000473081274 562896598 /nfs/dbraw/zinc/89/65/98/562896598.db2.gz BNERDISSYMQSCF-UHFFFAOYSA-N 0 3 528.838 6.968 1 0 KKAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1 ZINC000473086724 562897079 /nfs/dbraw/zinc/89/70/79/562897079.db2.gz CNIWZQPSVDYFSY-UHFFFAOYSA-N 0 3 576.167 5.438 1 0 in-vitro KKAFHN CC(C)C[C@H]1CN2C(=CC3=NC[C@H](Cc4ccccc4)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1 ZINC000473109221 562898466 /nfs/dbraw/zinc/89/84/66/562898466.db2.gz RDAXOAHVMDAOHY-CPCREDONSA-N 0 3 534.748 5.759 1 0 KKAFHN CCN(CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473114018 562898853 /nfs/dbraw/zinc/89/88/53/562898853.db2.gz LHGFBGVOLWJYNC-UHFFFAOYSA-N 0 3 533.621 5.785 1 0 KKAFHN COc1ccccc1CN(C)CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473114387 562898950 /nfs/dbraw/zinc/89/89/50/562898950.db2.gz NJMHGTWUMGDPBL-UHFFFAOYSA-N 0 3 561.675 6.566 1 0 KKAFHN CC[N@H+](CCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473115892 562899106 /nfs/dbraw/zinc/89/91/06/562899106.db2.gz VGIJJBUGMBCAJG-UHFFFAOYSA-N 0 3 533.621 5.873 1 0 KKAFHN CC[N@@H+](CCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473115892 562899107 /nfs/dbraw/zinc/89/91/07/562899107.db2.gz VGIJJBUGMBCAJG-UHFFFAOYSA-N 0 3 533.621 5.873 1 0 KKAFHN CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2cccc(F)c2)cc1 ZINC000473119488 562899286 /nfs/dbraw/zinc/89/92/86/562899286.db2.gz AYNJDFMFFIERLA-OGPASDKVSA-N 0 3 557.626 5.316 1 0 KKAFHN CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000473120511 562899363 /nfs/dbraw/zinc/89/93/63/562899363.db2.gz DSJCPDXJBJZMEJ-CWDCEQMOSA-N 0 3 535.954 5.270 1 0 KKAFHN O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CC[C@@H](F)C1)CC2 ZINC000473145150 562901305 /nfs/dbraw/zinc/90/13/05/562901305.db2.gz KWNAEWYQYPOIBQ-QURRFSBHSA-N 0 3 555.543 5.387 1 0 KKAFHN Fc1ccc2c(c1)onc2C1CCN(CCCOc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1 ZINC000473155994 562902421 /nfs/dbraw/zinc/90/24/21/562902421.db2.gz SDPWBLYTEKGWLP-UHFFFAOYSA-N 0 3 505.977 7.077 1 0 KKAFHN CN(C)[C@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159164 562902607 /nfs/dbraw/zinc/90/26/07/562902607.db2.gz LGJHZIDUGLYJQL-IGKWTDBASA-N 0 3 565.133 6.021 1 0 KKAFHN CN(C)[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159164 562902608 /nfs/dbraw/zinc/90/26/08/562902608.db2.gz LGJHZIDUGLYJQL-IGKWTDBASA-N 0 3 565.133 6.021 1 0 KKAFHN C[NH+](C)[C@H]1CCN(C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159164 562902609 /nfs/dbraw/zinc/90/26/09/562902609.db2.gz LGJHZIDUGLYJQL-IGKWTDBASA-N 0 3 565.133 6.021 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+](C)CCO)CC4)c3c2)cc(Cl)c1[O-] ZINC000473159155 562902661 /nfs/dbraw/zinc/90/26/61/562902661.db2.gz LCMYPITVJCJSRX-LBZQVFOQSA-N 0 3 538.088 5.179 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+](C)CCO)CC4)c3c2)cc(Cl)c1[O-] ZINC000473159155 562902662 /nfs/dbraw/zinc/90/26/62/562902662.db2.gz LCMYPITVJCJSRX-LBZQVFOQSA-N 0 3 538.088 5.179 1 0 KKAFHN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN(C)C)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473243806 562904742 /nfs/dbraw/zinc/90/47/42/562904742.db2.gz BLDXWRFKMMDTCA-ISILISOKSA-N 0 3 571.766 5.255 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Br)cc3)c(=O)n2C)cc1F ZINC000474606094 562905362 /nfs/dbraw/zinc/90/53/62/562905362.db2.gz HIEABAWAMZKMHV-UHFFFAOYSA-N 0 3 733.639 6.004 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Cl)cc3)c(=O)n2C)cc1F ZINC000474609770 562905701 /nfs/dbraw/zinc/90/57/01/562905701.db2.gz UVSIBVLSEPOIBQ-UHFFFAOYSA-N 0 3 689.188 5.895 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653699618 562907260 /nfs/dbraw/zinc/90/72/60/562907260.db2.gz QDRJSIIKIUXVRU-YTTGMZPUSA-N 0 3 586.530 6.534 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1ccc2ccccc2c1 ZINC000653699598 562907262 /nfs/dbraw/zinc/90/72/62/562907262.db2.gz IXLSBDXBCUSOJH-PSXMRANNSA-N 0 3 557.694 6.925 1 0 KKAFHN Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653705314 562907749 /nfs/dbraw/zinc/90/77/49/562907749.db2.gz MIDLJYVZAMZZQC-UHFFFAOYSA-N 0 3 629.605 8.351 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc2ccccc21 ZINC000653714241 562908413 /nfs/dbraw/zinc/90/84/13/562908413.db2.gz FSIFTUHBPHJAAD-PSXMRANNSA-N 0 3 557.694 6.925 1 0 KKAFHN CCCCCCN(CCCCCC)CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1C(F)(F)F ZINC000653721790 562908762 /nfs/dbraw/zinc/90/87/62/562908762.db2.gz YKSJVVHQOXOPHA-LJAQVGFWSA-N 0 3 583.695 7.952 1 0 KKAFHN N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000653729242 562909351 /nfs/dbraw/zinc/90/93/51/562909351.db2.gz OIEMABJJRMOPCQ-ZPGRZCPFSA-N 0 3 644.816 5.165 1 0 KKAFHN O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 ZINC000653749373 562910591 /nfs/dbraw/zinc/91/05/91/562910591.db2.gz UUTHPYJPFVUVPN-OKDJAKQTSA-N 0 3 514.592 6.017 1 0 KKAFHN CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCc2ccccc2)c1 ZINC000653823128 562914253 /nfs/dbraw/zinc/91/42/53/562914253.db2.gz CQTFNVLDNHGYMC-UHFFFAOYSA-N 0 3 542.676 6.585 1 0 KKAFHN CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c(=O)oc2c1 ZINC000653883018 562916910 /nfs/dbraw/zinc/91/69/10/562916910.db2.gz FUCOYJUYPRXNIH-UHFFFAOYSA-N 0 3 638.788 6.263 1 0 KKAFHN CC(C)(C)c1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653887960 562917069 /nfs/dbraw/zinc/91/70/69/562917069.db2.gz FDGHNDMFQXREFC-HHHXNRCGSA-N 0 3 512.748 7.249 1 0 KKAFHN COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(cc(OC)c(OC)c4-3)CCN2C)cc1 ZINC000058569477 565115071 /nfs/dbraw/zinc/11/50/71/565115071.db2.gz RRRBUQLZAIRJQZ-VMPREFPWSA-N 0 3 638.761 6.448 1 0 biogenic,in-vitro KKAFHN COc1cc(CCC(O)=CC(=O)CCCCCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631572 565165228 /nfs/dbraw/zinc/16/52/28/565165228.db2.gz QAAYQYGDFODCSC-IVUOSGLUSA-N 0 3 616.823 6.857 1 0 biogenic,in-vitro KKAFHN COc1cc(CCC(=O)C=C(O)CCCCCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631572 565165232 /nfs/dbraw/zinc/16/52/32/565165232.db2.gz QAAYQYGDFODCSC-IVUOSGLUSA-N 0 3 616.823 6.857 1 0 biogenic,in-vitro KKAFHN COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](CN3C)C4)c(OC)cc2CCN1C ZINC000095485888 565173462 /nfs/dbraw/zinc/17/34/62/565173462.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 0 3 664.843 6.775 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2c3ccccc3[C@@]3(C)CCC[C@@H]2C3)c1)CO4 ZINC000085567379 291940455 /nfs/dbraw/zinc/94/04/55/291940455.db2.gz ZDNHKUVDZWSMHU-NDYBFFBQSA-N 0 3 778.943 6.979 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2C(C)(C)CO)c1)CO4 ZINC000085567395 291940465 /nfs/dbraw/zinc/94/04/65/291940465.db2.gz XMKJNQLAGQCQDA-AWSTYODSSA-N 0 3 756.893 5.247 1 0 biogenic,in-vitro KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C1CCCCC1 ZINC000003931504 561687504 /nfs/dbraw/zinc/68/75/04/561687504.db2.gz VKSITIDMXFEQJN-KYJUHHDHSA-N 0 3 535.773 5.887 1 0 KKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(C(F)(F)F)c4)cc32)CC1 ZINC000003940532 561689202 /nfs/dbraw/zinc/68/92/02/561689202.db2.gz BEMHNUHVZNPWPV-UHFFFAOYSA-N 0 3 506.532 5.711 1 0 KKAFHN COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br ZINC000003989403 561693155 /nfs/dbraw/zinc/69/31/55/561693155.db2.gz GJNNFCMJAHQXBR-UHFFFAOYSA-N 0 3 593.349 6.427 1 0 KKAFHN COc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1 ZINC000006018973 561702008 /nfs/dbraw/zinc/70/20/08/561702008.db2.gz YTLGAZWZLBXUKJ-OUDZLNJNSA-N 0 3 504.630 5.543 1 0 KKAFHN COc1ccc([C@@H]2Cc3cc(Sc4ccccc4)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450887 561713330 /nfs/dbraw/zinc/71/33/30/561713330.db2.gz PYVDJSHKPUQHAF-XTEPFMGCSA-N 0 3 504.652 5.013 1 0 KKAFHN Fc1ccc2c(c1)nc1c(c2NCCCCCCNc2c3ccc(F)cc3nc3c2CCCC3)CCCC1 ZINC000013473790 561714433 /nfs/dbraw/zinc/71/44/33/561714433.db2.gz RNCHLHHWJBXPLK-UHFFFAOYSA-N 0 3 514.664 7.903 1 0 KKAFHN CCN(CC)c1ccc(N2CCN(C[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651316 561723091 /nfs/dbraw/zinc/72/30/91/561723091.db2.gz XFUNZJAYNITYED-WJOKGBTCSA-N 0 3 523.766 5.311 1 0 KKAFHN CN1CCCC[C@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccc(I)cc21 ZINC000013674187 561723896 /nfs/dbraw/zinc/72/38/96/561723896.db2.gz KEZJSZDVAAWYLU-FQEVSTJZSA-N 0 3 508.403 6.114 1 0 KKAFHN CN(CCOc1ccc2c(c1)OCO2)CCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013799745 561730385 /nfs/dbraw/zinc/73/03/85/561730385.db2.gz KTZFWUUKOUWTMJ-MHZLTWQESA-N 0 3 528.715 5.301 1 0 KKAFHN CC(C)c1cc([C@H]2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc(C(C)C)c1O ZINC000013799690 561730402 /nfs/dbraw/zinc/73/04/02/561730402.db2.gz RDNYXEDBZMOHTQ-MUUNZHRXSA-N 0 3 514.688 5.343 1 0 KKAFHN CC(C)c1cc([C@@H]2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc(C(C)C)c1O ZINC000013799686 561730418 /nfs/dbraw/zinc/73/04/18/561730418.db2.gz RDNYXEDBZMOHTQ-NDEPHWFRSA-N 0 3 514.688 5.343 1 0 KKAFHN O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN([C@@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 ZINC000013806865 561731485 /nfs/dbraw/zinc/73/14/85/561731485.db2.gz RZYITGJRSITIGE-XMMPIXPASA-N 0 3 520.504 6.192 1 0 KKAFHN FC(F)(F)c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812955 561731790 /nfs/dbraw/zinc/73/17/90/561731790.db2.gz ALLKBIANVUTXDD-LMBSYKFDSA-N 0 3 511.591 7.184 3 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824922 561732715 /nfs/dbraw/zinc/73/27/15/561732715.db2.gz FVPCYOBHFAOFOE-UHFFFAOYSA-N 0 3 507.621 6.879 1 0 KKAFHN Cc1cc(O)c(C)c2sc(-c3ccc(O)cc3)c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c21 ZINC000013834299 561734104 /nfs/dbraw/zinc/73/41/04/561734104.db2.gz OQYNDLOKEXDJQA-UHFFFAOYSA-N 0 3 501.648 6.692 1 0 KKAFHN COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc(F)c1 ZINC000013975565 561735896 /nfs/dbraw/zinc/73/58/96/561735896.db2.gz TZNZMTAIOJDNJP-IXCJQBJRSA-N 0 3 523.446 6.116 1 0 KKAFHN CCN(CC)CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(NC)ncc3c2)c1 ZINC000016052295 561753884 /nfs/dbraw/zinc/75/38/84/561753884.db2.gz YGLITMMDQOZAHY-UHFFFAOYSA-N 0 3 564.612 6.198 1 0 in-vitro KKAFHN CN(C)C[C@H](O)COc1ccc(Nc2nccc(N(CCCC(F)(F)F)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945882 561743367 /nfs/dbraw/zinc/74/33/67/561743367.db2.gz HQGMRHNRHQZULO-IBGZPJMESA-N 0 3 558.432 6.309 1 0 KKAFHN CN(C)C[C@H](O)COc1ccc(Nc2nccc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945880 561743378 /nfs/dbraw/zinc/74/33/78/561743378.db2.gz QTWWPQCPRVZKCB-QHCPKHFHSA-N 0 3 538.479 6.167 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc2c(c(OCCc3ccc(Cl)cc3Cl)c1)OCO2 ZINC000014953525 561746626 /nfs/dbraw/zinc/74/66/26/561746626.db2.gz IDTTVHUXXPGDJV-UHFFFAOYSA-N 0 3 528.436 5.385 1 0 KKAFHN CCOc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br ZINC000014953531 561746655 /nfs/dbraw/zinc/74/66/55/561746655.db2.gz XOKXLVZTHDYGDO-UHFFFAOYSA-N 0 3 607.376 6.818 1 0 KKAFHN c1ccc(-c2cc(-c3nnn[n-]3)cnc2-c2ccc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 ZINC000014958004 561748141 /nfs/dbraw/zinc/74/81/41/561748141.db2.gz HYOQFFBLOLYSDU-UHFFFAOYSA-N 0 3 512.621 5.852 1 0 KKAFHN c1ccc(-c2cc(-c3nn[n-]n3)cnc2-c2ccc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 ZINC000014958004 561748143 /nfs/dbraw/zinc/74/81/43/561748143.db2.gz HYOQFFBLOLYSDU-UHFFFAOYSA-N 0 3 512.621 5.852 1 0 KKAFHN CCNC(=O)c1noc(-c2cc(-c3ccc(F)cc3)c(O)cc2[O-])c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974919 561752093 /nfs/dbraw/zinc/75/20/93/561752093.db2.gz CDCLIURFWZMJLI-UHFFFAOYSA-N 0 3 515.585 5.962 1 0 KKAFHN CCNC(=O)c1noc(-c2cc(CCc3ccc(F)cc3)c(O)cc2[O-])c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974901 561752140 /nfs/dbraw/zinc/75/21/40/561752140.db2.gz SCEJWTLUUJOIFO-UHFFFAOYSA-N 0 3 543.639 6.080 1 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000017545797 561756016 /nfs/dbraw/zinc/75/60/16/561756016.db2.gz NLLGCKOCGGPZQL-NDEPHWFRSA-N 0 3 598.740 6.616 3 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000017611835 561757044 /nfs/dbraw/zinc/75/70/44/561757044.db2.gz JEKDOWMTUCHNIR-IHLOFXLRSA-N 0 3 608.735 6.859 1 0 aggregator KKAFHN O[C@@H](CNc1ccc(Cl)cc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941088 561761092 /nfs/dbraw/zinc/76/10/92/561761092.db2.gz UWCWXVUOPMHJCE-NDEPHWFRSA-N 0 3 514.060 5.621 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)cc4)nc3n2)CC1 ZINC000023357769 561761652 /nfs/dbraw/zinc/76/16/52/561761652.db2.gz JEPFUEYLCGNLKG-UHFFFAOYSA-N 0 3 599.954 6.345 1 0 KKAFHN CN1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CC1 ZINC000023358213 561761945 /nfs/dbraw/zinc/76/19/45/561761945.db2.gz KDZYVICPZRDOIO-UHFFFAOYSA-N 0 3 593.585 5.420 1 0 KKAFHN CN(C)CCN1CCN(c2nc(-c3ccc(Cl)cc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000023359219 561761954 /nfs/dbraw/zinc/76/19/54/561761954.db2.gz OJBGOJDIJOUKKY-UHFFFAOYSA-N 0 3 595.362 5.802 1 0 KKAFHN CN(CCN1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000023359307 561762167 /nfs/dbraw/zinc/76/21/67/561762167.db2.gz FNZSBRAEFDXJOS-UHFFFAOYSA-N 0 3 565.954 6.741 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(SC)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007946 561765777 /nfs/dbraw/zinc/76/57/77/561765777.db2.gz ZMQFSABOKCOPMT-UHFFFAOYSA-N 0 3 672.814 7.453 1 0 KKAFHN COc1ccc([C@@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)SCc2ccccc2)cc1OC ZINC000026189995 561773442 /nfs/dbraw/zinc/77/34/42/561773442.db2.gz GXEBXJCYTURXIM-JGCGQSQUSA-N 0 3 535.750 7.314 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026258006 561775163 /nfs/dbraw/zinc/77/51/63/561775163.db2.gz WHOCMELZNZWNHY-SANMLTNESA-N 0 3 539.720 5.434 1 0 KKAFHN COc1ccc([C@H](CCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026268303 561776623 /nfs/dbraw/zinc/77/66/23/561776623.db2.gz CJJFSFFAFAEWIN-PMERELPUSA-N 0 3 507.696 6.701 1 0 KKAFHN COc1cc(OC2CCN([C@@H]3CCCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277865 561778610 /nfs/dbraw/zinc/77/86/10/561778610.db2.gz ADMOZSRFKYYPSU-WJOKGBTCSA-N 0 3 614.718 5.912 1 0 KKAFHN CCN(CC)CCOc1c(I)cc(C(=O)c2coc3ccccc23)cc1I ZINC000026398553 561787759 /nfs/dbraw/zinc/78/77/59/561787759.db2.gz AUYKGXBIQSKDMK-UHFFFAOYSA-N 0 3 589.211 5.594 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C ZINC000026403346 561788856 /nfs/dbraw/zinc/78/88/56/561788856.db2.gz AYLQFSBXZTZHLQ-SMWBHMEJSA-N 0 3 711.956 5.016 1 0 KKAFHN CC[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026491362 561793384 /nfs/dbraw/zinc/79/33/84/561793384.db2.gz NODHTDVWAVGANT-QFIPXVFZSA-N 0 3 506.532 5.554 1 0 KKAFHN CCCN(C(=O)N(C)Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497187 561794604 /nfs/dbraw/zinc/79/46/04/561794604.db2.gz KAPOEWFIQGCQKJ-WJOKGBTCSA-N 0 3 590.834 5.909 1 0 KKAFHN CCCN(C(=O)OCc1cccc(C)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026504060 561796237 /nfs/dbraw/zinc/79/62/37/561796237.db2.gz JVWVDAKGTFBARH-WJOKGBTCSA-N 0 3 591.818 6.303 1 0 KKAFHN CCCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026505355 561796418 /nfs/dbraw/zinc/79/64/18/561796418.db2.gz ULYSBKOLJAVXSU-GRKNLSHJSA-N 0 3 590.834 6.128 1 0 KKAFHN CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)CN3CCC(Cc4ccccc4)CC3)CC2)C1=O ZINC000026505485 561796615 /nfs/dbraw/zinc/79/66/15/561796615.db2.gz BXGTWCLBVXIHEG-UHFFFAOYSA-N 0 3 624.626 5.434 1 0 KKAFHN O=[S@@]1CC2(CCN(CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026577752 561802345 /nfs/dbraw/zinc/80/23/45/561802345.db2.gz HIMMHTUVMHCSMF-CFCWSMIUSA-N 0 3 577.599 5.601 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 ZINC000026579420 561804673 /nfs/dbraw/zinc/80/46/73/561804673.db2.gz CSYLEHSOUHZAFC-IJENORETSA-N 0 3 571.570 6.753 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 ZINC000026580313 561805835 /nfs/dbraw/zinc/80/58/35/561805835.db2.gz JOCSJNBEXFKNIX-MGPFPDDXSA-N 0 3 605.653 6.084 1 0 KKAFHN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCN(C)C)cc(C)nc34)c2Cl)cc1 ZINC000026640766 561806638 /nfs/dbraw/zinc/80/66/38/561806638.db2.gz YUMSULLHKSIRDO-LFIBNONCSA-N 0 3 677.633 5.555 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(C)(=O)=O)cc2ccccc21 ZINC000026659838 561810147 /nfs/dbraw/zinc/81/01/47/561810147.db2.gz ZJEFRQVWWPNTJA-MOADPPEFSA-N 0 3 685.739 7.413 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc2ccccc21 ZINC000026664500 561810908 /nfs/dbraw/zinc/81/09/08/561810908.db2.gz SXIHVUMXYLXZAL-CBWMPJGPSA-N 0 3 642.092 8.663 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc2ccccc21 ZINC000026668998 561811865 /nfs/dbraw/zinc/81/18/65/561811865.db2.gz BNRSRJKHXKYDQR-YPYYPIDUSA-N 0 3 675.644 9.028 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674083 561813371 /nfs/dbraw/zinc/81/33/71/561813371.db2.gz SBMCXVUSNRZQAG-FAIXQHPJSA-N 0 3 676.814 6.472 1 0 KKAFHN COc1ccc(CN2CCN(Cc3cc(NC(=O)CN4CCCCC4)cc(Nc4ccnc5cc(Cl)ccc54)c3)CC2)cc1 ZINC000026675600 561814049 /nfs/dbraw/zinc/81/40/49/561814049.db2.gz FYSURHOWLYZPHY-UHFFFAOYSA-N 0 3 613.206 6.383 1 0 KKAFHN Cc1c2cc(Cl)cc(Cl)c2sc1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000026716665 561814222 /nfs/dbraw/zinc/81/42/22/561814222.db2.gz HAAPUDFQHBYQJE-UHFFFAOYSA-N 0 3 507.468 5.275 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026718521 561814712 /nfs/dbraw/zinc/81/47/12/561814712.db2.gz UJPLTYVXAUXUFI-UHFFFAOYSA-N 0 3 594.156 5.602 1 0 KKAFHN CN1CCN(CCCCC(=O)OCc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026719857 561814918 /nfs/dbraw/zinc/81/49/18/561814918.db2.gz KMEXAAXJNVOHHE-UHFFFAOYSA-N 0 3 607.199 5.517 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026729412 561816524 /nfs/dbraw/zinc/81/65/24/561816524.db2.gz BXJRBGNXZAKXLL-JGVSFPECSA-N 0 3 517.629 5.138 1 0 KKAFHN OC1(CCCc2ccc(-c3nnn[n-]3)cc2)CCN(C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 561819997 /nfs/dbraw/zinc/81/99/97/561819997.db2.gz MYTRYQKUDUGKTA-IOWSJCHKSA-N 0 3 542.772 5.312 1 0 KKAFHN OC1(CCCc2ccc(-c3nnn[n-]3)cc2)CCN(C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 561819998 /nfs/dbraw/zinc/81/99/98/561819998.db2.gz MYTRYQKUDUGKTA-IOWSJCHKSA-N 0 3 542.772 5.312 1 0 KKAFHN Cn1c2ccc(Cl)cc2c(CCC(=O)N2CCN(CC3CCCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000026830172 561822735 /nfs/dbraw/zinc/82/27/35/561822735.db2.gz XJLDDZIBCMCXGL-UHFFFAOYSA-N 0 3 512.525 6.809 1 0 KKAFHN O=C1CC2(CCN(CC[C@@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833533 561823550 /nfs/dbraw/zinc/82/35/50/561823550.db2.gz VVPDJLRPPVILJY-ABYGYWHVSA-N 0 3 556.106 5.597 1 0 KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 ZINC000026835813 561824413 /nfs/dbraw/zinc/82/44/13/561824413.db2.gz VSJPOGSOFYKAOZ-DIPNUNPCSA-N 0 3 608.758 6.288 1 0 KKAFHN O=C(NCCN1CCCCC1)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840433 561825542 /nfs/dbraw/zinc/82/55/42/561825542.db2.gz ALTXCOPWMUDTBZ-PSXMRANNSA-N 0 3 594.731 5.980 1 0 KKAFHN O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840413 561825556 /nfs/dbraw/zinc/82/55/56/561825556.db2.gz COQRQYDTULKQEN-YYDRCNLMSA-N 0 3 576.162 5.132 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000026848340 561826903 /nfs/dbraw/zinc/82/69/03/561826903.db2.gz CWHDMLNZVZVXIE-HHHXNRCGSA-N 0 3 526.768 5.392 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026960635 561829649 /nfs/dbraw/zinc/82/96/49/561829649.db2.gz IKTCQXBLEMUSIF-GBXCKJPGSA-N 0 3 545.558 5.408 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026971463 561830437 /nfs/dbraw/zinc/83/04/37/561830437.db2.gz IKTCQXBLEMUSIF-YKSBVNFPSA-N 0 3 545.558 5.408 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026992898 561832816 /nfs/dbraw/zinc/83/28/16/561832816.db2.gz LEFAKKLOKFYYJX-QFIPXVFZSA-N 0 3 545.509 5.109 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026996469 561833375 /nfs/dbraw/zinc/83/33/75/561833375.db2.gz GLPXKCDPFDUVQT-GOTSBHOMSA-N 0 3 559.536 5.670 1 0 KKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCc4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027083578 561835578 /nfs/dbraw/zinc/83/55/78/561835578.db2.gz DHBKAQUJRFTZOM-YBLJPNGSSA-N 0 3 504.630 5.446 1 0 KKAFHN Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1 ZINC000027189081 561843156 /nfs/dbraw/zinc/84/31/56/561843156.db2.gz LDBQTNQSCCQVQN-UHFFFAOYSA-N 0 3 551.735 6.751 1 0 KKAFHN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1ccccc1)CC2 ZINC000027083200 561835652 /nfs/dbraw/zinc/83/56/52/561835652.db2.gz JQIJNYFNVGXAFQ-WQHHGGELSA-N 0 3 671.882 5.497 1 0 KKAFHN COc1ccc(OCCN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433178 561859769 /nfs/dbraw/zinc/85/97/69/561859769.db2.gz NVDGAAUKTHPFSV-GDLZYMKVSA-N 0 3 558.785 5.979 1 0 KKAFHN O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000027439025 561860617 /nfs/dbraw/zinc/86/06/17/561860617.db2.gz KVDRGPNXKCVXGD-LJAQVGFWSA-N 0 3 591.640 7.228 1 0 KKAFHN CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCN(C2CCCCC2)CC1 ZINC000027517328 561861095 /nfs/dbraw/zinc/86/10/95/561861095.db2.gz CBPSLOOFWLIHIO-GDLZYMKVSA-N 0 3 608.671 6.768 1 0 KKAFHN CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c2cccc3C)CC1 ZINC000027526949 561866547 /nfs/dbraw/zinc/86/65/47/561866547.db2.gz UEGKOUFGXLPURW-UHFFFAOYSA-N 0 3 512.094 6.413 1 0 KKAFHN CCCN(C(=O)[C@@H](C)C1(OC(=O)CC)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027555077 561869327 /nfs/dbraw/zinc/86/93/27/561869327.db2.gz YBHLXOUBLDFNAH-JOCHJYFZSA-N 0 3 515.094 5.758 1 0 KKAFHN CN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnc(N3CCNCC3)nc2)c(=O)nc1SCc1ccc(F)cc1 ZINC000027632462 561873945 /nfs/dbraw/zinc/87/39/45/561873945.db2.gz WWNRZILQEZDLPA-UHFFFAOYSA-N 0 3 684.241 5.444 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCCN1CCN(CCCN(Cc2ccsc2)Cc2ccsc2)CC1 ZINC000027640573 561875243 /nfs/dbraw/zinc/87/52/43/561875243.db2.gz PACCCTSXSYUSGQ-UHFFFAOYSA-N 0 3 554.229 6.523 1 0 KKAFHN O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)/C(=C/c1cccnc1)c1ccccc1 ZINC000027657107 561877937 /nfs/dbraw/zinc/87/79/37/561877937.db2.gz FYMPKXWLJVLLBH-MUGXBBEHSA-N 0 3 530.716 5.926 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(N(C)C)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658004 561878302 /nfs/dbraw/zinc/87/83/02/561878302.db2.gz FRNBWSMMIQVICC-UHFFFAOYSA-N 0 3 629.761 6.423 1 0 KKAFHN Cc1ccc(C(=O)N(C)Cc2ccccn2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027847609 561885673 /nfs/dbraw/zinc/88/56/73/561885673.db2.gz MYUPPLLYMBAZIG-BLGMLHPASA-N 0 3 667.895 5.160 1 0 KKAFHN O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027882683 561889186 /nfs/dbraw/zinc/88/91/86/561889186.db2.gz KMGAJUYDQHGRHG-VWLOTQADSA-N 0 3 648.471 8.274 1 0 KKAFHN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3ccc(Cl)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887140 561889604 /nfs/dbraw/zinc/88/96/04/561889604.db2.gz WUQDKLRKJCHPFS-SSEXGKCCSA-N 0 3 525.064 5.915 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC4(CC3)C(=O)NCN4c3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027994353 561893606 /nfs/dbraw/zinc/89/36/06/561893606.db2.gz VBINAWKKNMDVFQ-UMSFTDKQSA-N 0 3 669.606 5.163 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(C(C)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027994754 561893665 /nfs/dbraw/zinc/89/36/65/561893665.db2.gz CZLBLDYEFUNFIL-UMSFTDKQSA-N 0 3 641.592 6.358 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997416 561894026 /nfs/dbraw/zinc/89/40/26/561894026.db2.gz UCYOKEIGNWKFBW-HKBQPEDESA-N 0 3 616.542 5.113 1 0 KKAFHN O=C(CCCN1CCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028020868 561898442 /nfs/dbraw/zinc/89/84/42/561898442.db2.gz IJFWWOVMXWFJDI-VWLOTQADSA-N 0 3 567.574 6.311 1 0 KKAFHN CCC(=O)N1c2ccccc2S[C@@H]1c1cc(OC)ccc1OCCCCN1CCN(CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000028087275 561899444 /nfs/dbraw/zinc/89/94/44/561899444.db2.gz JWFREIDKTUIMEC-PSXMRANNSA-N 0 3 649.854 6.288 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000028090064 561899839 /nfs/dbraw/zinc/89/98/39/561899839.db2.gz LOCWHPYADPPCAK-SANMLTNESA-N 0 3 561.553 7.376 1 0 KKAFHN CC(=O)Nc1cccc(-c2ccc(C3(CNC(=O)Nc4cc(Cl)cc(Cl)c4)CCN(C)CC3)cc2)c1 ZINC000028115848 561903784 /nfs/dbraw/zinc/90/37/84/561903784.db2.gz DQUWQGNVJJJULP-UHFFFAOYSA-N 0 3 525.480 6.404 1 0 KKAFHN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCCCC1 ZINC000028120158 561904423 /nfs/dbraw/zinc/90/44/23/561904423.db2.gz KCVISAPNHWOHSP-UHFFFAOYSA-N 0 3 514.872 8.658 1 0 KKAFHN CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128385 561905252 /nfs/dbraw/zinc/90/52/52/561905252.db2.gz JTXBXFTVOCSXTB-FIRIVFDPSA-N 0 3 574.169 6.304 1 0 KKAFHN Oc1ccc2c(c1)sc(-c1ccc(OCCN3CCCC3)cc1)c2Cc1ccc(CN2CCOCC2)c(Br)c1 ZINC000028221415 561907405 /nfs/dbraw/zinc/90/74/05/561907405.db2.gz VNALPDDPCFCZOG-UHFFFAOYSA-N 0 3 607.614 6.934 1 0 KKAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)c1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028358249 561916466 /nfs/dbraw/zinc/91/64/66/561916466.db2.gz AZOHCTJFFUDNKX-ZNWAYWQSSA-N 0 3 505.747 5.670 1 0 KKAFHN CC(C)(C)c1cc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000028366389 561917720 /nfs/dbraw/zinc/91/77/20/561917720.db2.gz MJMXIIYEHCGCCI-HKBQPEDESA-N 0 3 607.830 7.268 1 0 KKAFHN COc1cc2c(cc1OCCCCOc1ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028385998 561921022 /nfs/dbraw/zinc/92/10/22/561921022.db2.gz RBBHZQKRPMRMMP-SANMLTNESA-N 0 3 608.743 5.549 1 0 KKAFHN CC1CC[NH+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028389418 561921891 /nfs/dbraw/zinc/92/18/91/561921891.db2.gz YYTJWPSQJHSHBY-UHFFFAOYSA-N 0 3 553.046 6.746 1 0 KKAFHN CC(C)(C)c1ccc(NC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028476786 561928292 /nfs/dbraw/zinc/92/82/92/561928292.db2.gz SKFPWOHYDHHLKH-PMERELPUSA-N 0 3 518.790 7.095 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000028523375 561930014 /nfs/dbraw/zinc/93/00/14/561930014.db2.gz UQRSDLGGRUPJME-HKBQPEDESA-N 0 3 587.742 6.207 1 0 KKAFHN O=S(=O)(c1ccc(Br)s1)n1cc([C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028526553 561932179 /nfs/dbraw/zinc/93/21/79/561932179.db2.gz ZHYYDISGIDQJTN-GOSISDBHSA-N 0 3 501.471 5.692 1 0 KKAFHN COc1cccc(-c2ccccc2)c1CCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646362 561945125 /nfs/dbraw/zinc/94/51/25/561945125.db2.gz QQIBGMDABOGKGQ-UUWRZZSWSA-N 0 3 558.786 5.819 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028646367 561945130 /nfs/dbraw/zinc/94/51/30/561945130.db2.gz MZRITYKFWALVDP-UMSFTDKQSA-N 0 3 546.750 5.949 1 0 KKAFHN COc1ccc(C(c2ccc(OC)cc2)=C2C[C@@H](c3ccc(OCCN4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604463 561940716 /nfs/dbraw/zinc/94/07/16/561940716.db2.gz QLVVURMRPGJPEO-BHVANESWSA-N 0 3 591.748 8.060 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3c(Cl)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646355 561945161 /nfs/dbraw/zinc/94/51/61/561945161.db2.gz VFCUBGIDVRNDJS-UUWRZZSWSA-N 0 3 563.205 6.464 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646327 561945166 /nfs/dbraw/zinc/94/51/66/561945166.db2.gz XHPVWBPEZTWPSN-XIFFEERXSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 ZINC000028636652 561941413 /nfs/dbraw/zinc/94/14/13/561941413.db2.gz ZGAHJKRUYXIYKQ-JGCGQSQUSA-N 0 3 598.755 5.887 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646318 561945168 /nfs/dbraw/zinc/94/51/68/561945168.db2.gz PHGQDMRWYCPIEF-UUWRZZSWSA-N 0 3 528.760 5.810 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000028637565 561941741 /nfs/dbraw/zinc/94/17/41/561941741.db2.gz UTELNNIXGGIXPC-XZLGBSMGSA-N 0 3 522.689 5.014 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646414 561945324 /nfs/dbraw/zinc/94/53/24/561945324.db2.gz TXJRKEBVJVHFRQ-RRHRGVEJSA-N 0 3 604.858 7.477 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646410 561945335 /nfs/dbraw/zinc/94/53/35/561945335.db2.gz TXJRKEBVJVHFRQ-FAIXQHPJSA-N 0 3 604.858 7.477 1 0 KKAFHN COc1ccc(-c2ccccc2CCCN2CCN(C[C@@H](c3ccc(F)cc3)N3CCN(C(C)C)CC3)CC2)cc1 ZINC000028646400 561945379 /nfs/dbraw/zinc/94/53/79/561945379.db2.gz NCDIILRSQNVCDL-DHUJRADRSA-N 0 3 558.786 5.819 1 0 KKAFHN Fc1ccc([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028646177 561944699 /nfs/dbraw/zinc/94/46/99/561944699.db2.gz KNBPAEKLDLQFCP-BHVANESWSA-N 0 3 550.766 6.483 1 0 KKAFHN Fc1ccc([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(C3CC3)CC2)cc1 ZINC000028646165 561944734 /nfs/dbraw/zinc/94/47/34/561944734.db2.gz MDCVCAIQJRDIKA-XIFFEERXSA-N 0 3 514.733 5.441 1 0 KKAFHN Fc1ccc([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(C3CC3)CC2)cc1 ZINC000028646162 561944792 /nfs/dbraw/zinc/94/47/92/561944792.db2.gz MDCVCAIQJRDIKA-MGBGTMOVSA-N 0 3 514.733 5.441 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028646240 561944898 /nfs/dbraw/zinc/94/48/98/561944898.db2.gz FBNHMHGIMMCLHO-QNGWXLTQSA-N 0 3 546.803 6.436 1 0 KKAFHN CN(C)C(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028710033 561950855 /nfs/dbraw/zinc/95/08/55/561950855.db2.gz KZGJWJJJDKPFMH-UHFFFAOYSA-N 0 3 510.634 6.571 1 0 KKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000028710188 561951139 /nfs/dbraw/zinc/95/11/39/561951139.db2.gz MEPMSZIBYJDWKM-UHFFFAOYSA-N 0 3 521.721 6.316 1 0 KKAFHN O=CNc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702785 561947296 /nfs/dbraw/zinc/94/72/96/561947296.db2.gz QJPYGDWBEWYTTR-HSZRJFAPSA-N 0 3 598.613 6.419 1 0 KKAFHN CCC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702787 561947312 /nfs/dbraw/zinc/94/73/12/561947312.db2.gz WROPXIZGCHYNFR-XMMPIXPASA-N 0 3 626.667 7.199 1 0 KKAFHN CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702811 561947334 /nfs/dbraw/zinc/94/73/34/561947334.db2.gz LIXMBCYLTAANQS-QHCPKHFHSA-N 0 3 627.655 6.602 1 0 KKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(N(CCN4CCCC4)C(=O)c4ccccc4)cc3)nnc2c1 ZINC000028702871 561947531 /nfs/dbraw/zinc/94/75/31/561947531.db2.gz BOTCEXZBULNTQA-UHFFFAOYSA-N 0 3 556.714 7.103 1 0 KKAFHN CN1CCN(CCCCOc2ccc3c(c2)NC(=O)Cc2c(-c4ccccc4)cc(-c4cccc(Cl)c4)nc2-3)CC1 ZINC000028704153 561948418 /nfs/dbraw/zinc/94/84/18/561948418.db2.gz AGIBVBWPSRVVJL-UHFFFAOYSA-N 0 3 567.133 6.637 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cnccc5Cl)cc4)CC3)C2=O)c1 ZINC000028704514 561948720 /nfs/dbraw/zinc/94/87/20/561948720.db2.gz YRVMZOOQBWUHES-UHFFFAOYSA-N 0 3 585.079 6.553 1 0 KKAFHN Cc1ccc2c(c1)N(c1ccc(NC(=O)[C@H](N)C(C)C)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711874 561952419 /nfs/dbraw/zinc/95/24/19/561952419.db2.gz HZDXXQUJKUTOOT-SSEXGKCCSA-N 0 3 537.708 6.975 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000028714034 561954445 /nfs/dbraw/zinc/95/44/45/561954445.db2.gz NDHYNZNDURMYSZ-UHFFFAOYSA-N 0 3 570.137 5.359 1 0 KKAFHN CC(=O)Nc1ccccc1Cn1c2ccccc2c2c1[C@@H]1Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000028763579 561958770 /nfs/dbraw/zinc/95/87/70/561958770.db2.gz MAWFZKLWUCKKMS-OGICNVKRSA-N 0 3 561.682 5.053 1 0 KKAFHN c1ccc(C(CCCN2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816218 561964079 /nfs/dbraw/zinc/96/40/79/561964079.db2.gz LCOHBFLNTLGXJE-MJPWBCPGSA-N 0 3 652.879 9.213 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816230 561964124 /nfs/dbraw/zinc/96/41/24/561964124.db2.gz VIBSDCROEKUITE-CXNSMIOJSA-N 0 3 666.906 9.604 1 0 KKAFHN C[C@@H]1CN(C2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816493 561964230 /nfs/dbraw/zinc/96/42/30/561964230.db2.gz FMMQURLBVRREQY-LFOKJVLGSA-N 0 3 574.187 6.100 1 0 KKAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817309 561964651 /nfs/dbraw/zinc/96/46/51/561964651.db2.gz BTSVYYFWIQTHSO-LBFZIJHGSA-N 0 3 739.848 5.906 1 0 KKAFHN COc1cc(-c2csc3c2c(N)ncc3C(=O)NCCN2CCCC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822577 561967323 /nfs/dbraw/zinc/96/73/23/561967323.db2.gz VCHBPSBTFPJNQZ-UHFFFAOYSA-N 0 3 568.703 5.124 1 0 KKAFHN CC(C)C[C@H](NCCN(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823903 561968575 /nfs/dbraw/zinc/96/85/75/561968575.db2.gz URXRYNAIWUJHTJ-MFMCTBQISA-N 0 3 620.641 5.253 1 0 KKAFHN C[C@@H](NCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824125 561969053 /nfs/dbraw/zinc/96/90/53/561969053.db2.gz KHIFGJZXVUNEIN-HXUWFJFHSA-N 0 3 506.050 5.456 1 0 KKAFHN COC(=O)c1sc2cc(F)ccc2c1C1CCN(C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824388 561969551 /nfs/dbraw/zinc/96/95/51/561969551.db2.gz DZNAVKWCMXJPNV-QHCPKHFHSA-N 0 3 694.773 5.268 1 0 KKAFHN O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972686 /nfs/dbraw/zinc/97/26/86/561972686.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 0 3 620.144 5.040 1 0 KKAFHN O=C1c2ccccc2C(=O)N1CCCCN1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869731 561973833 /nfs/dbraw/zinc/97/38/33/561973833.db2.gz UPEDKGWAXYKNLY-MUUNZHRXSA-N 0 3 502.058 5.514 1 0 KKAFHN COc1ccccc1N1CCN(CCc2cccc(OCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873114 561974828 /nfs/dbraw/zinc/97/48/28/561974828.db2.gz MYJTVJZIZDJVKI-UHFFFAOYSA-N 0 3 664.891 6.281 1 0 KKAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000028895528 561979007 /nfs/dbraw/zinc/97/90/07/561979007.db2.gz RCHYFBVTUQLSBM-NDEPHWFRSA-N 0 3 574.574 5.465 1 0 KKAFHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN(C)C)cc3)c3ccccc23)cc1 ZINC000028899790 561979625 /nfs/dbraw/zinc/97/96/25/561979625.db2.gz BSQWOONHGXKYPN-UHFFFAOYSA-N 0 3 531.704 8.004 1 0 KKAFHN O=C(Nc1nc2ccc(C(=O)N3CCC[C@@H](NCc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967549 561985352 /nfs/dbraw/zinc/98/53/52/561985352.db2.gz LDZJYSFVYNCVIH-AREMUKBSSA-N 0 3 526.706 6.363 1 0 KKAFHN CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000028968376 561985476 /nfs/dbraw/zinc/98/54/76/561985476.db2.gz OBKDIQQFGPQSMU-JYBRIGHHSA-N 0 3 653.823 7.100 1 0 KKAFHN COc1ccc(NC(=O)[C@@H](NCCc2ccncc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976271 561986767 /nfs/dbraw/zinc/98/67/67/561986767.db2.gz HHTASDRYKNUPBC-LJAQVGFWSA-N 0 3 551.672 5.652 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039320 561989752 /nfs/dbraw/zinc/98/97/52/561989752.db2.gz DIPQOIDSXYFTQU-SMIHKQSGSA-N 0 3 524.027 5.484 1 0 KKAFHN O=S(=O)(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000029056552 561995122 /nfs/dbraw/zinc/99/51/22/561995122.db2.gz QYGOBWCFGYQLQF-KYJUHHDHSA-N 0 3 697.723 6.147 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cc(C)on4)c3=O)CC2)C(C)C)c1 ZINC000029061765 561995896 /nfs/dbraw/zinc/99/58/96/561995896.db2.gz IDLRMEJDJHCABK-LJAQVGFWSA-N 0 3 532.685 5.595 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ccsc4)c3=O)CC2)C(C)C)c1 ZINC000029062402 561996054 /nfs/dbraw/zinc/99/60/54/561996054.db2.gz HCQKPNWGBSJSPN-LJAQVGFWSA-N 0 3 533.738 6.360 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cscn4)c3=O)CC2)C(C)C)c1 ZINC000029062590 561996073 /nfs/dbraw/zinc/99/60/73/561996073.db2.gz AEKVLGLTXHMUPW-MUUNZHRXSA-N 0 3 534.726 5.755 1 0 KKAFHN CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000029125417 561997633 /nfs/dbraw/zinc/99/76/33/561997633.db2.gz OCGBVLQLCRQMAB-UHFFFAOYSA-N 0 3 517.906 5.174 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)/C=C/c4cc(F)cc(F)c4)cc3oc2=O)cc1 ZINC000029131493 562003059 /nfs/dbraw/zinc/00/30/59/562003059.db2.gz OCCKNKZEIGZTKX-XNTDXEJSSA-N 0 3 594.658 6.969 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)ccc3oc2=O)cc1 ZINC000029131584 562003235 /nfs/dbraw/zinc/00/32/35/562003235.db2.gz KFRZFMDOBBBWCR-GZTJUZNOSA-N 0 3 627.568 7.997 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000029213492 562006192 /nfs/dbraw/zinc/00/61/92/562006192.db2.gz TWFDBVKIWAXYPQ-KXQOOQHDSA-N 0 3 672.830 5.898 1 0 KKAFHN CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335821 562014303 /nfs/dbraw/zinc/01/43/03/562014303.db2.gz LHMWCFQUSQQLNY-PSLXYLBZSA-N 0 3 653.716 7.527 1 0 KKAFHN COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C(C)C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029338556 562014797 /nfs/dbraw/zinc/01/47/97/562014797.db2.gz UZAQLUSKGDVMCF-VWLOTQADSA-N 0 3 546.520 6.475 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342614 562015632 /nfs/dbraw/zinc/01/56/32/562015632.db2.gz FURDJWVBJDISJQ-AVGMXXAGSA-N 0 3 686.942 5.115 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000029346766 562016335 /nfs/dbraw/zinc/01/63/35/562016335.db2.gz VBJNBIZNIBCBGI-BLUCGVCNSA-N 0 3 695.949 5.797 1 0 KKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389834 562016969 /nfs/dbraw/zinc/01/69/69/562016969.db2.gz BFHQGCXVEJLAPS-XDZXDJIYSA-N 0 3 547.523 5.241 1 0 KKAFHN CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029414468 562022601 /nfs/dbraw/zinc/02/26/01/562022601.db2.gz ISJCUKQDFPXHAV-UHFFFAOYSA-N 0 3 579.166 7.996 1 0 KKAFHN Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN(C)C ZINC000029465079 562024074 /nfs/dbraw/zinc/02/40/74/562024074.db2.gz KIRNMAGSVAWHCO-HKBQPEDESA-N 0 3 569.709 6.288 1 0 KKAFHN CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029476498 562026567 /nfs/dbraw/zinc/02/65/67/562026567.db2.gz MNHHOQWQNUEUCD-UHFFFAOYSA-N 0 3 557.160 7.595 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC1CCCCC1 ZINC000029485796 562028228 /nfs/dbraw/zinc/02/82/28/562028228.db2.gz TUMDEIKQICSUFW-YDAXCOIMSA-N 0 3 652.924 6.564 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4c(F)c(F)c(F)c(F)c4F)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000029551920 562031218 /nfs/dbraw/zinc/03/12/18/562031218.db2.gz JEGXPGGCWMRZSY-YNLKZZDMSA-N 0 3 594.580 5.790 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@H]2CN(C)c3ccccc3S2)c1 ZINC000029559542 562032847 /nfs/dbraw/zinc/03/28/47/562032847.db2.gz YRKXDSQFNDBXPZ-GDLZYMKVSA-N 0 3 522.667 5.487 1 0 KKAFHN CCCCOc1ccccc1OC[C@H](O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565716 562034280 /nfs/dbraw/zinc/03/42/80/562034280.db2.gz NHMBRKFMTPPSQN-HHHXNRCGSA-N 0 3 546.687 5.719 1 0 KKAFHN COc1cc(NCCCCCCN2CCN(CCCCCCNc3cc(OC)cc4c(C)ccnc34)CC2)c2nccc(C)c2c1 ZINC000029566225 562034485 /nfs/dbraw/zinc/03/44/85/562034485.db2.gz SYHRBMHQKYRHDN-UHFFFAOYSA-N 0 3 626.890 7.679 1 0 KKAFHN CCOC(=O)COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569592 562035317 /nfs/dbraw/zinc/03/53/17/562035317.db2.gz XHYFULXHOBTXHZ-UHFFFAOYSA-N 0 3 530.644 5.285 1 0 KKAFHN COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccccc1 ZINC000034638161 562039385 /nfs/dbraw/zinc/03/93/85/562039385.db2.gz VPZIAIQZWHQVKN-IXCJQBJRSA-N 0 3 505.456 5.977 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc21 ZINC000036161727 562048921 /nfs/dbraw/zinc/04/89/21/562048921.db2.gz KWUDOKOIFMMBSB-CZNDPXEESA-N 0 3 567.755 6.039 1 0 KKAFHN CC(C)CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036188212 562050909 /nfs/dbraw/zinc/05/09/09/562050909.db2.gz ATMSNHXEYRRTQU-UHFFFAOYSA-N 0 3 522.480 6.142 1 0 KKAFHN CN(C[C@@H](CCN1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322384 562055196 /nfs/dbraw/zinc/05/51/96/562055196.db2.gz VDGIWFABCWUAFZ-RPWUZVMVSA-N 0 3 551.518 6.632 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(F)cc1 ZINC000036338856 562057590 /nfs/dbraw/zinc/05/75/90/562057590.db2.gz YKIIROJVKKTKLM-UHFFFAOYSA-N 0 3 530.673 5.260 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(F)cc1 ZINC000036338856 562057591 /nfs/dbraw/zinc/05/75/91/562057591.db2.gz YKIIROJVKKTKLM-UHFFFAOYSA-N 0 3 530.673 5.260 1 0 KKAFHN Cc1cccc(N(C)C(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338876 562057634 /nfs/dbraw/zinc/05/76/34/562057634.db2.gz FGFDHWMIOOKYRG-UHFFFAOYSA-N 0 3 540.737 5.453 1 0 KKAFHN Cc1cccc(N(C)C(=O)N(C)Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338876 562057636 /nfs/dbraw/zinc/05/76/36/562057636.db2.gz FGFDHWMIOOKYRG-UHFFFAOYSA-N 0 3 540.737 5.453 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc21 ZINC000036349218 562057831 /nfs/dbraw/zinc/05/78/31/562057831.db2.gz GVJSNYBRUNZPPQ-WJOKGBTCSA-N 0 3 556.714 5.883 1 0 KKAFHN COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000036349232 562057879 /nfs/dbraw/zinc/05/78/79/562057879.db2.gz FCJVKIMYXMJFFZ-WJOKGBTCSA-N 0 3 619.770 5.619 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C(C)(C)C)c4)C[C@H]23)CC1 ZINC000036351560 562058636 /nfs/dbraw/zinc/05/86/36/562058636.db2.gz WAZISUGLKFROPV-LXPNYDBHSA-N 0 3 584.180 6.055 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5onc(N)c5c4)C[C@H]23)CC1 ZINC000036351585 562058689 /nfs/dbraw/zinc/05/86/89/562058689.db2.gz ZLLBDCVHUSTQSG-MBEZDYHHSA-N 0 3 574.623 5.160 1 0 KKAFHN CC(C)(C)c1ccc(C(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000036476050 562060844 /nfs/dbraw/zinc/06/08/44/562060844.db2.gz GPVUPWDIARYBQH-UHFFFAOYSA-N 0 3 522.137 5.425 1 0 KKAFHN COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000038146149 562064874 /nfs/dbraw/zinc/06/48/74/562064874.db2.gz OZKLKDLVQYRQOC-QCENPCRXSA-N 0 3 565.714 5.803 3 0 KKAFHN COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000038146126 562064878 /nfs/dbraw/zinc/06/48/78/562064878.db2.gz UANFULIBDKUDQO-BHDXBOSCSA-N 0 3 565.714 5.803 3 0 KKAFHN COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000038146161 562064934 /nfs/dbraw/zinc/06/49/34/562064934.db2.gz IXEGOJCKIOCKJP-BHDXBOSCSA-N 0 3 565.714 5.803 3 0 KKAFHN COC[C@H]1CCCN1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1C ZINC000038149680 562066041 /nfs/dbraw/zinc/06/60/41/562066041.db2.gz JNHZMEBIKUJAIN-JOCHJYFZSA-N 0 3 519.070 5.870 1 0 KKAFHN CC(C)CCN(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000038150639 562066443 /nfs/dbraw/zinc/06/64/43/562066443.db2.gz VULRFDUFJCQCEM-WUFINQPMSA-N 0 3 537.745 5.240 1 0 KKAFHN CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157516 562069307 /nfs/dbraw/zinc/06/93/07/562069307.db2.gz OIQRRPTWMZBNMA-RBISFHTESA-N 0 3 528.759 5.323 1 0 KKAFHN NC(=O)c1cccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CCN(CC4CC4)CC3)cc2)c1 ZINC000038157852 562069625 /nfs/dbraw/zinc/06/96/25/562069625.db2.gz AGMAFERLZIQTJG-UHFFFAOYSA-N 0 3 548.584 6.794 1 0 KKAFHN Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)s2)cc1 ZINC000038391701 562071886 /nfs/dbraw/zinc/07/18/86/562071886.db2.gz ATULXEYLXXNOLJ-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1ccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)s2)cc1 ZINC000038391701 562071887 /nfs/dbraw/zinc/07/18/87/562071887.db2.gz ATULXEYLXXNOLJ-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN COc1cccc2c(-c3ccc4c(c3OCc3ccc(Cl)cc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000039184014 562072776 /nfs/dbraw/zinc/07/27/76/562072776.db2.gz LSNLZUXBZKOTPR-WOJBJXKFSA-N 0 3 502.054 7.660 1 0 KKAFHN CCN(C(=O)Cc1cccc(Cl)c1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380040 562073406 /nfs/dbraw/zinc/07/34/06/562073406.db2.gz BKSQFACSRZWUHK-DWACAAAGSA-N 0 3 510.122 5.632 1 0 KKAFHN CCN(CC)C[C@@H](O)CSC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422445 562076025 /nfs/dbraw/zinc/07/60/25/562076025.db2.gz LLMCAXLJBYLHOZ-GGAORHGYSA-N 0 3 514.679 5.868 1 0 KKAFHN COCCNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875782 562082163 /nfs/dbraw/zinc/08/21/63/562082163.db2.gz RYSIREMKKVFZGH-ONCRSHKTSA-N 0 3 523.504 6.410 1 0 KKAFHN COc1cc(-n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040567637 562078137 /nfs/dbraw/zinc/07/81/37/562078137.db2.gz WYTOUMBPVYBMOE-UHFFFAOYSA-N 0 3 515.557 5.616 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC[C@@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040640910 562078705 /nfs/dbraw/zinc/07/87/05/562078705.db2.gz JKVMLYRCSNRRJI-QHCPKHFHSA-N 0 3 523.620 5.983 1 0 KKAFHN CCCCCCOc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040860454 562080677 /nfs/dbraw/zinc/08/06/77/562080677.db2.gz JGKSPPGFYBGXLZ-UHFFFAOYSA-N 0 3 525.781 7.784 1 0 KKAFHN CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)C)CC1 ZINC000040864159 562081206 /nfs/dbraw/zinc/08/12/06/562081206.db2.gz SVFWXPKDJMPRAO-AOYPEHQESA-N 0 3 506.518 5.331 1 0 KKAFHN COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc21 ZINC000042806095 562089395 /nfs/dbraw/zinc/08/93/95/562089395.db2.gz DVUHFGSLDSLHHD-UHFFFAOYSA-N 0 3 602.542 7.049 1 0 KKAFHN CC(C)C(=O)O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040979186 562087339 /nfs/dbraw/zinc/08/73/39/562087339.db2.gz HNQYTVPEOUBBMB-HKBQPEDESA-N 0 3 535.679 6.441 1 0 KKAFHN O=C(NC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043023593 562645009 /nfs/dbraw/zinc/64/50/09/562645009.db2.gz HRZRYVPXWIYFIB-UHFFFAOYSA-N 0 3 532.610 6.549 1 0 KKAFHN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043062450 562645206 /nfs/dbraw/zinc/64/52/06/562645206.db2.gz PFTYUXPUTSSSAS-MHZLTWQESA-N 0 3 536.602 5.398 1 0 KKAFHN Cc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(NC2CCCCC2)n1 ZINC000043120479 562646077 /nfs/dbraw/zinc/64/60/77/562646077.db2.gz VFFHCGPPCOGILD-AVRWGWEMSA-N 0 3 527.938 7.772 1 0 KKAFHN COc1ccc(CNCCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)cc1 ZINC000043132749 562646329 /nfs/dbraw/zinc/64/63/29/562646329.db2.gz FSUFOQPLZDXJSH-UHFFFAOYSA-N 0 3 619.747 5.693 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc([C@@]3(O)CCNC[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000043171037 562646546 /nfs/dbraw/zinc/64/65/46/562646546.db2.gz BUELDWWCLYPLID-YDYNHKSESA-N 0 3 597.583 6.365 1 0 KKAFHN COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(CCNc3c4ccc(Cl)cc4nc4c3CCCC4)CC1)C2 ZINC000043174936 562646595 /nfs/dbraw/zinc/64/65/95/562646595.db2.gz FNBJPXIAYRUTAU-QFIPXVFZSA-N 0 3 548.127 6.353 1 0 KKAFHN CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)CC(C)(C)O2 ZINC000043203227 562646975 /nfs/dbraw/zinc/64/69/75/562646975.db2.gz MNENNUUKHSBOKZ-BEOVBFIISA-N 0 3 557.820 5.855 1 0 KKAFHN C[C@@H](c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043532257 562649290 /nfs/dbraw/zinc/64/92/90/562649290.db2.gz YTFQQHHEZZQZGZ-SANMLTNESA-N 0 3 603.184 7.392 1 0 KKAFHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000043620359 562650228 /nfs/dbraw/zinc/65/02/28/562650228.db2.gz ZNMWOXHKUMOSNW-WJOKGBTCSA-N 0 3 621.226 5.176 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651227 /nfs/dbraw/zinc/65/12/27/562651227.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 0 3 526.743 5.943 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCC(O)CC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000044281565 562653132 /nfs/dbraw/zinc/65/31/32/562653132.db2.gz DPYBSRNXAWRENB-UHFFFAOYSA-N 0 3 624.713 5.752 1 0 KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@]3(C)CCCN3CC(C)C)ncn2)s1 ZINC000044305185 562653389 /nfs/dbraw/zinc/65/33/89/562653389.db2.gz BEXYIRSMMSBHSQ-LJAQVGFWSA-N 0 3 612.678 6.972 1 0 KKAFHN O=C(O[C@@H](Cc1ccccc1)CN1CCN(CCCCn2c3ccccc3c3ccccc32)CC1)c1ccccc1 ZINC000044306457 562653768 /nfs/dbraw/zinc/65/37/68/562653768.db2.gz SOBFYVRPTUPRPS-HKBQPEDESA-N 0 3 545.727 6.661 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000044307429 562653982 /nfs/dbraw/zinc/65/39/82/562653982.db2.gz DGQHZKPIIBXKQO-UHFFFAOYSA-N 0 3 606.554 6.419 1 0 KKAFHN CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC(C)C)CC(C)C)CC1 ZINC000044350873 562654423 /nfs/dbraw/zinc/65/44/23/562654423.db2.gz FGXQJHMIILSOPC-SSEXGKCCSA-N 0 3 574.637 7.096 1 0 KKAFHN CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC2CC2)CC2CC2)CC1 ZINC000044358366 562655326 /nfs/dbraw/zinc/65/53/26/562655326.db2.gz BOJAUQCIFHEPGT-FIRIVFDPSA-N 0 3 572.621 6.455 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000044406142 562656825 /nfs/dbraw/zinc/65/68/25/562656825.db2.gz GSMNVYBDJYKVCY-NPLMNSEMSA-N 0 3 527.709 6.270 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000044406142 562656826 /nfs/dbraw/zinc/65/68/26/562656826.db2.gz GSMNVYBDJYKVCY-NPLMNSEMSA-N 0 3 527.709 6.270 1 0 KKAFHN CCN(CCCCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416917 562657036 /nfs/dbraw/zinc/65/70/36/562657036.db2.gz HEFQMXPMNNIPRC-UHFFFAOYSA-N 0 3 582.214 6.380 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417182 562657058 /nfs/dbraw/zinc/65/70/58/562657058.db2.gz HTMDNDFAQVGELR-ILJQZKEFSA-N 0 3 526.725 6.005 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417182 562657059 /nfs/dbraw/zinc/65/70/59/562657059.db2.gz HTMDNDFAQVGELR-ILJQZKEFSA-N 0 3 526.725 6.005 1 0 KKAFHN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000044418652 562657346 /nfs/dbraw/zinc/65/73/46/562657346.db2.gz FVTAFOSCFIQSHW-TUMTZTIRSA-N 0 3 548.665 6.764 1 0 KKAFHN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000044418652 562657347 /nfs/dbraw/zinc/65/73/47/562657347.db2.gz FVTAFOSCFIQSHW-TUMTZTIRSA-N 0 3 548.665 6.764 1 0 KKAFHN O=C(N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000044431656 562657903 /nfs/dbraw/zinc/65/79/03/562657903.db2.gz HIMZSVHQBCOUSW-DEOSSOPVSA-N 0 3 617.415 6.804 1 0 KKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167585 562657996 /nfs/dbraw/zinc/65/79/96/562657996.db2.gz IKDJAOXFRNRZIU-NDEPHWFRSA-N 0 3 533.738 6.163 1 0 KKAFHN CCCCCN1CCCC[C@H](NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045191188 562658591 /nfs/dbraw/zinc/65/85/91/562658591.db2.gz JXHFQTBGHGKBPZ-QFIPXVFZSA-N 0 3 511.610 5.281 1 0 KKAFHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045191930 562658626 /nfs/dbraw/zinc/65/86/26/562658626.db2.gz FKFMWAPZMDBNNB-UHFFFAOYSA-N 0 3 509.437 5.940 1 0 KKAFHN COc1ccccc1-c1cccc2c(NC(=O)Nc3ccc4nccc(N5CCN(C)CC5)c4c3)ccnc21 ZINC000045228127 562659453 /nfs/dbraw/zinc/65/94/53/562659453.db2.gz WKBMOFKGZJTGCY-UHFFFAOYSA-N 0 3 518.621 5.854 1 0 KKAFHN CC(C)(C)OC(=O)n1ccc2cc(CNC[C@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045290934 562660318 /nfs/dbraw/zinc/66/03/18/562660318.db2.gz QZHOOQCSGZGSKN-VWLOTQADSA-N 0 3 516.429 5.000 1 0 KKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045320287 562660989 /nfs/dbraw/zinc/66/09/89/562660989.db2.gz ZBPAXTBKDMNFAU-UHFFFAOYSA-N 0 3 534.726 5.343 1 0 KKAFHN CCCCCN1CCC[C@@H](CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000045323498 562661158 /nfs/dbraw/zinc/66/11/58/562661158.db2.gz PRVWPDNOPRWOEL-IBGZPJMESA-N 0 3 511.610 5.138 1 0 KKAFHN CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045372680 562662222 /nfs/dbraw/zinc/66/22/22/562662222.db2.gz UJYACQJRWYJEAI-UHFFFAOYSA-N 0 3 515.654 5.369 1 0 KKAFHN Cc1cc2nc(N3CCCC[C@@H]3CN(C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384717 562662342 /nfs/dbraw/zinc/66/23/42/562662342.db2.gz LKPKWKNXRZOSEF-XMMPIXPASA-N 0 3 532.773 6.757 1 0 KKAFHN O=C(Cc1ccccc1)N(CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000045496563 562662688 /nfs/dbraw/zinc/66/26/88/562662688.db2.gz LAEOAKVXHHPUIC-UHFFFAOYSA-N 0 3 519.689 5.119 1 0 KKAFHN COc1ccc(CC(=O)N[C@@H](CCN2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000048307393 562663089 /nfs/dbraw/zinc/66/30/89/562663089.db2.gz BITCAVWAYASRBK-MHZLTWQESA-N 0 3 646.637 5.614 1 0 KKAFHN CCCC[C@H]1N(Cc2ccccc2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016918 562663299 /nfs/dbraw/zinc/66/32/99/562663299.db2.gz OVAAQBKFWMSBDM-MUUNZHRXSA-N 0 3 517.714 5.954 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(C)(C)C)cc4)C3)n2C)n1 ZINC000049034153 562663487 /nfs/dbraw/zinc/66/34/87/562663487.db2.gz DRKUAUJUSZGTGW-QXNWPYRLSA-N 0 3 511.739 6.392 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4cccc5cc(C(F)(F)F)cnc54)CC3)CC2)c1 ZINC000049068710 562664009 /nfs/dbraw/zinc/66/40/09/562664009.db2.gz YMMDYYYQPNEQIT-UHFFFAOYSA-N 0 3 521.587 5.601 1 0 KKAFHN c1ccc(CNCc2ccc(CN(CCCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664298 /nfs/dbraw/zinc/66/42/98/562664298.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 0 3 516.693 6.155 1 0 KKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](Cc2cccc(NC(C)=O)c2)CC3)cc1 ZINC000049089694 562664473 /nfs/dbraw/zinc/66/44/73/562664473.db2.gz JWVAOOHPEPQNQV-UHFFFAOYSA-N 0 3 505.684 5.389 1 0 KKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](Cc2cccc(NC(C)=O)c2)CC3)cc1 ZINC000049089694 562664474 /nfs/dbraw/zinc/66/44/74/562664474.db2.gz JWVAOOHPEPQNQV-UHFFFAOYSA-N 0 3 505.684 5.389 1 0 KKAFHN Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)nc1OCc1c(Cl)cccc1Cl ZINC000049110574 562664539 /nfs/dbraw/zinc/66/45/39/562664539.db2.gz DUKXMVRXTBCVNH-FQEVSTJZSA-N 0 3 526.468 5.312 1 0 KKAFHN Cc1cc(C)c(NC(=O)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000049604917 562665073 /nfs/dbraw/zinc/66/50/73/562665073.db2.gz JLEHUNZWGGPSBR-PKNBQFBNSA-N 0 3 545.555 6.458 1 0 KKAFHN CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)c(F)c(N2CCCC2=O)c1 ZINC000049605053 562665253 /nfs/dbraw/zinc/66/52/53/562665253.db2.gz PXFIIQOMCJNZLW-MFMCTBQISA-N 0 3 575.725 5.141 1 0 KKAFHN CN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605159 562665430 /nfs/dbraw/zinc/66/54/30/562665430.db2.gz HDOPBXRWNOAGRK-UHFFFAOYSA-N 0 3 674.714 7.269 1 0 KKAFHN Oc1ccc(CCNc2nc(NCc3ccccc3Oc3ccc(C(F)(F)F)cc3)nc(N3CCNCC3)n2)cc1 ZINC000049605375 562665809 /nfs/dbraw/zinc/66/58/09/562665809.db2.gz TYCTXTVVWHYJDN-UHFFFAOYSA-N 0 3 565.600 5.065 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)s2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049605786 562666369 /nfs/dbraw/zinc/66/63/69/562666369.db2.gz RONAJEJBMJJSHK-UHFFFAOYSA-N 0 3 649.207 7.212 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)c1 ZINC000049615512 562666653 /nfs/dbraw/zinc/66/66/53/562666653.db2.gz MAFUFEDZAYCCOR-CXPHJMNTSA-N 0 3 647.694 5.298 1 0 KKAFHN O=C(NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049615471 562666656 /nfs/dbraw/zinc/66/66/56/562666656.db2.gz WKWQTNVUORLIAM-UHFFFAOYSA-N 0 3 653.654 9.363 1 0 KKAFHN O=C(NCCCCN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000049626559 562667253 /nfs/dbraw/zinc/66/72/53/562667253.db2.gz VEYRNVFGHAWMNB-RMKNXTFCSA-N 0 3 565.545 6.087 1 0 KKAFHN c1ccc(-c2cc(NCCCCCCCCNc3cc(-c4ccccc4)nc4ccccc43)c3ccccc3n2)cc1 ZINC000049639243 562667739 /nfs/dbraw/zinc/66/77/39/562667739.db2.gz FNIDRCPXJSYPFT-UHFFFAOYSA-N 0 3 550.750 9.982 1 0 KKAFHN O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000049639707 562667770 /nfs/dbraw/zinc/66/77/70/562667770.db2.gz XPNGWXVMPJPEMO-UHFFFAOYSA-N 0 3 675.317 9.809 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049650105 562668009 /nfs/dbraw/zinc/66/80/09/562668009.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 0 3 730.833 8.512 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049650210 562668028 /nfs/dbraw/zinc/66/80/28/562668028.db2.gz QOGMKCHLFNJYRM-OIDHKYIRSA-N 0 3 689.800 6.528 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049650231 562668030 /nfs/dbraw/zinc/66/80/30/562668030.db2.gz DBNURGUCIBRASG-PQQNNWGCSA-N 0 3 705.868 6.887 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049669685 562668139 /nfs/dbraw/zinc/66/81/39/562668139.db2.gz JETJWGUSWYCCER-MPQUPPDSSA-N 0 3 677.764 6.659 1 0 KKAFHN CN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049677753 562668316 /nfs/dbraw/zinc/66/83/16/562668316.db2.gz DFVORCVGALOMLM-UHFFFAOYSA-N 0 3 607.457 7.114 1 0 KKAFHN FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1c1ccccc1)c2N1CCN(C2CCCCC2)CC1 ZINC000049695037 562670143 /nfs/dbraw/zinc/67/01/43/562670143.db2.gz ZTFWSADDRRDSDQ-UHFFFAOYSA-N 0 3 538.643 6.245 1 0 KKAFHN CN1CCN(Cc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)cc3)ccc2-c2ccccc2)CC1 ZINC000049710361 562671621 /nfs/dbraw/zinc/67/16/21/562671621.db2.gz XJXZHCYPYIWTPZ-UHFFFAOYSA-N 0 3 530.499 7.327 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049710855 562671844 /nfs/dbraw/zinc/67/18/44/562671844.db2.gz NXBWPAZUEFONEN-DYKQPOOOSA-N 0 3 649.792 5.176 1 0 KKAFHN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710924 562671854 /nfs/dbraw/zinc/67/18/54/562671854.db2.gz WZXINJTXKIEZPD-KSEOMHKRSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049710931 562671871 /nfs/dbraw/zinc/67/18/71/562671871.db2.gz VDHBNTOSNXJAHG-UXBLZVDNSA-N 0 3 588.432 7.005 1 0 KKAFHN O=C(Nc1ccc2ccccc2c1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049710903 562671887 /nfs/dbraw/zinc/67/18/87/562671887.db2.gz CWASXGBLPWOOID-UHFFFAOYSA-N 0 3 586.765 7.574 1 0 KKAFHN C[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1CN1CCC(NC(=O)CC(C)(C)C)CC1)C1CCCCC1 ZINC000049722558 562672185 /nfs/dbraw/zinc/67/21/85/562672185.db2.gz XNGKIRWVFZPRTN-QHCPKHFHSA-N 0 3 574.835 7.179 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)c(F)c1F)CCC2 ZINC000049722725 562672412 /nfs/dbraw/zinc/67/24/12/562672412.db2.gz MTNPUVGXBBZYMR-UHFFFAOYSA-N 0 3 702.765 7.498 1 0 KKAFHN CC(C)(CNC(=O)C1CC[NH+](CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049722832 562672596 /nfs/dbraw/zinc/67/25/96/562672596.db2.gz GXTVZAVNOAHWGN-UHFFFAOYSA-N 0 3 610.105 5.961 1 0 KKAFHN Cc1nc2c(s1)c(=O)cc(CCc1cccc(F)c1F)n2CC(=O)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C(C)C)CC1 ZINC000049722938 562672687 /nfs/dbraw/zinc/67/26/87/562672687.db2.gz FVPHZZFYLUPHSC-UHFFFAOYSA-N 0 3 722.824 8.417 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cccc(C(F)(F)F)c3)CCO2)CC1 ZINC000049723048 562672876 /nfs/dbraw/zinc/67/28/76/562672876.db2.gz RPUAMPNKURYVLZ-MGBGTMOVSA-N 0 3 677.595 8.070 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)cc(F)c1F ZINC000049723226 562673085 /nfs/dbraw/zinc/67/30/85/562673085.db2.gz VPDXIPJRCBYULN-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2ccc(F)c(F)c2F)nc(=O)c2cccnc21 ZINC000049744749 562673501 /nfs/dbraw/zinc/67/35/01/562673501.db2.gz DXKGMBGFIPCAQA-UHFFFAOYSA-N 0 3 695.708 7.050 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@H](NC(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049746034 562674216 /nfs/dbraw/zinc/67/42/16/562674216.db2.gz IWJLSJBNSKIEOP-SANMLTNESA-N 0 3 587.573 6.060 1 0 KKAFHN CCOC(=O)c1cc(COc2cc3c(OCc4cc(C(=O)OCC)no4)cc(C(F)(F)F)nc3c(C(F)(F)F)c2)on1 ZINC000049746494 562674455 /nfs/dbraw/zinc/67/44/55/562674455.db2.gz XYNQTXFHXZSAEQ-UHFFFAOYSA-N 0 3 603.428 5.760 1 0 KKAFHN COc1cc2cccnc2c(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000049746524 562674474 /nfs/dbraw/zinc/67/44/74/562674474.db2.gz NNSXHIDUMYQUHM-HXUWFJFHSA-N 0 3 571.043 8.231 1 0 KKAFHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)o1)c1ccccc1 ZINC000049746724 562674578 /nfs/dbraw/zinc/67/45/78/562674578.db2.gz LZQKSLYUSQCUCN-LJAQVGFWSA-N 0 3 580.088 7.339 1 0 KKAFHN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)(C)C)c3)CCC1)Cc1cccc(c1)OCCCCN2 ZINC000049761861 562676142 /nfs/dbraw/zinc/67/61/42/562676142.db2.gz WTYHKZJTJZAMMO-SZAHLOSFSA-N 0 3 599.816 6.086 1 0 KKAFHN O=C(C[C@H](NCCCCCCCCN[C@@H](CC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000049763096 562676811 /nfs/dbraw/zinc/67/68/11/562676811.db2.gz GXNZUCYHXRTKIT-CXNSMIOJSA-N 0 3 755.016 8.824 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000049766913 562677264 /nfs/dbraw/zinc/67/72/64/562677264.db2.gz KBJCTAIADOTYHC-UHFFFAOYSA-N 0 3 558.683 5.814 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000049768156 562677864 /nfs/dbraw/zinc/67/78/64/562677864.db2.gz NQHMMDRPRXVCLT-UHFFFAOYSA-N 0 3 556.692 5.381 1 0 KKAFHN CCN(C[C@@H](CC1CCCCC1)NC(=O)OCc1cncs1)C[C@@H](CC1CCCCC1)NC(=O)OCc1nccs1 ZINC000049774935 562678781 /nfs/dbraw/zinc/67/87/81/562678781.db2.gz LIXMKOKUEJGOKF-CLJLJLNGSA-N 0 3 605.871 6.752 1 0 KKAFHN CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049775294 562678996 /nfs/dbraw/zinc/67/89/96/562678996.db2.gz ICNXLCSJEDSWTK-IZZNHLLZSA-N 0 3 593.775 5.297 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCN2CCN(C)CC2)ncn1 ZINC000049775395 562679035 /nfs/dbraw/zinc/67/90/35/562679035.db2.gz FILQIUCXPQZUON-UHFFFAOYSA-N 0 3 643.718 6.188 1 0 KKAFHN COc1cc2cccc3c2c(c1)C(=O)N(CC1CCN(C[C@H](O)COc2cccc4[nH]c5ccccc5c42)CC1)C3=O ZINC000049775648 562679171 /nfs/dbraw/zinc/67/91/71/562679171.db2.gz SBAJMOUEQDPSIH-QHCPKHFHSA-N 0 3 563.654 5.231 1 0 KKAFHN O=C(CCOCCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000049775769 562679248 /nfs/dbraw/zinc/67/92/48/562679248.db2.gz YQQLXSBICNXWQG-UHFFFAOYSA-N 0 3 547.143 6.986 1 0 KKAFHN C[C@H](c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049776244 562679295 /nfs/dbraw/zinc/67/92/95/562679295.db2.gz YHPYQGLAAHGHLS-XMMPIXPASA-N 0 3 639.164 7.670 1 0 KKAFHN CN1CCN(Cc2ccc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2)CC1 ZINC000049780440 562681732 /nfs/dbraw/zinc/68/17/32/562681732.db2.gz BUZOTBWJKYSTEL-UHFFFAOYSA-N 0 3 570.619 6.082 1 0 KKAFHN Cc1cc(Cl)c(OCCCc2ccc(C[C@H](CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781109 562682665 /nfs/dbraw/zinc/68/26/65/562682665.db2.gz HHFNUPNPOFOJPD-HSZRJFAPSA-N 0 3 594.410 7.929 1 0 KKAFHN CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781268 562682859 /nfs/dbraw/zinc/68/28/59/562682859.db2.gz LDJHYSRTVHXITO-HHHXNRCGSA-N 0 3 645.071 7.254 1 0 KKAFHN CN(C)CCNc1cc(-c2cc3nccc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)n3n2)ccn1 ZINC000049781294 562682882 /nfs/dbraw/zinc/68/28/82/562682882.db2.gz JJZMISIQDYXLAI-UHFFFAOYSA-N 0 3 545.569 5.703 1 0 KKAFHN O=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)C(=O)CN3)cc1)N1CCC[C@H]1CN1CCCC1 ZINC000049807770 562686479 /nfs/dbraw/zinc/68/64/79/562686479.db2.gz SNQUEHZOAZZJIV-QHCPKHFHSA-N 0 3 564.517 5.715 1 0 KKAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049823276 562687142 /nfs/dbraw/zinc/68/71/42/562687142.db2.gz CPNBSBOGRZLYDZ-UHFFFAOYSA-N 0 3 681.322 5.666 1 0 KKAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049844793 562688623 /nfs/dbraw/zinc/68/86/23/562688623.db2.gz PSHKQRKZPLDLPG-UHFFFAOYSA-N 0 3 681.322 5.666 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CCN1C ZINC000049898844 562692919 /nfs/dbraw/zinc/69/29/19/562692919.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 0 3 652.788 7.171 1 0 KKAFHN Cn1nccc1C(=O)NCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000049917700 562693780 /nfs/dbraw/zinc/69/37/80/562693780.db2.gz LCOORGOJQLVBCB-UHFFFAOYSA-N 0 3 524.572 5.230 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049917732 562693811 /nfs/dbraw/zinc/69/38/11/562693811.db2.gz DWBLHACNFWYUBD-MGBGTMOVSA-N 0 3 600.631 6.926 1 0 KKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(CCN6CCOCC6)CC5)c4)cc3)nc2c1 ZINC000049917871 562694109 /nfs/dbraw/zinc/69/41/09/562694109.db2.gz PSNLCDNYYPPULE-UHFFFAOYSA-N 0 3 549.641 5.366 1 0 KKAFHN FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(CN5CCN(CCN6CCOCC6)CC5)c4)cc3)[nH]c2c1 ZINC000049917871 562694110 /nfs/dbraw/zinc/69/41/10/562694110.db2.gz PSNLCDNYYPPULE-UHFFFAOYSA-N 0 3 549.641 5.366 1 0 KKAFHN COCCN(C)CCCOc1cc2c(cc1OC)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000049918000 562694271 /nfs/dbraw/zinc/69/42/71/562694271.db2.gz USMWVHDMUJVVGK-UHFFFAOYSA-N 0 3 592.640 5.139 1 0 KKAFHN CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OC[C@H]3CCCN3C)cc21 ZINC000049918079 562694418 /nfs/dbraw/zinc/69/44/18/562694418.db2.gz YPAALVSCLPQHDI-JGCGQSQUSA-N 0 3 703.752 7.882 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5s4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049918112 562694457 /nfs/dbraw/zinc/69/44/57/562694457.db2.gz RLEGSRXMQFKDBA-DYKQPOOOSA-N 0 3 665.860 5.644 1 0 KKAFHN CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)o1)c1ccccc1 ZINC000049918105 562694471 /nfs/dbraw/zinc/69/44/71/562694471.db2.gz MYPFYAQWYHZGFS-GDLZYMKVSA-N 0 3 563.633 6.824 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3c2CCCC3)CC1 ZINC000049918155 562694532 /nfs/dbraw/zinc/69/45/32/562694532.db2.gz KJELKMMJZHAFEK-UHFFFAOYSA-N 0 3 691.785 7.989 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCCN1CCN(CCCN(Cc2cccc(Oc3ccccc3)c2)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000049938422 562695309 /nfs/dbraw/zinc/69/53/09/562695309.db2.gz AOAAPUUOAQPXBG-UHFFFAOYSA-N 0 3 726.365 9.985 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 ZINC000053025963 562696140 /nfs/dbraw/zinc/69/61/40/562696140.db2.gz IEMSLTPIYQZIGD-UHFFFAOYSA-N 0 3 539.935 6.689 1 0 KKAFHN COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc21 ZINC000053281978 562697157 /nfs/dbraw/zinc/69/71/57/562697157.db2.gz RDCUCMDUDZPOOV-UHFFFAOYSA-N 0 3 514.678 5.155 1 0 in-vitro KKAFHN CC1(NC(=O)c2ccc(C(F)(F)F)cc2)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053314209 562697641 /nfs/dbraw/zinc/69/76/41/562697641.db2.gz YGJHTISTFGWVLW-SANMLTNESA-N 0 3 547.637 6.257 1 0 KKAFHN CS(=O)(=O)CCn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058582844 562700002 /nfs/dbraw/zinc/70/00/02/562700002.db2.gz GCJWVHHCXCAOLA-UHFFFAOYSA-N 0 3 666.071 5.773 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033356 562701603 /nfs/dbraw/zinc/70/16/03/562701603.db2.gz SRECBNFATAVTCU-QHCPKHFHSA-N 0 3 549.756 6.981 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033356 562701604 /nfs/dbraw/zinc/70/16/04/562701604.db2.gz SRECBNFATAVTCU-QHCPKHFHSA-N 0 3 549.756 6.981 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033314 562701649 /nfs/dbraw/zinc/70/16/49/562701649.db2.gz YJCSDJWCEZYZLC-RUZDIDTESA-N 0 3 548.768 7.823 1 0 KKAFHN COC(=O)c1cccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796293 562702294 /nfs/dbraw/zinc/70/22/94/562702294.db2.gz LSIDHJBKTOAZTN-FSOZDLKISA-N 0 3 568.639 7.576 3 0 KKAFHN O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061903054 562702967 /nfs/dbraw/zinc/70/29/67/562702967.db2.gz MMSCUXAIYVHNAD-LJAQVGFWSA-N 0 3 517.094 7.312 3 0 KKAFHN Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064436753 562705226 /nfs/dbraw/zinc/70/52/26/562705226.db2.gz OKXYKSQQZLCBJK-GOTSBHOMSA-N 0 3 512.621 5.203 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc([C@]3(O)CCNC[C@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000064513763 562706493 /nfs/dbraw/zinc/70/64/93/562706493.db2.gz BUELDWWCLYPLID-QPQHGXMVSA-N 0 3 597.583 6.365 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074416 562709783 /nfs/dbraw/zinc/70/97/83/562709783.db2.gz HHPXXUVAVCXMQF-HKBQPEDESA-N 0 3 631.652 6.909 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5)CC4)nn2)c1-3 ZINC000066074419 562709846 /nfs/dbraw/zinc/70/98/46/562709846.db2.gz BEKQWPIRNPOIER-JGCGQSQUSA-N 0 3 562.762 5.602 1 0 KKAFHN O=C(Nc1cccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 ZINC000066075100 562709931 /nfs/dbraw/zinc/70/99/31/562709931.db2.gz RHAYOMZUUNTCTB-LJAQVGFWSA-N 0 3 548.643 5.011 1 0 KKAFHN CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000066076359 562710146 /nfs/dbraw/zinc/71/01/46/562710146.db2.gz PRUZMBQKWACJQU-MHZLTWQESA-N 0 3 623.585 6.339 1 0 KKAFHN CCc1nc(Cc2ccccc2)cn1C1CCN(CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097304 562710768 /nfs/dbraw/zinc/71/07/68/562710768.db2.gz NVLXALPQAJFRPI-LJAQVGFWSA-N 0 3 556.776 5.826 1 0 KKAFHN CC(C)c1ccc(-c2ccc(NC(=O)[C@@H](NCCN3CCCCC3)c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)cc2)cc1 ZINC000066101595 562711386 /nfs/dbraw/zinc/71/13/86/562711386.db2.gz BYWHBBZUWYOAJA-YBOCLADASA-N 0 3 615.822 7.466 1 0 KKAFHN C[C@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066104966 562711760 /nfs/dbraw/zinc/71/17/60/562711760.db2.gz BNJAETMQKIKKSN-SFHVURJKSA-N 0 3 538.570 5.756 1 0 KKAFHN Cc1ccccc1N1CCN(CCCCOc2ccc3c(=O)cc(-c4ccc(Cl)cc4)oc3c2)CC1 ZINC000066112625 562712060 /nfs/dbraw/zinc/71/20/60/562712060.db2.gz IDAIUZRELPARKL-UHFFFAOYSA-N 0 3 503.042 6.403 1 0 KKAFHN O=C(Nc1cccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000066112932 562712152 /nfs/dbraw/zinc/71/21/52/562712152.db2.gz JFKRRSJQKDTYKH-LJAQVGFWSA-N 0 3 550.615 5.536 1 0 KKAFHN CCC(=O)N(CCCCCCCCCNC(=O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000066113949 562712301 /nfs/dbraw/zinc/71/23/01/562712301.db2.gz KBCZJJANDBLWLP-UHFFFAOYSA-N 0 3 501.756 6.188 1 0 KKAFHN CCC(=O)N(CCCCCCCCCCCCNC(=O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000066122909 562712397 /nfs/dbraw/zinc/71/23/97/562712397.db2.gz WSOSSXKWFYXKSH-UHFFFAOYSA-N 0 3 543.837 7.358 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@H](O)c2ccc(Br)cc2)CC1 ZINC000071330886 562719201 /nfs/dbraw/zinc/71/92/01/562719201.db2.gz SBVFNLJIIJHIAV-SPLOXXLWSA-N 0 3 515.279 5.105 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066148490 562713648 /nfs/dbraw/zinc/71/36/48/562713648.db2.gz NLDQNXPJJNOIIK-BRUQSJHLSA-N 0 3 578.713 5.353 3 0 KKAFHN CCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066148935 562713722 /nfs/dbraw/zinc/71/37/22/562713722.db2.gz YZUXHOREZMQYCG-UHFFFAOYSA-N 0 3 521.727 5.148 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000068246652 562716145 /nfs/dbraw/zinc/71/61/45/562716145.db2.gz XQJYPYVXYANJRR-MYVCOICNSA-N 0 3 662.054 6.590 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330043 562719088 /nfs/dbraw/zinc/71/90/88/562719088.db2.gz NKCYWBUHTRUFPD-HXUWFJFHSA-N 0 3 590.393 6.831 1 0 KKAFHN CN(CC[C@@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330138 562719105 /nfs/dbraw/zinc/71/91/05/562719105.db2.gz KROSHEKWTTXFGB-XMMPIXPASA-N 0 3 512.500 6.547 1 0 KKAFHN O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072104493 562720485 /nfs/dbraw/zinc/72/04/85/562720485.db2.gz CXQUFXAIHBRRMW-VJGNERBWSA-N 0 3 509.050 5.218 1 0 KKAFHN Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072105157 562720700 /nfs/dbraw/zinc/72/07/00/562720700.db2.gz HJLIQEBRJUVETG-SPWOZAQASA-N 0 3 720.021 6.031 3 0 KKAFHN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072113823 562722491 /nfs/dbraw/zinc/72/24/91/562722491.db2.gz IYLTTYPBTAYEBL-RSQQNEHOSA-N 0 3 574.772 6.943 1 0 KKAFHN CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072122037 562724323 /nfs/dbraw/zinc/72/43/23/562724323.db2.gz QRMADVQLXBNEPI-UHFFFAOYSA-N 0 3 587.634 6.720 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072124322 562725034 /nfs/dbraw/zinc/72/50/34/562725034.db2.gz LRORJSKSVZGRTN-BUEREQSYSA-N 0 3 573.553 5.017 3 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127030 562725655 /nfs/dbraw/zinc/72/56/55/562725655.db2.gz RYDIFBSRXOKUDD-WISKXVKBSA-N 0 3 730.057 6.233 3 0 KKAFHN Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134220 562727283 /nfs/dbraw/zinc/72/72/83/562727283.db2.gz JMUQRGSDGTXYBZ-SPWOZAQASA-N 0 3 726.069 6.759 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072135775 562727552 /nfs/dbraw/zinc/72/75/52/562727552.db2.gz JVYPBTFUSNVQST-WISKXVKBSA-N 0 3 670.005 6.129 3 0 KKAFHN Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135852 562727598 /nfs/dbraw/zinc/72/75/98/562727598.db2.gz ROVGVQKXMAMTLO-BQYLNSIHSA-N 0 3 712.042 6.369 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072136132 562727791 /nfs/dbraw/zinc/72/77/91/562727791.db2.gz OMPYFAIFRLVIFJ-DNHJLFCISA-N 0 3 621.741 5.895 3 0 KKAFHN COc1cccc(CN(C)C[C@@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000072139444 562728932 /nfs/dbraw/zinc/72/89/32/562728932.db2.gz DIYZUOHLOSFTTI-OXYPMYLPSA-N 0 3 555.719 5.344 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072141711 562729432 /nfs/dbraw/zinc/72/94/32/562729432.db2.gz VSOPVNLTBVGPHU-GJBCSVNNSA-N 0 3 635.988 5.932 3 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)Cc2ccccc2-1 ZINC000072142812 562729645 /nfs/dbraw/zinc/72/96/45/562729645.db2.gz QUXSCHHIUKJGMX-UHFFFAOYSA-N 0 3 595.618 10.014 1 0 KKAFHN COc1cc([C@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144109 562729718 /nfs/dbraw/zinc/72/97/18/562729718.db2.gz KYSNZZSMILMJBY-ROJLCIKYSA-N 0 3 695.857 6.581 3 0 KKAFHN C[NH+](C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2[N-]C(=S)C3)ccc1C(F)(F)F ZINC000073199958 562736068 /nfs/dbraw/zinc/73/60/68/562736068.db2.gz KFJDFQDPJGBOJE-UHFFFAOYSA-N 0 3 505.997 6.349 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172004 562730560 /nfs/dbraw/zinc/73/05/60/562730560.db2.gz JSMYFJXDBDPWRP-DEOSSOPVSA-N 0 3 528.605 5.511 1 0 KKAFHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@@H]4CN4CCCC4)cc3OC(F)(F)F)nc1-2 ZINC000072176257 562731544 /nfs/dbraw/zinc/73/15/44/562731544.db2.gz WZZWJWWPQJVGAJ-HHHXNRCGSA-N 0 3 716.809 6.695 1 0 KKAFHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@@H]4CN4CCCC4)cc3OC)nc1-2 ZINC000072178494 562732054 /nfs/dbraw/zinc/73/20/54/562732054.db2.gz LTKUHPWNVCRTSA-MUUNZHRXSA-N 0 3 662.839 5.805 1 0 KKAFHN Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000072181233 562732645 /nfs/dbraw/zinc/73/26/45/562732645.db2.gz LEOYSIFOGSUSDO-XZIGRVIRSA-N 0 3 641.621 5.754 1 0 KKAFHN CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O ZINC000073156780 562733842 /nfs/dbraw/zinc/73/38/42/562733842.db2.gz RZGMTOUZICFOSQ-JWDVHEBFSA-N 0 3 621.769 5.192 1 0 KKAFHN O=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCN(C(=O)c1ccccc1)CC2 ZINC000073196258 562735095 /nfs/dbraw/zinc/73/50/95/562735095.db2.gz ZIYJTXYUZSCVHR-UHFFFAOYSA-N 0 3 515.097 6.424 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(C)ccc4c3=O)CC2)c1 ZINC000073220717 562736243 /nfs/dbraw/zinc/73/62/43/562736243.db2.gz IBZBJTNMIVRHAR-UHFFFAOYSA-N 0 3 529.084 6.253 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)c(Cl)c4)c4ccccc4c3=O)CC2)c1 ZINC000073224304 562736624 /nfs/dbraw/zinc/73/66/24/562736624.db2.gz JSBHQOJTHCQAQJ-UHFFFAOYSA-N 0 3 549.502 6.598 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000073224334 562736673 /nfs/dbraw/zinc/73/66/73/562736673.db2.gz YKQYCTMUTTZAIB-AREMUKBSSA-N 0 3 502.018 5.260 1 0 KKAFHN Cn1cc(-c2ccc(CN3CCC4(CC3)O[C@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)cn1 ZINC000073291783 562737518 /nfs/dbraw/zinc/73/75/18/562737518.db2.gz HJYIIXLZZZMLKU-HHHXNRCGSA-N 0 3 505.449 6.400 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CNC4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140475 562739443 /nfs/dbraw/zinc/73/94/43/562739443.db2.gz BNEOQGQIDGGDLZ-GDLZYMKVSA-N 0 3 673.041 5.556 1 0 KKAFHN COC(=O)c1ccc(N(Cc2ccccc2)C2CCN([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC000082154130 562740269 /nfs/dbraw/zinc/74/02/69/562740269.db2.gz LRBNIEPMSKOVLH-OAQYLSRUSA-N 0 3 569.533 5.855 1 0 KKAFHN CSc1ccc(-c2nn(CCCN3CCC(c4cccc(NC(C)=O)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000082157681 562740970 /nfs/dbraw/zinc/74/09/70/562740970.db2.gz KUJVSGCQMWXWPP-UHFFFAOYSA-N 0 3 526.706 6.014 1 0 KKAFHN Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCCC3)[nH]nc21 ZINC000084596860 562743844 /nfs/dbraw/zinc/74/38/44/562743844.db2.gz QHKIPJGWHPLRLD-WJOKGBTCSA-N 0 3 593.732 5.795 1 0 KKAFHN CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084616323 562744621 /nfs/dbraw/zinc/74/46/21/562744621.db2.gz NAEPLFSVLMJEKM-NSOVKSMOSA-N 0 3 621.745 5.138 1 0 KKAFHN O=C(NCCCCCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084632496 562745566 /nfs/dbraw/zinc/74/55/66/562745566.db2.gz HLLTYAHEUKVLCF-UHFFFAOYSA-N 0 3 553.747 7.963 1 0 KKAFHN C[C@H](Oc1cc(-c2nc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655411 562747470 /nfs/dbraw/zinc/74/74/70/562747470.db2.gz BXNYUDMLUGTVPR-HNNXBMFYSA-N 0 3 541.599 5.774 1 0 KKAFHN Cc1n[nH]cc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000084669686 562748056 /nfs/dbraw/zinc/74/80/56/562748056.db2.gz YAUSWTKLGZTLTH-XIFFEERXSA-N 0 3 582.793 7.363 1 0 KKAFHN Cn1cc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cn1 ZINC000084670405 562748293 /nfs/dbraw/zinc/74/82/93/562748293.db2.gz OMNJRDJYVSDTRG-XIFFEERXSA-N 0 3 582.793 7.065 1 0 KKAFHN CCCCCC[C@H](CN1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084670535 562748311 /nfs/dbraw/zinc/74/83/11/562748311.db2.gz LOLZEDSJRXPDOV-AREMUKBSSA-N 0 3 501.067 6.096 1 0 KKAFHN COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)N1C ZINC000084670872 562748428 /nfs/dbraw/zinc/74/84/28/562748428.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 0 3 638.761 6.523 1 0 KKAFHN Cc1ccc(CN(CCCOc2ccc(Br)cc2)C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000084706904 562750045 /nfs/dbraw/zinc/75/00/45/562750045.db2.gz NMAPRFKGBGQHBH-MUUNZHRXSA-N 0 3 571.466 5.486 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4ccc(-c5ncccn5)cc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710703 562750577 /nfs/dbraw/zinc/75/05/77/562750577.db2.gz VMBVYIUKVXLQTB-JGCGQSQUSA-N 0 3 563.061 6.364 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cccnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084711156 562750636 /nfs/dbraw/zinc/75/06/36/562750636.db2.gz DSIICHITQDHXRE-MGBGTMOVSA-N 0 3 562.073 6.969 1 0 KKAFHN Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)cc1 ZINC000084723428 562751066 /nfs/dbraw/zinc/75/10/66/562751066.db2.gz XSJWMYWMOTWCAL-NDEPHWFRSA-N 0 3 502.977 6.046 1 0 KKAFHN Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)c(F)c1 ZINC000084723433 562751092 /nfs/dbraw/zinc/75/10/92/562751092.db2.gz NQESPVWTXKDFFE-NDEPHWFRSA-N 0 3 520.967 6.185 1 0 KKAFHN CCCC[C@H](CN1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084759393 562752887 /nfs/dbraw/zinc/75/28/87/562752887.db2.gz MNYSWZUJUHSRKV-JOCHJYFZSA-N 0 3 507.458 5.969 1 0 KKAFHN CC(C)(C)c1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084759503 562752975 /nfs/dbraw/zinc/75/29/75/562752975.db2.gz AMMLIKZUXHUTJS-UHFFFAOYSA-N 0 3 576.816 8.776 1 0 KKAFHN COc1ccc([C@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000095541729 562756278 /nfs/dbraw/zinc/75/62/78/562756278.db2.gz IPQSEKMUUNQIQD-USYZEHPZSA-N 0 3 764.895 7.036 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccc(Cl)cc3)C(=O)O[C@@]21C ZINC000095542003 562756456 /nfs/dbraw/zinc/75/64/56/562756456.db2.gz AUOXYTLDKDIVOC-JBSIADLXSA-N 0 3 736.347 5.290 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095542028 562756471 /nfs/dbraw/zinc/75/64/71/562756471.db2.gz KBPBCEDQPUACDU-VQJSHJPSSA-N 0 3 759.908 5.023 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095543149 562757099 /nfs/dbraw/zinc/75/70/99/562757099.db2.gz WJEAYMAHIVBPGF-WBCKFURZSA-N 0 3 773.733 8.325 1 0 KKAFHN COCCOCCOCCOc1cc2c(cc1OC)CCN(CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095548764 562759475 /nfs/dbraw/zinc/75/94/75/562759475.db2.gz ILJPDTWUECJVGE-UHFFFAOYSA-N 0 3 776.887 6.194 1 0 KKAFHN c1ccc(CSc2ccccc2CN2CCN(Cc3ccccc3SCc3ccccc3)CCN(Cc3ccccc3SCc3ccccc3)CC2)cc1 ZINC000095550300 562760102 /nfs/dbraw/zinc/76/01/02/562760102.db2.gz LXONLVWXARGQIB-UHFFFAOYSA-N 0 3 766.158 11.384 1 0 KKAFHN O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(CCN2CCOCC2)CC1 ZINC000095551958 562760494 /nfs/dbraw/zinc/76/04/94/562760494.db2.gz SFRMSUNIWUEEAA-UHFFFAOYSA-N 0 3 772.859 7.576 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553368 562760942 /nfs/dbraw/zinc/76/09/42/562760942.db2.gz ATLHHAOOYRUXSA-ARJZQDQASA-N 0 3 801.053 6.126 1 0 KKAFHN O=c1cc(-c2ccc(OCCOCCN(CCO)CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12 ZINC000095554817 562761349 /nfs/dbraw/zinc/76/13/49/562761349.db2.gz NUWYOVCGBQZGEQ-UHFFFAOYSA-N 0 3 677.750 6.019 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555913 562761648 /nfs/dbraw/zinc/76/16/48/562761648.db2.gz BGXSBQPQELZHHE-UHFFFAOYSA-N 0 3 848.436 7.834 1 0 KKAFHN COc1cc(/C=C/C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)ccc1OCCCCO[N+](=O)[O-] ZINC000095557595 562762145 /nfs/dbraw/zinc/76/21/45/562762145.db2.gz KSXDOJVIZJSREQ-HTXNQAPBSA-N 0 3 590.721 6.291 1 0 KKAFHN CCCCc1sc(-c2ccc(OCCCN3CCN(C)CC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559991 562762968 /nfs/dbraw/zinc/76/29/68/562762968.db2.gz ZZCMDTGVSVSYGD-UHFFFAOYSA-N 0 3 576.206 8.282 1 0 KKAFHN c1ccc(CN2CCN(CCCc3ccc([C@H](c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000095560642 562763130 /nfs/dbraw/zinc/76/31/30/562763130.db2.gz YLUBGTJTYPZYJD-YJYHECCUSA-N 0 3 518.789 7.785 1 0 KKAFHN CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)CN(C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CCN2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763410 /nfs/dbraw/zinc/76/34/10/562763410.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 0 3 806.017 5.107 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095564529 562764348 /nfs/dbraw/zinc/76/43/48/562764348.db2.gz ISYWMCSQLOVTPH-SBCJZHDBSA-N 0 3 643.829 5.078 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566358 562764921 /nfs/dbraw/zinc/76/49/21/562764921.db2.gz HMCLAGFKTYIJCB-IKTKBOKFSA-N 0 3 648.726 6.784 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566519 562765088 /nfs/dbraw/zinc/76/50/88/562765088.db2.gz OFYJPRSBIVOGOZ-GVNDJSPXSA-N 0 3 666.663 6.649 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567568 562765899 /nfs/dbraw/zinc/76/58/99/562765899.db2.gz UGALTWQJAJNGEN-IOAOZTLTSA-N 0 3 720.292 5.256 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567568 562765900 /nfs/dbraw/zinc/76/59/00/562765900.db2.gz UGALTWQJAJNGEN-IOAOZTLTSA-N 0 3 720.292 5.256 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095567657 562765969 /nfs/dbraw/zinc/76/59/69/562765969.db2.gz DYCZSMLKMCKUPF-ULQPQYINSA-N 0 3 597.800 6.153 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567787 562766063 /nfs/dbraw/zinc/76/60/63/562766063.db2.gz ZNTPGUKYHQEGJK-AZAGJHQNSA-N 0 3 640.756 6.543 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095568401 562766623 /nfs/dbraw/zinc/76/66/23/562766623.db2.gz SIHGKWCNYKQFFR-PEFAJXDASA-N 0 3 652.748 6.204 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568431 562766636 /nfs/dbraw/zinc/76/66/36/562766636.db2.gz VYACBIYDVUCBDQ-DIBPYXDISA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568431 562766637 /nfs/dbraw/zinc/76/66/37/562766637.db2.gz VYACBIYDVUCBDQ-DIBPYXDISA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568497 562766684 /nfs/dbraw/zinc/76/66/84/562766684.db2.gz RKBLFXPXPCVUTN-AZAGJHQNSA-N 0 3 662.252 6.089 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568497 562766685 /nfs/dbraw/zinc/76/66/85/562766685.db2.gz RKBLFXPXPCVUTN-AZAGJHQNSA-N 0 3 662.252 6.089 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568616 562766789 /nfs/dbraw/zinc/76/67/89/562766789.db2.gz STCNQGKHPZHYJD-XIWHWFKQSA-N 0 3 711.826 6.096 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569155 562767218 /nfs/dbraw/zinc/76/72/18/562767218.db2.gz VWCVFDWYUIZVLY-SNCSJZQCSA-N 0 3 676.736 7.494 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569633 562767576 /nfs/dbraw/zinc/76/75/76/562767576.db2.gz UQRVVYXDOOLUAO-VBEKBXFHSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569633 562767577 /nfs/dbraw/zinc/76/75/77/562767577.db2.gz UQRVVYXDOOLUAO-VBEKBXFHSA-N 0 3 723.830 6.573 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569759 562767649 /nfs/dbraw/zinc/76/76/49/562767649.db2.gz GFRGPEHDGBPCHF-YKKXUYLKSA-N 0 3 748.075 6.724 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570514 562768272 /nfs/dbraw/zinc/76/82/72/562768272.db2.gz PWTWTDDNXRGKGX-WTBTXGFSSA-N 0 3 676.736 7.494 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095570823 562768574 /nfs/dbraw/zinc/76/85/74/562768574.db2.gz DYCZSMLKMCKUPF-RYOMNGFGSA-N 0 3 597.800 6.153 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571549 562769129 /nfs/dbraw/zinc/76/91/29/562769129.db2.gz NKYSZIASVRRVQA-FCUWZOGCSA-N 0 3 705.900 6.816 1 0 KKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)c1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095574500 562769972 /nfs/dbraw/zinc/76/99/72/562769972.db2.gz ZCLDNSPFEQSCIU-YIAOTGBYSA-N 0 3 551.042 5.891 1 0 KKAFHN CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c3ccccn3)c(=O)n(C3CCCC3)c1)CC1(CCC1)O2 ZINC000095575387 562770308 /nfs/dbraw/zinc/77/03/08/562770308.db2.gz WRITUJLAWAHZDW-QGBCWPEESA-N 0 3 646.832 6.326 1 0 KKAFHN COc1cc(OCCCN2CCCCC2)c(C(=O)c2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2)c1 ZINC000095576811 562770744 /nfs/dbraw/zinc/77/07/44/562770744.db2.gz PQSIOMSNEPHYQL-UHFFFAOYSA-N 0 3 565.710 7.339 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000095578065 562771193 /nfs/dbraw/zinc/77/11/93/562771193.db2.gz ZZANZGQVTYIQHJ-RJKGWOMYSA-N 0 3 605.178 7.464 1 0 KKAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1cccc(-c3nccs3)c1)NC(=O)[C@@H]1CCCO1)CC1(CCC1)O2 ZINC000095579149 562771475 /nfs/dbraw/zinc/77/14/75/562771475.db2.gz DZIXUQJNRCUJQW-FKWFRFQNSA-N 0 3 604.817 5.397 1 0 KKAFHN c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCNc3c4ccccc4nc4c3CCCC4)c2-c2ccccc2)cc1 ZINC000095586589 562774034 /nfs/dbraw/zinc/77/40/34/562774034.db2.gz WJZFQVASDXYGQZ-UHFFFAOYSA-N 0 3 604.842 10.764 1 0 KKAFHN CC(C)CN(CC(C)C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095586953 562774184 /nfs/dbraw/zinc/77/41/84/562774184.db2.gz HCFNCEYBYZIOAZ-UHFFFAOYSA-N 0 3 509.632 6.538 1 0 KKAFHN COCCOCCOCCOc1cc2c(cc1OC)CCN(CCc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095590488 562775274 /nfs/dbraw/zinc/77/52/74/562775274.db2.gz JFTHETYASCLEPQ-UHFFFAOYSA-N 0 3 733.862 6.609 1 0 KKAFHN COC(=O)c1ccc(-c2ccc(CN3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095591344 562775597 /nfs/dbraw/zinc/77/55/97/562775597.db2.gz ISUMZRKRZDJHAN-UHFFFAOYSA-N 0 3 527.624 6.499 1 0 KKAFHN COc1cc(N2Cc3ccc(Sc4ccc(F)cc4Cl)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095592812 562776062 /nfs/dbraw/zinc/77/60/62/562776062.db2.gz YQHFYXVDVQMXEC-UHFFFAOYSA-N 0 3 514.022 5.669 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH+](C(C)C)C(C)C)c(C)c3oc2=O)ccc1[O-] ZINC000095594501 562776467 /nfs/dbraw/zinc/77/64/67/562776467.db2.gz OIEKNKFDNNKJFF-UHFFFAOYSA-N 0 3 520.670 6.456 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095595901 562776843 /nfs/dbraw/zinc/77/68/43/562776843.db2.gz IOXSETITQBUCMZ-JOCHJYFZSA-N 0 3 532.637 5.508 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@@H+](C)Cc4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095596358 562776942 /nfs/dbraw/zinc/77/69/42/562776942.db2.gz SMKXLUTVBCCMDY-UHFFFAOYSA-N 0 3 540.660 6.469 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@H+](C)Cc4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095596358 562776943 /nfs/dbraw/zinc/77/69/43/562776943.db2.gz SMKXLUTVBCCMDY-UHFFFAOYSA-N 0 3 540.660 6.469 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@@H+](C)C(C)(C)C)c(C)c3oc2=O)ccc1[O-] ZINC000095597499 562777231 /nfs/dbraw/zinc/77/72/31/562777231.db2.gz FZTJFNABBVIBFQ-UHFFFAOYSA-N 0 3 506.643 6.067 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@H+](C)C(C)(C)C)c(C)c3oc2=O)ccc1[O-] ZINC000095597499 562777232 /nfs/dbraw/zinc/77/72/32/562777232.db2.gz FZTJFNABBVIBFQ-UHFFFAOYSA-N 0 3 506.643 6.067 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000095599008 562777712 /nfs/dbraw/zinc/77/77/12/562777712.db2.gz GGITXPBQMSFSBS-SPWOZAQASA-N 0 3 698.059 6.822 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599325 562778001 /nfs/dbraw/zinc/77/80/01/562778001.db2.gz RBOAJFBNHJWMOW-GHVZQYPWSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095600621 562779079 /nfs/dbraw/zinc/77/90/79/562779079.db2.gz KBDYTXJNXXZTGD-NCLPYWGKSA-N 0 3 587.742 5.442 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095601000 562779442 /nfs/dbraw/zinc/77/94/42/562779442.db2.gz RKFPRZNLXVJUNG-DOBRQBTGSA-N 0 3 627.807 5.815 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095601000 562779441 /nfs/dbraw/zinc/77/94/41/562779441.db2.gz RKFPRZNLXVJUNG-DOBRQBTGSA-N 0 3 627.807 5.815 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601294 562779556 /nfs/dbraw/zinc/77/95/56/562779556.db2.gz LFZLAWVTNRSJHJ-MCYUDXQTSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095601690 562779749 /nfs/dbraw/zinc/77/97/49/562779749.db2.gz XJOPVLQFFGEWNL-HFZPWKHCSA-N 0 3 597.678 5.168 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095602401 562780064 /nfs/dbraw/zinc/78/00/64/562780064.db2.gz QMCFBRPLMVFDBX-SUCLBKFRSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095602401 562780065 /nfs/dbraw/zinc/78/00/65/562780065.db2.gz QMCFBRPLMVFDBX-SUCLBKFRSA-N 0 3 740.285 7.087 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095603046 562780303 /nfs/dbraw/zinc/78/03/03/562780303.db2.gz XGMQKVJTWVADHD-PUNARZIMSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095603032 562780319 /nfs/dbraw/zinc/78/03/19/562780319.db2.gz QZVOXXCTPHCQDU-NOMHHCBYSA-N 0 3 575.672 5.576 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603067 562780338 /nfs/dbraw/zinc/78/03/38/562780338.db2.gz RBOAJFBNHJWMOW-NSWWAWACSA-N 0 3 684.800 7.277 1 0 KKAFHN CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095603451 562780570 /nfs/dbraw/zinc/78/05/70/562780570.db2.gz DKFJGYQTLBOWCX-OVMXQCPESA-N 0 3 558.723 5.493 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095603736 562780676 /nfs/dbraw/zinc/78/06/76/562780676.db2.gz RZBAHHBRQVWZMS-UGIZIUIESA-N 0 3 617.790 7.128 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095604862 562781206 /nfs/dbraw/zinc/78/12/06/562781206.db2.gz FLOZMHQLKWUFJL-IKDMDFKBSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095604862 562781207 /nfs/dbraw/zinc/78/12/07/562781207.db2.gz FLOZMHQLKWUFJL-IKDMDFKBSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095604862 562781208 /nfs/dbraw/zinc/78/12/08/562781208.db2.gz FLOZMHQLKWUFJL-IKDMDFKBSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604916 562781250 /nfs/dbraw/zinc/78/12/50/562781250.db2.gz UIKXZKCHSBRXDR-GAIIXZKLSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604916 562781251 /nfs/dbraw/zinc/78/12/51/562781251.db2.gz UIKXZKCHSBRXDR-GAIIXZKLSA-N 0 3 705.840 6.434 1 0 KKAFHN COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3cccc(F)c3)CC2)CN(C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095604912 562781279 /nfs/dbraw/zinc/78/12/79/562781279.db2.gz FHTOGWFFKDCPTO-MUUNZHRXSA-N 0 3 560.645 5.580 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095605706 562781685 /nfs/dbraw/zinc/78/16/85/562781685.db2.gz DFSBUGSUDBGGAL-OXYPMYLPSA-N 0 3 611.705 5.916 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1F)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000095613143 562786091 /nfs/dbraw/zinc/78/60/91/562786091.db2.gz ZIAAZKVMZXBEBY-STRYXSGUSA-N 0 3 789.871 6.573 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1F)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000095613186 562786126 /nfs/dbraw/zinc/78/61/26/562786126.db2.gz PKFOXDGOMLDGGS-KPTTYIGJSA-N 0 3 789.871 6.573 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Br)cc3)C(=O)O[C@@]21C ZINC000095613364 562786247 /nfs/dbraw/zinc/78/62/47/562786247.db2.gz UHURXLBOBIPACL-RFAGPKTGSA-N 0 3 779.810 5.937 1 0 KKAFHN COc1cc2c(cc1OCCCCCN1CCN(CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000095615985 562787677 /nfs/dbraw/zinc/78/76/77/562787677.db2.gz KMALZPASESRBSO-XAZDILKDSA-N 0 3 750.888 5.657 1 0 KKAFHN COc1ccc(CN2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@@H]2C)cc1 ZINC000095691993 562788470 /nfs/dbraw/zinc/78/84/70/562788470.db2.gz AXRPYCYFPRGHTO-SYZUXVNWSA-N 0 3 602.757 5.563 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095703161 562788633 /nfs/dbraw/zinc/78/86/33/562788633.db2.gz KBDYTXJNXXZTGD-VJQVOXFUSA-N 0 3 587.742 5.442 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095836372 562789443 /nfs/dbraw/zinc/78/94/43/562789443.db2.gz OMPYFAIFRLVIFJ-SFOWLQBLSA-N 0 3 621.741 5.895 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095865313 562789736 /nfs/dbraw/zinc/78/97/36/562789736.db2.gz CRAILXCFJDOKOF-ULQPQYINSA-N 0 3 548.727 6.511 1 0 KKAFHN COc1cccc(CN(C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095864787 562789778 /nfs/dbraw/zinc/78/97/78/562789778.db2.gz DIYZUOHLOSFTTI-OVMXQCPESA-N 0 3 555.719 5.344 1 0 KKAFHN Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc([N-]c3cc(OCC[NH+]4CCCC4)nc(C)n3)nc12 ZINC000096167811 562790578 /nfs/dbraw/zinc/79/05/78/562790578.db2.gz CJHXNOAMXWHZLV-UHFFFAOYSA-N 0 3 510.429 5.624 1 0 KKAFHN c1ccc(OC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174120 562791706 /nfs/dbraw/zinc/79/17/06/562791706.db2.gz HYLMVHQORSHMJX-UHFFFAOYSA-N 0 3 500.606 6.097 1 0 KKAFHN COc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c(C)c1 ZINC000096174116 562791708 /nfs/dbraw/zinc/79/17/08/562791708.db2.gz ZDQCCGMQIAPXKQ-UHFFFAOYSA-N 0 3 586.700 6.156 1 0 KKAFHN Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(CCO)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177916 562792443 /nfs/dbraw/zinc/79/24/43/562792443.db2.gz WSOXZJWNQRWHCO-UHFFFAOYSA-N 0 3 621.808 5.598 1 0 KKAFHN Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)CCN5CCC5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177937 562792552 /nfs/dbraw/zinc/79/25/52/562792552.db2.gz XOUQYSUJDVBGIU-UHFFFAOYSA-N 0 3 688.899 6.228 1 0 KKAFHN C[C@@H](Oc1c[nH]c(=O)c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258128 562792839 /nfs/dbraw/zinc/79/28/39/562792839.db2.gz OMVKEJJVHSVCLF-CQSZACIVSA-N 0 3 516.404 5.256 1 0 KKAFHN C[C@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269482 562792964 /nfs/dbraw/zinc/79/29/64/562792964.db2.gz AGEBSSRVIKUYTM-MHZLTWQESA-N 0 3 656.799 8.179 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269473 562792974 /nfs/dbraw/zinc/79/29/74/562792974.db2.gz IUSZGKKLIPPMOS-WJOKGBTCSA-N 0 3 712.907 9.740 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269479 562792982 /nfs/dbraw/zinc/79/29/82/562792982.db2.gz NEQBDGIZCFQZDX-HHHXNRCGSA-N 0 3 656.799 8.179 1 0 KKAFHN C[C@@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270063 562793129 /nfs/dbraw/zinc/79/31/29/562793129.db2.gz MKEUKPOLBUSZTI-XMMPIXPASA-N 0 3 614.718 7.009 1 0 KKAFHN C[C@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270072 562793136 /nfs/dbraw/zinc/79/31/36/562793136.db2.gz PDRCRSNEMYGWMI-QFIPXVFZSA-N 0 3 586.664 6.229 1 0 KKAFHN Cc1cnc(Nc2cc(C)c(C3CCN(C)CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C ZINC000096272782 562794263 /nfs/dbraw/zinc/79/42/63/562794263.db2.gz UARGTPGGYPAFBV-UHFFFAOYSA-N 0 3 551.757 6.359 1 0 KKAFHN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCO)CC1 ZINC000096272785 562794265 /nfs/dbraw/zinc/79/42/65/562794265.db2.gz IFFBVWMQEXWQPC-UHFFFAOYSA-N 0 3 602.201 6.067 1 0 KKAFHN C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2ccccc2n(C2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285300 562795462 /nfs/dbraw/zinc/79/54/62/562795462.db2.gz FPXHABRAFBDZTO-NRFANRHFSA-N 0 3 607.586 5.772 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1F ZINC000096285106 562795476 /nfs/dbraw/zinc/79/54/76/562795476.db2.gz NGTAHWHMGVUEDB-UHFFFAOYSA-N 0 3 621.713 6.505 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Br)c2)CC1 ZINC000096285337 562795540 /nfs/dbraw/zinc/79/55/40/562795540.db2.gz ZRBNRFQNYULVHS-PIKZIKFNSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285342 562795556 /nfs/dbraw/zinc/79/55/56/562795556.db2.gz FPBBMOPREIDYGA-FIPFOOKPSA-N 0 3 566.190 6.136 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000096285370 562795566 /nfs/dbraw/zinc/79/55/66/562795566.db2.gz VXUHJSADHJEBBJ-KMRXNPHXSA-N 0 3 567.178 5.531 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285390 562795595 /nfs/dbraw/zinc/79/55/95/562795595.db2.gz BUQGFMHFSZHCHF-LVXARBLLSA-N 0 3 538.136 5.356 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285381 562795611 /nfs/dbraw/zinc/79/56/11/562795611.db2.gz COOGUPBOWLTOIX-BWKNWUBXSA-N 0 3 540.152 5.602 1 0 KKAFHN O=c1cc(-c2ccccc2)oc2cc(OCCN3CCN(CCNc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096285570 562795848 /nfs/dbraw/zinc/79/58/48/562795848.db2.gz OXTPOGAMUKLJIJ-UHFFFAOYSA-N 0 3 574.725 5.996 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)cc([C@H](C)O)c2)c1 ZINC000096307596 562796394 /nfs/dbraw/zinc/79/63/94/562796394.db2.gz IXJVBGCZQGVESS-PXNIRXDMSA-N 0 3 649.710 5.149 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccc([S@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903703 562797979 /nfs/dbraw/zinc/79/79/79/562797979.db2.gz XJQISSRYLJVOQK-MSYMSKFLSA-N 0 3 623.646 7.114 1 0 KKAFHN O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909806 562799786 /nfs/dbraw/zinc/79/97/86/562799786.db2.gz SYXAHSDAHIOHSU-QHCPKHFHSA-N 0 3 545.481 5.824 1 0 KKAFHN CCOc1cc(N)c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1NC(=O)/C=C/CN(C)C ZINC000096928308 562802823 /nfs/dbraw/zinc/80/28/23/562802823.db2.gz DTYRZJIJCBDMSC-RMKNXTFCSA-N 0 3 541.023 5.348 1 0 KKAFHN c1ccc2sc(S[C@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938107 562804415 /nfs/dbraw/zinc/80/44/15/562804415.db2.gz UNDNDGOVRPGOTJ-PMERELPUSA-N 0 3 530.759 7.983 1 0 KKAFHN c1ccc2sc(S[C@@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938106 562804417 /nfs/dbraw/zinc/80/44/17/562804417.db2.gz UNDNDGOVRPGOTJ-SSEXGKCCSA-N 0 3 530.759 7.983 1 0 KKAFHN CN(CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Br)cc1 ZINC000096939388 562804725 /nfs/dbraw/zinc/80/47/25/562804725.db2.gz NPWKFVGMLLDHKU-AREMUKBSSA-N 0 3 643.957 6.196 1 0 KKAFHN CN(CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Cl)cc1 ZINC000096939390 562804740 /nfs/dbraw/zinc/80/47/40/562804740.db2.gz NKPNQEOGFCIQAF-AREMUKBSSA-N 0 3 599.506 6.087 1 0 KKAFHN COc1ccccc1OCCNC[C@@H](O)COc1ccc2[nH]c3ccc(Br)cc3c2c1Br ZINC000096939791 562804827 /nfs/dbraw/zinc/80/48/27/562804827.db2.gz WVRJJSKOFGAWKQ-MRXNPFEDSA-N 0 3 564.274 5.263 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000100841861 562808209 /nfs/dbraw/zinc/80/82/09/562808209.db2.gz QSVIUQSRMGIJPZ-XKWLHOGNSA-N 0 3 528.784 5.049 1 0 KKAFHN CC(C)N1CCN([C@H]2CC[C@@](NC(=O)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000100916025 562808518 /nfs/dbraw/zinc/80/85/18/562808518.db2.gz QUXYPYOPGAKDPS-RSYZWFLXSA-N 0 3 569.634 6.808 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101141161 562809426 /nfs/dbraw/zinc/80/94/26/562809426.db2.gz RCVHDPWYXTVRFR-LAKWIPNFSA-N 0 3 554.488 5.786 1 0 KKAFHN CN(C)CCN(C)C(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696529 562811968 /nfs/dbraw/zinc/81/19/68/562811968.db2.gz FCMSNWCBNHSTMY-UHFFFAOYSA-N 0 3 571.699 5.063 1 0 KKAFHN O=c1[n-]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201552 562816101 /nfs/dbraw/zinc/81/61/01/562816101.db2.gz FUHFWCJOWKLAHZ-DHIFEGFHSA-N 0 3 629.592 7.674 1 0 KKAFHN O=c1[n-]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201548 562816111 /nfs/dbraw/zinc/81/61/11/562816111.db2.gz FUHFWCJOWKLAHZ-JOMNFKBKSA-N 0 3 629.592 7.674 1 0 KKAFHN CCCCOc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H](C)CCCC(C)C)cc1 ZINC000103214204 562816916 /nfs/dbraw/zinc/81/69/16/562816916.db2.gz NJBHYAWBCKQODT-AREMUKBSSA-N 0 3 592.821 8.340 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCCC4)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228633 562818031 /nfs/dbraw/zinc/81/80/31/562818031.db2.gz OMOCRHIYJDLVKF-UHFFFAOYSA-N 0 3 561.679 6.399 1 0 KKAFHN C[C@@H](CN(C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229644 562818078 /nfs/dbraw/zinc/81/80/78/562818078.db2.gz VWZHXQMQXIFFGW-HNNXBMFYSA-N 0 3 562.001 5.567 1 0 KKAFHN COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230182 562818135 /nfs/dbraw/zinc/81/81/35/562818135.db2.gz BJTJWSNHVLJIJI-BSKIJULFSA-N 0 3 532.496 7.401 1 0 KKAFHN Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230125 562818159 /nfs/dbraw/zinc/81/81/59/562818159.db2.gz BRZGSSIWSSYQOZ-AUEATDLBSA-N 0 3 520.460 7.532 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240418 562819457 /nfs/dbraw/zinc/81/94/57/562819457.db2.gz FXCMIAWJXXHNLL-PGUFJCEWSA-N 0 3 586.784 5.788 1 0 KKAFHN F[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](F)CN7)cc6[nH]5)cc4)[nH]c3c2)NC1 ZINC000103251438 562820358 /nfs/dbraw/zinc/82/03/58/562820358.db2.gz JMSJEFQOPVRDPV-UHFFFAOYSA-N 0 3 508.576 5.359 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(c3cnc(Cl)cc3NC2=O)[C@@H]1c1cccc(Cl)c1F ZINC000103254046 562820626 /nfs/dbraw/zinc/82/06/26/562820626.db2.gz CGCOPBXAGSCZNX-LYUIPKCISA-N 0 3 614.505 5.024 1 0 KKAFHN CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(Cc3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000103256412 562820837 /nfs/dbraw/zinc/82/08/37/562820837.db2.gz WKLQZGUOLPAFOT-UHFFFAOYSA-N 0 3 509.646 6.494 1 0 KKAFHN Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cc1 ZINC000103261565 562821433 /nfs/dbraw/zinc/82/14/33/562821433.db2.gz PONICNVXXIZUCK-UHFFFAOYSA-N 0 3 600.645 7.585 1 0 KKAFHN CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(OC)c4)cc32)CC1 ZINC000114036960 562827153 /nfs/dbraw/zinc/82/71/53/562827153.db2.gz DYIDCYKYUPJJTQ-UHFFFAOYSA-N 0 3 522.089 6.927 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037587 562827204 /nfs/dbraw/zinc/82/72/04/562827204.db2.gz CHEFFCXFEZUVQX-SFHVURJKSA-N 0 3 503.990 5.148 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC([NH3+])CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037801 562827243 /nfs/dbraw/zinc/82/72/43/562827243.db2.gz ITUIEGXLOPAYCZ-UHFFFAOYSA-N 0 3 545.043 5.323 1 0 KKAFHN O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000114601350 562828368 /nfs/dbraw/zinc/82/83/68/562828368.db2.gz BOERTKKBWLOLLH-UHFFFAOYSA-N 0 3 500.423 5.212 1 0 KKAFHN O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114599089 562828346 /nfs/dbraw/zinc/82/83/46/562828346.db2.gz LMPJCXOOACXKHV-UHFFFAOYSA-N 0 3 516.038 5.712 1 0 KKAFHN O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000114981068 562828669 /nfs/dbraw/zinc/82/86/69/562828669.db2.gz LOBSNLWYJKVAMA-AREMUKBSSA-N 0 3 515.050 5.145 1 0 KKAFHN O=S(=O)([N-]CCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(-c2ccon2)s1 ZINC000117351173 562829794 /nfs/dbraw/zinc/82/97/94/562829794.db2.gz GPDOJVVKIPKXNK-MHZLTWQESA-N 0 3 570.136 5.723 1 0 KKAFHN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCCN(C2CCCC2)C1 ZINC000140843975 562833332 /nfs/dbraw/zinc/83/33/32/562833332.db2.gz WXDZHXSCSPJUOV-DEOSSOPVSA-N 0 3 514.510 6.397 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cccc(C)c1Cl)CC2 ZINC000143052234 562834520 /nfs/dbraw/zinc/83/45/20/562834520.db2.gz JPTINJMITUWJPV-UHFFFAOYSA-N 0 3 572.113 5.181 1 0 KKAFHN CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326016 562836122 /nfs/dbraw/zinc/83/61/22/562836122.db2.gz STDFAKVCYZKPQE-DNQXCXABSA-N 0 3 527.815 8.587 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@@H]3C)n1 ZINC000145958607 562837813 /nfs/dbraw/zinc/83/78/13/562837813.db2.gz PHAAEVVSCUDATH-AWEZNQCLSA-N 0 3 622.019 6.346 1 0 KKAFHN CCc1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145978164 562837914 /nfs/dbraw/zinc/83/79/14/562837914.db2.gz FNCQKBUUNUZWGP-FQEVSTJZSA-N 0 3 553.585 5.547 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(C)C)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145989780 562837921 /nfs/dbraw/zinc/83/79/21/562837921.db2.gz BECYRHDWMNMQKO-UHFFFAOYSA-N 0 3 529.641 5.097 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906670 562838879 /nfs/dbraw/zinc/83/88/79/562838879.db2.gz AEJRFQRMYCKSKQ-ARTKTQSDSA-N 0 3 576.540 5.550 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCCN(C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148076967 562840123 /nfs/dbraw/zinc/84/01/23/562840123.db2.gz XDYXHQKLEWICPS-UHFFFAOYSA-N 0 3 620.558 5.604 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000148169289 562840392 /nfs/dbraw/zinc/84/03/92/562840392.db2.gz ZUFPJOMYBPLWTQ-UHFFFAOYSA-N 0 3 630.679 5.748 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@@H]3C)n1 ZINC000148438167 562841297 /nfs/dbraw/zinc/84/12/97/562841297.db2.gz GNWXJOMTHJVQCJ-INIZCTEOSA-N 0 3 573.591 6.053 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3[nH]ccc32)n1 ZINC000148445454 562841299 /nfs/dbraw/zinc/84/12/99/562841299.db2.gz HYFWNJPNCXTNLN-UHFFFAOYSA-N 0 3 540.546 5.345 1 0 KKAFHN COc1ccc(C)cc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148821432 562841830 /nfs/dbraw/zinc/84/18/30/562841830.db2.gz UVFGVILYSLAPSS-QFIPXVFZSA-N 0 3 501.067 5.325 1 0 KKAFHN CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3 ZINC000150523067 562843602 /nfs/dbraw/zinc/84/36/02/562843602.db2.gz YROMNPOPNCSEGR-LQFQNGICSA-N 0 3 758.960 6.633 1 0 KKAFHN CN1CCN(C[C@@H](O)COc2c(Br)cc(C(c3cc(Br)c(OC[C@@H](O)CN4CCN(C)CC4)c(Br)c3)(C(F)(F)F)C(F)(F)F)cc2Br)CC1 ZINC000150561648 562844888 /nfs/dbraw/zinc/84/48/88/562844888.db2.gz GGMPSENEASCRJD-SZPZYZBQSA-N 0 3 964.273 6.122 1 0 KKAFHN CC[C@]12C=CCN3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CCN8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846437 /nfs/dbraw/zinc/84/64/37/562846437.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 0 3 656.827 6.361 1 0 KKAFHN CN1CCC(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CC(C)(C)C7)c4CO)cn(C)c3=O)nc2)CC1 ZINC000164284657 562849580 /nfs/dbraw/zinc/84/95/80/562849580.db2.gz CWCCKSPETMTVKY-UHFFFAOYSA-N 0 3 641.813 6.021 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCCC1 ZINC000169293795 562852125 /nfs/dbraw/zinc/85/21/25/562852125.db2.gz AEXUFSNLZAPTED-NOZRDPDXSA-N 0 3 540.717 6.402 1 0 KKAFHN O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1CN1CC[C@@H](O)C1 ZINC000169293939 562852157 /nfs/dbraw/zinc/85/21/57/562852157.db2.gz YULHSCHRHAVYAX-IZZNHLLZSA-N 0 3 548.609 5.977 1 0 KKAFHN O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1CN1CC[C@@H](O)C1 ZINC000169293938 562852168 /nfs/dbraw/zinc/85/21/68/562852168.db2.gz YULHSCHRHAVYAX-CLJLJLNGSA-N 0 3 548.609 5.977 1 0 KKAFHN Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308846 562854213 /nfs/dbraw/zinc/85/42/13/562854213.db2.gz NNOVVEMYYNWICL-UHFFFAOYSA-N 0 3 525.040 5.710 1 0 KKAFHN c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312231 562855319 /nfs/dbraw/zinc/85/53/19/562855319.db2.gz BAFXUENWHNQFKY-LMSSTIIKSA-N 0 3 500.664 6.464 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)cc3)CC2)c1 ZINC000169321670 562856707 /nfs/dbraw/zinc/85/67/07/562856707.db2.gz WRZAJJXVMWKSPZ-UHFFFAOYSA-N 0 3 596.653 7.613 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4C4CCOCC4)cc3)CC2)c1 ZINC000169321678 562856741 /nfs/dbraw/zinc/85/67/41/562856741.db2.gz VCBWUFDWEUOZAT-UHFFFAOYSA-N 0 3 536.676 5.957 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169322863 562856905 /nfs/dbraw/zinc/85/69/05/562856905.db2.gz HWAUYKQFORRSRY-UHFFFAOYSA-N 0 3 612.218 7.646 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000169324077 562857280 /nfs/dbraw/zinc/85/72/80/562857280.db2.gz MANLQMSVKREPRE-ZMKZTNCQSA-N 0 3 725.983 5.359 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324436 562857369 /nfs/dbraw/zinc/85/73/69/562857369.db2.gz FRQTXBXXLGDXFC-UHFFFAOYSA-N 0 3 605.827 7.773 1 0 KKAFHN O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H](NCc4cc5ccccc5nc4Cl)C3)cc2s1)C1CCCC1 ZINC000169327445 562858106 /nfs/dbraw/zinc/85/81/06/562858106.db2.gz QSRAUCHIUXNTQL-IRLDBZIGSA-N 0 3 562.139 6.914 1 0 KKAFHN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CC1 ZINC000169333984 562859396 /nfs/dbraw/zinc/85/93/96/562859396.db2.gz VQMZHWILWZGAHX-WFVRZCLESA-N 0 3 560.893 5.710 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334049 562859433 /nfs/dbraw/zinc/85/94/33/562859433.db2.gz AUGWPXBRUKPGNL-DEOSSOPVSA-N 0 3 541.441 7.727 1 0 KKAFHN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)N1CCCCC1 ZINC000169335104 562859604 /nfs/dbraw/zinc/85/96/04/562859604.db2.gz BOZRJGVYKZFMST-IITYBUKQSA-N 0 3 588.947 6.444 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000169344648 562861441 /nfs/dbraw/zinc/86/14/41/562861441.db2.gz WQROZMCEHXFGBY-UHFFFAOYSA-N 0 3 654.743 5.241 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3NC(=O)Nc3csc(Cl)n3)c3c2c(Cl)ccc3O)CC1 ZINC000169348366 562862157 /nfs/dbraw/zinc/86/21/57/562862157.db2.gz RPDNRVUBIPFLJN-UHFFFAOYSA-N 0 3 560.551 7.331 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348462 562862254 /nfs/dbraw/zinc/86/22/54/562862254.db2.gz CBTOBBZXHHAHOX-BHVANESWSA-N 0 3 676.858 6.208 1 0 KKAFHN CC(C)(C)NC(=O)C1(N(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000169348493 562862317 /nfs/dbraw/zinc/86/23/17/562862317.db2.gz CVFSURDYUVEEQK-YTTGMZPUSA-N 0 3 610.799 5.465 1 0 KKAFHN CC[C@@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702184 562868244 /nfs/dbraw/zinc/86/82/44/562868244.db2.gz QPQCFJGDSQXNPS-RUZDIDTESA-N 0 3 565.722 5.094 1 0 KKAFHN C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702690 562868524 /nfs/dbraw/zinc/86/85/24/562868524.db2.gz QBRBRGZPDHLDGV-APJQNUAFSA-N 0 3 517.592 5.194 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000169702186 562868278 /nfs/dbraw/zinc/86/82/78/562868278.db2.gz ZVYLPIANXUPJKW-UHFFFAOYSA-N 0 3 510.642 5.178 1 0 KKAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OC)cc21 ZINC000169711549 562871021 /nfs/dbraw/zinc/87/10/21/562871021.db2.gz QZNGNIYYGNHTQG-UHFFFAOYSA-N 0 3 513.598 5.086 1 0 KKAFHN CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1 ZINC000169711556 562871046 /nfs/dbraw/zinc/87/10/46/562871046.db2.gz IBEMWGKDJKIFLP-UHFFFAOYSA-N 0 3 527.625 5.476 1 0 KKAFHN CC(C)(C)OC(=O)C1C(=O)NC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000196071648 562872478 /nfs/dbraw/zinc/87/24/78/562872478.db2.gz ATIZHXQUOYPBJB-XNVAUQMESA-N 0 3 693.837 6.580 1 0 KKAFHN CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000203755314 562874092 /nfs/dbraw/zinc/87/40/92/562874092.db2.gz YXTYFTYDCQXMNE-HVPBSWBLSA-N 0 3 575.069 5.225 1 0 KKAFHN COc1cc(-c2cc3c(cc2F)ncc(C(=O)C2CC2)c3Nc2ccc(N3CC[NH2+]CC3)nc2)cc(Cl)c1[O-] ZINC000203805584 562874177 /nfs/dbraw/zinc/87/41/77/562874177.db2.gz ZHCMYLBONKXEKL-UHFFFAOYSA-N 0 3 548.018 5.549 1 0 KKAFHN CCn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000206145018 562876397 /nfs/dbraw/zinc/87/63/97/562876397.db2.gz ZYJZAJSSCZJWTL-AREMUKBSSA-N 0 3 515.485 6.332 1 0 KKAFHN CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCCc5ccccc5)cc4F)ccc3C2)cc1 ZINC000216494487 562877470 /nfs/dbraw/zinc/87/74/70/562877470.db2.gz OCUNYJSVMZDBNU-UHFFFAOYSA-N 0 3 614.827 7.927 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000221457968 562878995 /nfs/dbraw/zinc/87/89/95/562878995.db2.gz APIRGAOTKZFKAS-UHFFFAOYSA-N 0 3 513.642 5.254 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)cc12 ZINC000221457814 562879002 /nfs/dbraw/zinc/87/90/02/562879002.db2.gz HMTBXSCYSXEFRI-UHFFFAOYSA-N 0 3 590.168 7.078 1 0 KKAFHN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c(C)c1C(=O)NCCN1CCCC1 ZINC000221768879 562879249 /nfs/dbraw/zinc/87/92/49/562879249.db2.gz KOSLTNNOSABCDI-PGMHBOJBSA-N 0 3 538.677 5.135 1 0 KKAFHN Cc1ccc(Cl)cc1N1C(=O)c2nn(C3CCN(C)CC3)c(C(C)C)c2[C@@H]1c1ccc(Cl)cc1C ZINC000224056322 562880198 /nfs/dbraw/zinc/88/01/98/562880198.db2.gz GNUPSFNBJBWYRB-MHZLTWQESA-N 0 3 511.497 6.947 1 0 KKAFHN COc1ccc(C(=O)NCCN2CCCC2)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224128190 562880410 /nfs/dbraw/zinc/88/04/10/562880410.db2.gz YVYATCZGDDDVSH-UUWRZZSWSA-N 0 3 660.646 7.503 1 0 KKAFHN CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000224836954 562880594 /nfs/dbraw/zinc/88/05/94/562880594.db2.gz ZCEZZOOCNDPJEZ-UHFFFAOYSA-N 0 3 592.821 7.874 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(OC)c4)cc3)ccc2OC)c1 ZINC000299826165 562883789 /nfs/dbraw/zinc/88/37/89/562883789.db2.gz FNUSMKMVBNMTAF-UHFFFAOYSA-N 0 3 552.671 6.772 1 0 KKAFHN O=C(CN(CC(=O)NCc1ccccc1F)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCCN1CCCC1 ZINC000299827107 562884062 /nfs/dbraw/zinc/88/40/62/562884062.db2.gz FZRCJAUMMMQALV-UHFFFAOYSA-N 0 3 573.496 5.260 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(OC)c3)ccc2OC)c1 ZINC000299829554 562884914 /nfs/dbraw/zinc/88/49/14/562884914.db2.gz HQNHOTGQFNRCKF-UHFFFAOYSA-N 0 3 552.671 6.772 1 0 KKAFHN C[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)N1C(=O)OC(C)(C)C ZINC000299833096 562886052 /nfs/dbraw/zinc/88/60/52/562886052.db2.gz HLSFNIKGKKTOIA-QNLPTKCRSA-N 0 3 609.815 7.606 1 0 KKAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C[C@H]4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299835588 562886920 /nfs/dbraw/zinc/88/69/20/562886920.db2.gz WSZRNNLGVAOXKP-VWLOTQADSA-N 0 3 582.749 5.479 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccc(Cl)cc5nc5c4[C@H]4CC(C)=C[C@@H](C5)C4)c3[C@@H](C1)C2 ZINC000299836584 562887237 /nfs/dbraw/zinc/88/72/37/562887237.db2.gz NPZPAMQSTILFKK-XAZDILKDSA-N 0 3 679.780 11.946 1 0 KKAFHN CN1CCC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 ZINC000299836562 562887270 /nfs/dbraw/zinc/88/72/70/562887270.db2.gz NPDBZGWDNRJYIQ-OAQYLSRUSA-N 0 3 542.647 6.610 1 0 KKAFHN Fc1ccc(Nc2nc(NC(=S)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000299836944 562887335 /nfs/dbraw/zinc/88/73/35/562887335.db2.gz IUXNPMCIZGVNBX-MHZLTWQESA-N 0 3 578.652 7.185 1 0 KKAFHN COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3cccc(Cl)c3)ccc2OC)c1 ZINC000299837140 562887391 /nfs/dbraw/zinc/88/73/91/562887391.db2.gz JFTPUOPLBLAKQH-UHFFFAOYSA-N 0 3 585.144 7.137 1 0 KKAFHN COc1cc(C(N)=O)ccc1-c1ccccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)cc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000299838954 562888015 /nfs/dbraw/zinc/88/80/15/562888015.db2.gz PCNRIOJTMIDSNX-LHBLQTBJSA-N 0 3 689.615 7.296 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299839073 562888049 /nfs/dbraw/zinc/88/80/49/562888049.db2.gz PQSNRDVTULIWRQ-UHFFFAOYSA-N 0 3 767.656 6.905 1 0 KKAFHN COc1cc(OC)cc(OCc2ccc(CCN3CCN(c4ccc(Br)cc4)CC3)cc2)c1 ZINC000299839575 562888242 /nfs/dbraw/zinc/88/82/42/562888242.db2.gz SONKUEVIMAXRAH-UHFFFAOYSA-N 0 3 511.460 5.410 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299840681 562888616 /nfs/dbraw/zinc/88/86/16/562888616.db2.gz YMRRKOBNWNFHRC-UHFFFAOYSA-N 0 3 706.750 6.282 1 0 KKAFHN COc1cccc(-c2cc(OC3CCN(C)CC3)ccc2CCNC(=O)c2ccc(OC)c(-c3cccc(OC)c3)c2)c1 ZINC000299840715 562888641 /nfs/dbraw/zinc/88/86/41/562888641.db2.gz YZRYAZUQVCMDRS-UHFFFAOYSA-N 0 3 580.725 6.492 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)nc3)ccc2OC)c1 ZINC000299840821 562888673 /nfs/dbraw/zinc/88/86/73/562888673.db2.gz WJLFXQQQJBUNHD-UHFFFAOYSA-N 0 3 523.633 6.158 1 0 KKAFHN C/C=C/c1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1C ZINC000299841197 562888817 /nfs/dbraw/zinc/88/88/17/562888817.db2.gz YNKAPRZFCFBVEL-KZACUFNLSA-N 0 3 537.626 5.733 1 0 KKAFHN c1cc2[nH]c1=C(c1ccccc1)C1=NC(=C(c3ccccc3)[C@H]3C=CC(=N3)C(c3ccccc3)C3=N[C@H](C=C3)C=2c2ccccc2)C=C1 ZINC000299854822 562891473 /nfs/dbraw/zinc/89/14/73/562891473.db2.gz AKYTWGZKHPYPDZ-LBHGOSKOSA-N 0 3 616.768 7.167 1 0 KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855115 562891604 /nfs/dbraw/zinc/89/16/04/562891604.db2.gz DEYKOEXQQNSWIG-VWLOTQADSA-N 0 3 539.164 5.145 1 0 KKAFHN COc1cc2oc(-c3cccc(OCC(=O)NCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299858881 562892573 /nfs/dbraw/zinc/89/25/73/562892573.db2.gz FADJQYHZGWQLHV-UHFFFAOYSA-N 0 3 700.232 7.734 1 0 KKAFHN C[C@H](CCCN1CCN(CCO)CC1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000299860413 562892968 /nfs/dbraw/zinc/89/29/68/562892968.db2.gz GPVXIGQHZJBBLC-OEZDDPMWSA-N 0 3 514.839 6.123 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863849 562893971 /nfs/dbraw/zinc/89/39/71/562893971.db2.gz LRIVUPRHLMQOGF-ZEWDBUAUSA-N 0 3 606.166 6.980 1 0 KKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1cccc(C(=O)Nc3cc(-c4cccs4)ccc3N)c1)CC2 ZINC000299864930 562894243 /nfs/dbraw/zinc/89/42/43/562894243.db2.gz SEHZWARTKKUTQR-LJAQVGFWSA-N 0 3 663.796 7.088 1 0 KKAFHN CC1CCN(Cc2cccn2-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1 ZINC000299865322 562894398 /nfs/dbraw/zinc/89/43/98/562894398.db2.gz TWYFHCUBPUMUQC-QFIPXVFZSA-N 0 3 513.063 5.179 1 0 KKAFHN COc1cc2oc(-c3ccc(OCC(=O)NCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299865641 562894483 /nfs/dbraw/zinc/89/44/83/562894483.db2.gz OBCLASMEKFCULV-UHFFFAOYSA-N 0 3 658.151 6.563 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3cccc(C(F)(F)F)c3)c(=O)n2C)cc1F ZINC000473090790 562897589 /nfs/dbraw/zinc/89/75/89/562897589.db2.gz PGGOVVVVCUOUOM-UHFFFAOYSA-N 0 3 722.740 6.260 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473146664 562901331 /nfs/dbraw/zinc/90/13/31/562901331.db2.gz CSLMOZNRVLKZJP-PSXMRANNSA-N 0 3 587.805 6.828 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473146027 562901347 /nfs/dbraw/zinc/90/13/47/562901347.db2.gz CFKPVXGCGGKCOM-UUWRZZSWSA-N 0 3 578.197 7.082 1 0 KKAFHN COc1ccc(C(=O)OCCN(C)C)cc1NC(=O)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F ZINC000473149206 562901500 /nfs/dbraw/zinc/90/15/00/562901500.db2.gz JCRMFUNQITWXKD-UHFFFAOYSA-N 0 3 518.492 5.018 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152122 562901798 /nfs/dbraw/zinc/90/17/98/562901798.db2.gz LQQQYFDMGYUJNL-SXSPYAJSSA-N 0 3 552.090 6.299 1 0 KKAFHN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(OCCCN2CCN(CC)CC2)cc1 ZINC000473153102 562901914 /nfs/dbraw/zinc/90/19/14/562901914.db2.gz YRGQOMBEKVGZRN-UHFFFAOYSA-N 0 3 530.591 5.002 1 0 KKAFHN CCN1CCN(Cc2ccc(C)c(NC(=O)c3ccc(Nc4ncc(C(F)(F)F)c(-c5ccc(OC(F)(F)F)cc5)n4)cc3)c2)CC1 ZINC000653705367 562907717 /nfs/dbraw/zinc/90/77/17/562907717.db2.gz ZZFWDIAABHXSLH-UHFFFAOYSA-N 0 3 658.647 7.503 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000653708698 562907985 /nfs/dbraw/zinc/90/79/85/562907985.db2.gz VDVPXYDBILKOEA-UHFFFAOYSA-N 0 3 561.086 5.304 1 0 KKAFHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)c(C(F)(F)F)c3)n2)cc1 ZINC000653710214 562908086 /nfs/dbraw/zinc/90/80/86/562908086.db2.gz QRHVNUCXJWWSKV-UHFFFAOYSA-N 0 3 589.540 7.427 1 0 KKAFHN COc1cc(/C=C/c2ccc(OCC(=O)NCCCCN(C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653746627 562910396 /nfs/dbraw/zinc/91/03/96/562910396.db2.gz HPPJRYGTFLJLMM-VAWYXSNFSA-N 0 3 518.654 5.290 1 0 KKAFHN Cc1c(CC(=O)NCCN(C)C)c2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc2n1C(=O)c1ccc(Br)cc1 ZINC000653787266 562912436 /nfs/dbraw/zinc/91/24/36/562912436.db2.gz BXRFKNGNRNJUIY-UHFFFAOYSA-N 0 3 667.604 6.452 1 0 KKAFHN C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653816283 562913985 /nfs/dbraw/zinc/91/39/85/562913985.db2.gz BAWZESLJEVSFRN-HNNXBMFYSA-N 0 3 522.440 5.700 1 0 KKAFHN C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822639 562914188 /nfs/dbraw/zinc/91/41/88/562914188.db2.gz JQKDGGRZIBHFLB-INIZCTEOSA-N 0 3 536.467 6.090 1 0 KKAFHN COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CCCCCCCCC(=O)O[C@H]4C=C[C@@]56CN(C)CCc7ccc(OC)c(c75)O[C@H]6C4)C=C[C@@]31CN(C)CC2 ZINC000653836218 562914726 /nfs/dbraw/zinc/91/47/26/562914726.db2.gz KFHVPQSLLUJBGB-RMZLRQEBSA-N 0 3 740.938 6.242 1 0 KKAFHN Cc1cc(=O)oc2cc(OCCCN(C)Cc3cccc(OC(=O)NCCCCCc4ccccc4)c3)ccc12 ZINC000653837926 562914788 /nfs/dbraw/zinc/91/47/88/562914788.db2.gz RIRAXUJPOGFDFJ-UHFFFAOYSA-N 0 3 542.676 6.504 1 0 KKAFHN CCO[C@@H]1CCc2nc3cc(Cl)ccc3c(NCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3C[C@@H](OCC)CC4)c2C1 ZINC000653913887 562917826 /nfs/dbraw/zinc/91/78/26/562917826.db2.gz OQYUUFBXSSRQOH-ISILISOKSA-N 0 3 677.761 8.976 1 0 KKAFHN COc1cc2c3c(c1OC)Oc1ccc(cc1)CC1=NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)C[C@H]3N(C)CC2 ZINC000060184488 565116673 /nfs/dbraw/zinc/11/66/73/565116673.db2.gz CXLYPEWFHWCEFN-GDLZYMKVSA-N 0 3 606.719 6.462 1 0 biogenic,in-vitro KKAFHN COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)N(C)CC5)OCO4)CCN1C ZINC000085540986 565139001 /nfs/dbraw/zinc/13/90/01/565139001.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 0 3 666.771 6.891 1 0 biogenic,in-vitro KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085976996 565171008 /nfs/dbraw/zinc/17/10/08/565171008.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 0 3 652.788 7.171 1 0 biogenic,in-vitro KKAFHN COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C ZINC000095912410 565181598 /nfs/dbraw/zinc/18/15/98/565181598.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 0 3 622.762 7.162 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2CC[C@](C)(C3CCCC3)c3ccccc32)c1)CO4 ZINC000085567373 291940460 /nfs/dbraw/zinc/94/04/60/291940460.db2.gz GKRGOGOLRRKDJR-IOVYHGRJSA-N 0 3 806.997 7.760 1 0 biogenic,in-vitro KKAFHN COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2 ZINC000001484771 561675830 /nfs/dbraw/zinc/67/58/30/561675830.db2.gz AXGKNTNGRRGWAT-UHFFFAOYSA-N 0 3 512.610 5.172 1 0 KKAFHN CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000001494478 561676489 /nfs/dbraw/zinc/67/64/89/561676489.db2.gz OFQCVYOFPPDYDD-XIFFEERXSA-N 0 3 554.666 5.055 1 0 KKAFHN Cc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1 ZINC000001737785 561679564 /nfs/dbraw/zinc/67/95/64/561679564.db2.gz AXWIBVBDIBJRKO-UHFFFAOYSA-N 0 3 511.673 7.258 1 0 KKAFHN Cc1cc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc(C)c1O ZINC000003815457 561682869 /nfs/dbraw/zinc/68/28/69/561682869.db2.gz HPWKRWZRKNLCQS-UHFFFAOYSA-N 0 3 501.648 6.692 1 0 KKAFHN O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc32)CC1 ZINC000003916775 561685170 /nfs/dbraw/zinc/68/51/70/561685170.db2.gz QUYWOUGBIFGWJT-UHFFFAOYSA-N 0 3 668.801 6.961 1 0 KKAFHN C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC000003934165 561688243 /nfs/dbraw/zinc/68/82/43/561688243.db2.gz NJYXPRQYHXQQOR-VWLOTQADSA-N 0 3 540.752 5.897 1 0 KKAFHN COc1cc2c(cc1OCCNCCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000003938685 561688894 /nfs/dbraw/zinc/68/88/94/561688894.db2.gz VQCDZFWRGXFUMS-UHFFFAOYSA-N 0 3 501.627 6.038 1 0 in-vivo KKAFHN CCOc1cc(C)ccc1N(C1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000003979786 561692364 /nfs/dbraw/zinc/69/23/64/561692364.db2.gz OBKOOYNVLKZUBG-UHFFFAOYSA-N 0 3 693.832 7.949 1 0 KKAFHN CSc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000003989406 561693157 /nfs/dbraw/zinc/69/31/57/561693157.db2.gz BCQQWWXAOHPASE-UHFFFAOYSA-N 0 3 530.521 6.378 1 0 KKAFHN CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2Cl)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425225 561695043 /nfs/dbraw/zinc/69/50/43/561695043.db2.gz ZXHYOTVTZJSURW-JOCHJYFZSA-N 0 3 522.885 6.484 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc32)cc1 ZINC000005438297 561695943 /nfs/dbraw/zinc/69/59/43/561695943.db2.gz RNPHQDBXJJRLDE-CONSDPRKSA-N 0 3 610.751 6.420 1 0 KKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(-c3ccccc3)cn3ccccc23)cc1 ZINC000006165888 561702743 /nfs/dbraw/zinc/70/27/43/561702743.db2.gz OYXYTBVFIGXVTB-UHFFFAOYSA-N 0 3 518.723 7.110 1 0 KKAFHN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000013471218 561713997 /nfs/dbraw/zinc/71/39/97/561713997.db2.gz VFQLHOJNCNGPIK-SANMLTNESA-N 0 3 501.552 6.585 1 0 KKAFHN COc1cc(CNCc2cccc(-n3c4cccc(Cl)c4c4noc(C)c4c3=O)c2)cc(OC)c1OC ZINC000013439809 561712470 /nfs/dbraw/zinc/71/24/70/561712470.db2.gz NUHIHCNVIKXCOA-UHFFFAOYSA-N 0 3 519.985 5.409 1 0 KKAFHN COc1ccc(CNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000013451522 561713312 /nfs/dbraw/zinc/71/33/12/561713312.db2.gz NIOVWDWNPNKWSM-UHFFFAOYSA-N 0 3 522.667 5.471 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534572 561717887 /nfs/dbraw/zinc/71/78/87/561717887.db2.gz KBIKENJDJYPBNS-XMMPIXPASA-N 0 3 511.493 6.223 1 0 KKAFHN COc1cc2c(cc1OC)C(=O)N([C@@H]1CCCN(CCCOc3ccc(OCc4ccccc4)cc3)C1)CC2 ZINC000013558944 561719497 /nfs/dbraw/zinc/71/94/97/561719497.db2.gz ROZKUPMORBJMBK-AREMUKBSSA-N 0 3 530.665 5.215 1 0 KKAFHN CN(C)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000013587469 561720730 /nfs/dbraw/zinc/72/07/30/561720730.db2.gz ZOPTUHMWTVWMAV-SANMLTNESA-N 0 3 521.686 6.679 1 0 KKAFHN O=C1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588391 561721025 /nfs/dbraw/zinc/72/10/25/561721025.db2.gz BTJBRCCYGKTBJW-PMERELPUSA-N 0 3 515.697 7.947 1 0 KKAFHN COc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643423 561722267 /nfs/dbraw/zinc/72/22/67/561722267.db2.gz DFOLWHGZUDJOTI-UHFFFAOYSA-N 0 3 528.480 5.661 1 0 KKAFHN C/C=C/CNc1nc(NC/C=C/C)nc(N2CCC(NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000013650728 561722984 /nfs/dbraw/zinc/72/29/84/561722984.db2.gz QSVSOBIAHURXIU-GGWOSOGESA-N 0 3 519.644 5.474 1 0 KKAFHN COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661215 561723519 /nfs/dbraw/zinc/72/35/19/561723519.db2.gz PPVOUBBMDYNPMN-HXUWFJFHSA-N 0 3 511.615 5.152 3 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CCN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000013661182 561723522 /nfs/dbraw/zinc/72/35/22/561723522.db2.gz QVXVWLQXQKIEKW-QHCPKHFHSA-N 0 3 521.654 6.280 3 0 KKAFHN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCN(C)C)cc2)[C@H]1O ZINC000013673067 561723744 /nfs/dbraw/zinc/72/37/44/561723744.db2.gz XBJAKPVORFQRHN-FQLXRVMXSA-N 0 3 530.775 5.340 1 0 KKAFHN CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000013674189 561723864 /nfs/dbraw/zinc/72/38/64/561723864.db2.gz YQBRYEMSCWENAH-GOSISDBHSA-N 0 3 508.403 6.114 1 0 KKAFHN Fc1ccc(C(OCCNC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000013780743 561729196 /nfs/dbraw/zinc/72/91/96/561729196.db2.gz YOXNDJORNITOMF-NDEPHWFRSA-N 0 3 500.589 6.128 1 0 KKAFHN CC(C)(C)c1cc([C@H]2SCC(=O)N2CCCN2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000013781693 561729425 /nfs/dbraw/zinc/72/94/25/561729425.db2.gz JVOUSBDNKSHHNC-SSEXGKCCSA-N 0 3 522.799 6.906 1 0 KKAFHN CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781695 561729446 /nfs/dbraw/zinc/72/94/46/561729446.db2.gz OIQRRPTWMZBNMA-DFHRPNOPSA-N 0 3 528.759 5.323 1 0 KKAFHN CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781682 561729449 /nfs/dbraw/zinc/72/94/49/561729449.db2.gz TUGILCFBIODMPH-HHHXNRCGSA-N 0 3 512.716 5.812 1 0 KKAFHN O=C(CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820073 561732615 /nfs/dbraw/zinc/73/26/15/561732615.db2.gz VGIDTBHBYLABTQ-FFCVWOAGSA-N 0 3 531.688 6.377 1 0 KKAFHN CCn1cc(CN(C)C)c2cccc(Sc3ccc(/C=C/C(=O)N4CCN(C(C)=O)CC4)cc3Cl)c21 ZINC000013862557 561734767 /nfs/dbraw/zinc/73/47/67/561734767.db2.gz DOTRUZSRWNXWJD-ZRDIBKRKSA-N 0 3 525.118 5.231 1 0 KKAFHN NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000013900850 561735595 /nfs/dbraw/zinc/73/55/95/561735595.db2.gz MWKJCJFYJWIFLL-QFIPXVFZSA-N 0 3 510.478 5.516 1 0 KKAFHN CN(C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(N(CCCC(F)(F)F)c3ccccc3)n2)cc1 ZINC000014128276 561736961 /nfs/dbraw/zinc/73/69/61/561736961.db2.gz OHDQHRAKDCCIMS-FQEVSTJZSA-N 0 3 568.438 5.765 1 0 KKAFHN Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(N)c(-c5ccc(-c6ccccc6CN6CCC(O)CC6)cc5)c(=O)c43)cc12 ZINC000014951313 561745984 /nfs/dbraw/zinc/74/59/84/561745984.db2.gz JKTNGLROJHNUKW-UHFFFAOYSA-N 0 3 615.616 5.329 1 0 KKAFHN CC(=O)Oc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br ZINC000014953546 561746664 /nfs/dbraw/zinc/74/66/64/561746664.db2.gz AFXSBHYPZXEQNT-UHFFFAOYSA-N 0 3 621.359 6.344 1 0 KKAFHN CN1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5ccccc54)ccc3[nH]2)ccc1C(F)(F)F ZINC000014965255 561749492 /nfs/dbraw/zinc/74/94/92/561749492.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 0 3 533.554 7.139 1 0 KKAFHN CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 ZINC000014965294 561749566 /nfs/dbraw/zinc/74/95/66/561749566.db2.gz KMNCFOUKJYOZIF-KRWDZBQOSA-N 0 3 507.978 5.245 1 0 in-vitro KKAFHN c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4ccncc4)c32)cc1 ZINC000014965389 561749671 /nfs/dbraw/zinc/74/96/71/561749671.db2.gz RSRIBZZUPWIEDF-UHFFFAOYSA-N 0 3 518.661 7.076 1 0 KKAFHN CN1C[C@@H](c2ccccc2)C(=O)[C@](c2ccccc2)(C2(O)[C@@H](c3ccccc3)CN(C)C[C@@H]2c2ccccc2)C1 ZINC000017300894 561754592 /nfs/dbraw/zinc/75/45/92/561754592.db2.gz MYEJTRVASCARKF-ZCUZWMQKSA-N 0 3 530.712 5.467 1 0 KKAFHN COc1ccc([C@H](CCN2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000017545691 561755873 /nfs/dbraw/zinc/75/58/73/561755873.db2.gz IFPCQGFXMAXFBA-PMERELPUSA-N 0 3 590.720 6.830 3 0 KKAFHN COc1cc(OC)c([C@@H](CCN2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12 ZINC000017545764 561756046 /nfs/dbraw/zinc/75/60/46/561756046.db2.gz XKIPIKHAXOFXLT-DEOSSOPVSA-N 0 3 574.674 5.180 3 0 KKAFHN COc1cc(OC)c([C@H](CCN2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(C)c12 ZINC000017545830 561756170 /nfs/dbraw/zinc/75/61/70/561756170.db2.gz RUGOEWKUIVRDKO-XMMPIXPASA-N 0 3 542.632 5.192 3 0 KKAFHN CC(=O)O[C@@H](CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924749 561759527 /nfs/dbraw/zinc/75/95/27/561759527.db2.gz XSOJJKZGFTXNMQ-PMERELPUSA-N 0 3 521.652 5.538 1 0 KKAFHN CN(C)CCN1CCN(c2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000023359218 561761962 /nfs/dbraw/zinc/76/19/62/561761962.db2.gz WZAKHOAIQXFVJG-UHFFFAOYSA-N 0 3 560.917 5.149 1 0 KKAFHN CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 ZINC000025422036 561762740 /nfs/dbraw/zinc/76/27/40/561762740.db2.gz YGYLUOKAHBFLCH-UHFFFAOYSA-N 0 3 576.137 5.721 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CO)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008738 561765716 /nfs/dbraw/zinc/76/57/16/561765716.db2.gz JRZAVNKHAFQMNW-UHFFFAOYSA-N 0 3 656.746 6.223 1 0 KKAFHN Clc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(Cl)cc5n5cccc45)CC3)c3cccn3c2c1 ZINC000026144721 561767076 /nfs/dbraw/zinc/76/70/76/561767076.db2.gz CKUOLWWDHLNWEF-UHFFFAOYSA-N 0 3 601.586 6.517 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160961 561768571 /nfs/dbraw/zinc/76/85/71/561768571.db2.gz XOLUMIJQZDSNAE-QPPBQGQZSA-N 0 3 504.652 5.097 1 0 KKAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026183904 561772303 /nfs/dbraw/zinc/77/23/03/561772303.db2.gz RJSLEEVKHLKNSO-UHFFFAOYSA-N 0 3 667.295 5.278 1 0 KKAFHN CN(C[C@@H](CCN1CCC[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026294948 561781269 /nfs/dbraw/zinc/78/12/69/561781269.db2.gz BCMOURGLNMDTBL-JWQCQUIFSA-N 0 3 565.545 6.610 1 0 KKAFHN CC[C@@](CCCCCN1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026283536 561779451 /nfs/dbraw/zinc/77/94/51/561779451.db2.gz FUXGUCORRPMWFN-UMSFTDKQSA-N 0 3 563.804 8.046 1 0 KKAFHN CN(C[C@H](CCN1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026287227 561779936 /nfs/dbraw/zinc/77/99/36/561779936.db2.gz VDGIWFABCWUAFZ-BJKOFHAPSA-N 0 3 551.518 6.219 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026498532 561794793 /nfs/dbraw/zinc/79/47/93/561794793.db2.gz IVFIQYQKZVVEMA-RUZDIDTESA-N 0 3 515.094 6.153 1 0 KKAFHN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(c3ccccc3)CC2)cc(OC)c1 ZINC000026499991 561795239 /nfs/dbraw/zinc/79/52/39/561795239.db2.gz SRBXSDDOUTUUBD-UHFFFAOYSA-N 0 3 537.100 6.751 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(CC1)c1ccccc1C(=O)N2C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026500184 561795243 /nfs/dbraw/zinc/79/52/43/561795243.db2.gz WFIFDHURFZVODR-XMMPIXPASA-N 0 3 552.140 5.211 1 0 KKAFHN CCCN(C(=O)CCc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500162 561795245 /nfs/dbraw/zinc/79/52/45/561795245.db2.gz YGMVKHHAYZQLBJ-HKBQPEDESA-N 0 3 575.819 5.817 1 0 KKAFHN CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026487883 561792742 /nfs/dbraw/zinc/79/27/42/561792742.db2.gz KIFOBRKKDFKEIA-GDLZYMKVSA-N 0 3 655.261 5.747 1 0 KKAFHN CCCN(C(=O)OCc1ccc(C)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026495284 561794210 /nfs/dbraw/zinc/79/42/10/561794210.db2.gz MBAQWZPBZUGQNO-WJOKGBTCSA-N 0 3 591.818 6.303 1 0 KKAFHN CCCN(C(=O)NCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496030 561794350 /nfs/dbraw/zinc/79/43/50/561794350.db2.gz XRRKFLBCLJVILR-SSEXGKCCSA-N 0 3 576.807 5.567 1 0 KKAFHN CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026296731 561781627 /nfs/dbraw/zinc/78/16/27/561781627.db2.gz DCJXJZRHLYXSCU-AXLBLIHRSA-N 0 3 654.896 5.478 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026501418 561795609 /nfs/dbraw/zinc/79/56/09/561795609.db2.gz NMYAJBAKQIGAGY-XMMPIXPASA-N 0 3 552.140 5.510 1 0 KKAFHN Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)c(C)c1C ZINC000026576798 561800678 /nfs/dbraw/zinc/80/06/78/561800678.db2.gz WUSCFVWMOICBNY-UHFFFAOYSA-N 0 3 572.219 5.219 1 0 KKAFHN CN(C)c1ccc(-c2nc(-c3ccc(C=CCN4CCCCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026577514 561801666 /nfs/dbraw/zinc/80/16/66/561801666.db2.gz JDHQPKFRVHUGCX-CMDGGOBGSA-N 0 3 505.710 7.042 1 0 KKAFHN CN(C)c1ccc(-c2nc(-c3ccc(/C=C/CN4CCCCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026577514 561801668 /nfs/dbraw/zinc/80/16/68/561801668.db2.gz JDHQPKFRVHUGCX-CMDGGOBGSA-N 0 3 505.710 7.042 1 0 KKAFHN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026579351 561804489 /nfs/dbraw/zinc/80/44/89/561804489.db2.gz UAGQBZXOHKNJRH-UHFFFAOYSA-N 0 3 617.212 5.168 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 ZINC000026579421 561804668 /nfs/dbraw/zinc/80/46/68/561804668.db2.gz CSYLEHSOUHZAFC-CCPAGJRDSA-N 0 3 571.570 6.753 1 0 KKAFHN O=[S@]1CC2(CCN(CC[C@H](COCc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026579497 561804793 /nfs/dbraw/zinc/80/47/93/561804793.db2.gz CBMMNOSYXCNURZ-CGDLVVIGSA-N 0 3 528.545 6.839 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2ccccc21 ZINC000026670497 561812197 /nfs/dbraw/zinc/81/21/97/561812197.db2.gz OOXDXFUQQOUCNQ-CBWMPJGPSA-N 0 3 625.637 8.149 1 0 KKAFHN CC(C)([NH3+])CCCS[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026827245 561822281 /nfs/dbraw/zinc/82/22/81/561822281.db2.gz RFPOEVHGNUPAGK-HHHXNRCGSA-N 0 3 526.710 5.632 1 0 KKAFHN CC(C)([NH3+])CCCS[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026827245 561822283 /nfs/dbraw/zinc/82/22/83/561822283.db2.gz RFPOEVHGNUPAGK-HHHXNRCGSA-N 0 3 526.710 5.632 1 0 KKAFHN Cc1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026674110 561813310 /nfs/dbraw/zinc/81/33/10/561813310.db2.gz NUUXFRVGZFYRQH-WXKBGNPMSA-N 0 3 621.674 8.318 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4CCOc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674345 561813505 /nfs/dbraw/zinc/81/35/05/561813505.db2.gz ZKIRNRZUIHQPCN-VQJSHJPSSA-N 0 3 706.840 6.503 1 0 KKAFHN CN(CCCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026840605 561825684 /nfs/dbraw/zinc/82/56/84/561825684.db2.gz DNGKALAOBQCDPL-LJAQVGFWSA-N 0 3 556.769 6.081 1 0 KKAFHN CN(CCCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026840600 561825729 /nfs/dbraw/zinc/82/57/29/561825729.db2.gz DNGKALAOBQCDPL-GDLZYMKVSA-N 0 3 556.769 6.081 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000026848348 561826906 /nfs/dbraw/zinc/82/69/06/561826906.db2.gz CWHDMLNZVZVXIE-MHZLTWQESA-N 0 3 526.768 5.392 1 0 KKAFHN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 ZINC000026960295 561829548 /nfs/dbraw/zinc/82/95/48/561829548.db2.gz SUEFKCGTIDVUOI-AREMUKBSSA-N 0 3 573.612 6.046 1 0 KKAFHN CCOC(=O)C1C(C)=NC(=S)N(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000026968701 561830236 /nfs/dbraw/zinc/83/02/36/561830236.db2.gz PKVDFWRNVZYXLU-INCHCDLYSA-N 0 3 547.599 6.025 1 0 KKAFHN CCOC(=O)N1C(=S)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026985977 561831893 /nfs/dbraw/zinc/83/18/93/561831893.db2.gz FVYCHGZRYVAZJF-MOBKVPTQSA-N 0 3 535.588 5.883 1 0 KKAFHN C[C@@H](c1ccc(I)cc1)N1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000026995712 561833289 /nfs/dbraw/zinc/83/32/89/561833289.db2.gz QCDDKNCWCRNPEP-OALUTQOASA-N 0 3 580.942 5.289 1 0 KKAFHN O=C(CN1CCCC[C@@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)CN4CCCC[C@@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183544 561842140 /nfs/dbraw/zinc/84/21/40/561842140.db2.gz AKANNFYFILQRNV-VSGBNLITSA-N 0 3 664.986 8.433 1 0 KKAFHN CN(Cc1c(-c2ccc(NC(=O)CN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027184537 561842345 /nfs/dbraw/zinc/84/23/45/561842345.db2.gz IGCMTWXSJAWVSM-UHFFFAOYSA-N 0 3 651.739 5.737 1 0 KKAFHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)N2C ZINC000027214042 561847791 /nfs/dbraw/zinc/84/77/91/561847791.db2.gz XRLXHADLAXWZDU-WOZUAGRISA-N 0 3 617.265 5.026 1 0 KKAFHN CCN(CC)CCO/N=C1\C=C[C@@]2(C)[C@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]32)C1(C)C ZINC000027410516 561856327 /nfs/dbraw/zinc/85/63/27/561856327.db2.gz KPLRMIZYYDOWGI-CCPQXYFISA-N 0 3 550.784 7.384 1 0 KKAFHN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)/C(=N/OCCN3CCCC3)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412533 561856533 /nfs/dbraw/zinc/85/65/33/561856533.db2.gz ATEHWGPRICGPOU-SFTVQOBMSA-N 0 3 548.768 7.138 1 0 KKAFHN Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)[N-]c4nncs4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027520657 561863636 /nfs/dbraw/zinc/86/36/36/561863636.db2.gz QLYDPADLSBXEQL-GOSISDBHSA-N 0 3 538.073 5.480 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526326 561866266 /nfs/dbraw/zinc/86/62/66/561866266.db2.gz UJELWGXJMXZTIC-LJAQVGFWSA-N 0 3 567.677 5.564 1 0 KKAFHN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000027552980 561868503 /nfs/dbraw/zinc/86/85/03/561868503.db2.gz ZFGRMWBYHAUOCE-JGCGQSQUSA-N 0 3 557.760 7.018 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3Sc3ccccc3)cc1)CC2 ZINC000027656859 561877813 /nfs/dbraw/zinc/87/78/13/561877813.db2.gz JXEHHPLONHIVET-UHFFFAOYSA-N 0 3 524.686 6.708 1 0 KKAFHN c1ccc2c(c1)[nH]c1c2CCN(c2ncc(-c3ccc(OCCN4CCCC4)cc3)cn2)[C@H]1c1ccc2c(c1)CCO2 ZINC000027868587 561887943 /nfs/dbraw/zinc/88/79/43/561887943.db2.gz ARHUEIJTBOZVJC-UMSFTDKQSA-N 0 3 557.698 6.187 1 0 KKAFHN Cc1cc(-c2ccccc2)nn1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007243 561895770 /nfs/dbraw/zinc/89/57/70/561895770.db2.gz HZQZTHYEYWXIAQ-KCTCJIHVSA-N 0 3 540.752 6.245 1 0 KKAFHN Cc1cc(-c2ccccc2)nn1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007243 561895771 /nfs/dbraw/zinc/89/57/71/561895771.db2.gz HZQZTHYEYWXIAQ-KCTCJIHVSA-N 0 3 540.752 6.245 1 0 KKAFHN COc1cc(CCN2CCN(CCCCOc3ccc(Cl)cc3[C@@H]3Sc4ccccc4N3C(C)=O)CC2)cc(OC)c1OC ZINC000028013171 561896729 /nfs/dbraw/zinc/89/67/29/561896729.db2.gz BMOOPJSSGFKUKB-UMSFTDKQSA-N 0 3 640.246 6.543 1 0 KKAFHN COc1ccc(OCCCN(C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020666 561898373 /nfs/dbraw/zinc/89/83/73/561898373.db2.gz IBYSMUQVMPGPNX-WJOKGBTCSA-N 0 3 566.720 5.822 1 0 KKAFHN CCC(=O)N1c2ccccc2S[C@H]1c1cc(OC)ccc1OCCCCN1CCN(CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000028087282 561899433 /nfs/dbraw/zinc/89/94/33/561899433.db2.gz JWFREIDKTUIMEC-BHVANESWSA-N 0 3 649.854 6.288 1 0 KKAFHN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028093798 561900387 /nfs/dbraw/zinc/90/03/87/561900387.db2.gz QXBBLTVHGIMTJE-QDOWCXKUSA-N 0 3 699.814 8.614 1 0 KKAFHN O=C(OCC1(N(C(=O)c2ccccc2)c2ccccc2)CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000028101191 561901699 /nfs/dbraw/zinc/90/16/99/561901699.db2.gz OLNJFXJBWKTHPP-UHFFFAOYSA-N 0 3 518.657 6.268 1 0 KKAFHN CN1CCN(CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028106283 561902328 /nfs/dbraw/zinc/90/23/28/561902328.db2.gz SSJBBNZWJHOPCO-UHFFFAOYSA-N 0 3 622.835 7.057 1 0 KKAFHN CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136797 561906802 /nfs/dbraw/zinc/90/68/02/561906802.db2.gz PVIPSFPLLZFEEP-URLMMPGGSA-N 0 3 593.143 6.177 1 0 KKAFHN Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000028222885 561907540 /nfs/dbraw/zinc/90/75/40/561907540.db2.gz NCGHHQZXXVCREK-HKBQPEDESA-N 0 3 570.755 6.697 1 0 KKAFHN Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000028222885 561907542 /nfs/dbraw/zinc/90/75/42/561907542.db2.gz NCGHHQZXXVCREK-HKBQPEDESA-N 0 3 570.755 6.697 1 0 KKAFHN CN1CC[C@@H]([N@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028379889 561919931 /nfs/dbraw/zinc/91/99/31/561919931.db2.gz BXBBTGROZZZYEE-GOSISDBHSA-N 0 3 568.061 5.650 1 0 KKAFHN CN1CC[C@@H]([N@@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028379889 561919932 /nfs/dbraw/zinc/91/99/32/561919932.db2.gz BXBBTGROZZZYEE-GOSISDBHSA-N 0 3 568.061 5.650 1 0 KKAFHN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CCSCC1 ZINC000028385969 561921124 /nfs/dbraw/zinc/92/11/24/561921124.db2.gz RDSDHVFGSILSQU-MRXNPFEDSA-N 0 3 545.048 5.378 1 0 KKAFHN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)CN1CCSCC1 ZINC000028389159 561921849 /nfs/dbraw/zinc/92/18/49/561921849.db2.gz UGGXSVBEXQDAJA-HNNXBMFYSA-N 0 3 531.021 5.075 1 0 KKAFHN CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028462462 561925500 /nfs/dbraw/zinc/92/55/00/561925500.db2.gz GUUTVUZKVDEKJX-UHFFFAOYSA-N 0 3 504.600 7.287 1 0 KKAFHN CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NCCN1CCCCC1)Cc1ccc(Cl)cc1 ZINC000028522360 561929515 /nfs/dbraw/zinc/92/95/15/561929515.db2.gz IFYSHYSCLCXIBE-GTCGAKFVSA-N 0 3 590.008 6.219 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522938 561929702 /nfs/dbraw/zinc/92/97/02/561929702.db2.gz YMRAFUPPFPFNJB-NPLMNSEMSA-N 0 3 528.741 5.888 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522938 561929703 /nfs/dbraw/zinc/92/97/03/561929703.db2.gz YMRAFUPPFPFNJB-NPLMNSEMSA-N 0 3 528.741 5.888 1 0 KKAFHN COc1ccccc1[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000028523959 561930637 /nfs/dbraw/zinc/93/06/37/561930637.db2.gz IWLOGSSUYJFLKZ-DEOSSOPVSA-N 0 3 505.490 5.815 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523906 561930650 /nfs/dbraw/zinc/93/06/50/561930650.db2.gz LETGUAMCHXDZCJ-GEWUYGHSSA-N 0 3 573.540 6.319 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523906 561930651 /nfs/dbraw/zinc/93/06/51/561930651.db2.gz LETGUAMCHXDZCJ-GEWUYGHSSA-N 0 3 573.540 6.319 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCC(CO)CC1)ncnc2Nc1ncc(Oc2cccc(F)c2)s1 ZINC000028568598 561937385 /nfs/dbraw/zinc/93/73/85/561937385.db2.gz UGCMPWVZDVKTSS-UHFFFAOYSA-N 0 3 539.633 5.243 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1 ZINC000028635685 561941142 /nfs/dbraw/zinc/94/11/42/561941142.db2.gz UPBALUIJOHCLMX-HHHXNRCGSA-N 0 3 575.544 6.037 1 0 KKAFHN CCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC000028636489 561941246 /nfs/dbraw/zinc/94/12/46/561941246.db2.gz SYKLZSJRKKGRJA-MUUNZHRXSA-N 0 3 539.728 5.744 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646312 561945172 /nfs/dbraw/zinc/94/51/72/561945172.db2.gz MBWDVGJDHXOXCK-PGUFJCEWSA-N 0 3 542.787 6.200 1 0 KKAFHN COc1cc(/C=C/C(=O)OCCCN2CCN(CCCOC(=O)C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000028637874 561941793 /nfs/dbraw/zinc/94/17/93/561941793.db2.gz GCQGBWHIGHFUOP-CCEZHUSRSA-N 0 3 614.739 5.022 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646389 561945294 /nfs/dbraw/zinc/94/52/94/561945294.db2.gz FBBUWUQOOSRYPX-UUWRZZSWSA-N 0 3 563.205 6.464 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21 ZINC000028644856 561944446 /nfs/dbraw/zinc/94/44/46/561944446.db2.gz JCFWMGLQLSOSOF-FIRIVFDPSA-N 0 3 569.727 5.485 1 0 KKAFHN CCN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646147 561944808 /nfs/dbraw/zinc/94/48/08/561944808.db2.gz ZVQKMPSKLZYTED-YTTGMZPUSA-N 0 3 502.722 5.298 1 0 KKAFHN CC(C)Oc1ccc2ccccc2c1CCCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646274 561944906 /nfs/dbraw/zinc/94/49/06/561944906.db2.gz LXYNSRGSZRHNAF-PGUFJCEWSA-N 0 3 574.829 6.474 1 0 KKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000028710114 561950999 /nfs/dbraw/zinc/95/09/99/561950999.db2.gz UBAAMKRAOLDWBF-UHFFFAOYSA-N 0 3 511.710 6.107 1 0 KKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028710119 561951020 /nfs/dbraw/zinc/95/10/20/561951020.db2.gz OJVUOPKFXPMGGA-UHFFFAOYSA-N 0 3 547.690 6.386 1 0 KKAFHN CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702710 561947207 /nfs/dbraw/zinc/94/72/07/561947207.db2.gz OQHYZEOWQMXHCP-DEOSSOPVSA-N 0 3 612.640 6.809 1 0 KKAFHN COC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702819 561947345 /nfs/dbraw/zinc/94/73/45/561947345.db2.gz SFMLSDLMRDESKD-HSZRJFAPSA-N 0 3 628.639 7.029 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cccc(NS(C)(=O)=O)c5)cc4)CC3)C2=O)c1 ZINC000028704532 561948639 /nfs/dbraw/zinc/94/86/39/561948639.db2.gz PTBVZWLQUNTUCO-UHFFFAOYSA-N 0 3 642.753 5.876 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cccc(NC(C)=O)c5)cc4)CC3)C2=O)c1 ZINC000028704528 561948674 /nfs/dbraw/zinc/94/86/74/561948674.db2.gz RLLJIFQAPOMTDL-UHFFFAOYSA-N 0 3 606.698 6.463 1 0 KKAFHN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CCN(C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000028707780 561950221 /nfs/dbraw/zinc/95/02/21/561950221.db2.gz OGXVBOIHGLDPBG-LJQANCHMSA-N 0 3 540.561 5.238 1 0 KKAFHN O=C(CCCCc1ccccc1)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714030 561954361 /nfs/dbraw/zinc/95/43/61/561954361.db2.gz VFAUJOHXJJLUGE-UHFFFAOYSA-N 0 3 522.137 5.227 1 0 KKAFHN O=C(CCCc1c[nH]c2ccccc12)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714016 561954457 /nfs/dbraw/zinc/95/44/57/561954457.db2.gz NFRCQVVXANJLNS-UHFFFAOYSA-N 0 3 547.147 5.318 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(Cl)cc(Cl)c1 ZINC000028714033 561954465 /nfs/dbraw/zinc/95/44/65/561954465.db2.gz QWCZJWWYSIXZOO-UHFFFAOYSA-N 0 3 534.919 5.435 1 0 KKAFHN CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1OC ZINC000028759834 561957681 /nfs/dbraw/zinc/95/76/81/561957681.db2.gz NOWGECDTRWCHKG-UHFFFAOYSA-N 0 3 589.622 6.940 1 0 KKAFHN CCNCc1cc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)ccc1OC ZINC000028758569 561957202 /nfs/dbraw/zinc/95/72/02/561957202.db2.gz SJXLBFALXAPIQF-UHFFFAOYSA-N 0 3 512.445 6.144 1 0 KKAFHN c1ccc(C(c2ccccc2)N2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)cc1 ZINC000028816178 561963966 /nfs/dbraw/zinc/96/39/66/561963966.db2.gz FMGHYAOOIORXPJ-ZAQUEYBZSA-N 0 3 610.798 8.391 1 0 KKAFHN C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1CN1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816388 561964113 /nfs/dbraw/zinc/96/41/13/561964113.db2.gz NGGXTXNCMMOGIG-LDNVYYCDSA-N 0 3 574.809 7.559 1 0 KKAFHN COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818159 561965255 /nfs/dbraw/zinc/96/52/55/561965255.db2.gz WLVVWVWAWIFTAL-SSEXGKCCSA-N 0 3 539.642 5.882 1 0 KKAFHN COc1cc(-c2csc3c2c(N)ncc3NC(=O)NCCN2CCCC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822572 561967276 /nfs/dbraw/zinc/96/72/76/561967276.db2.gz VWOCJYLYEFQULE-UHFFFAOYSA-N 0 3 583.718 5.515 1 0 KKAFHN CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCCN3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028871052 561974217 /nfs/dbraw/zinc/97/42/17/561974217.db2.gz CIWCIWKIJLDSKT-WRVRXEDSSA-N 0 3 562.762 5.278 1 0 KKAFHN COc1ccccc1N1CCN(CCc2cccc(OCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873119 561974797 /nfs/dbraw/zinc/97/47/97/561974797.db2.gz RNKNHGHLOCVTGY-UHFFFAOYSA-N 0 3 678.918 6.671 1 0 KKAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2cccc(Cl)c2)CC1 ZINC000028895520 561979003 /nfs/dbraw/zinc/97/90/03/561979003.db2.gz XTVWWGBNZRULLJ-NDEPHWFRSA-N 0 3 574.574 5.465 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000028978425 561987821 /nfs/dbraw/zinc/98/78/21/561987821.db2.gz ZDVISXXOPXEHTP-URLMMPGGSA-N 0 3 596.694 5.491 1 0 KKAFHN CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039598 561990077 /nfs/dbraw/zinc/99/00/77/561990077.db2.gz FDUNRVDGFUHUJI-XZWHSSHBSA-N 0 3 617.734 5.080 1 0 KKAFHN CCOC(=O)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc1 ZINC000029048649 561993713 /nfs/dbraw/zinc/99/37/13/561993713.db2.gz NIWURZPXHKKFMY-USHMODERSA-N 0 3 524.621 5.316 1 0 KKAFHN O=c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)[nH]n2)c[nH]1 ZINC000029049249 561994020 /nfs/dbraw/zinc/99/40/20/561994020.db2.gz TXAXABBSLWMLKG-UHFFFAOYSA-N 0 3 538.655 6.422 1 0 KKAFHN O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000029055755 561994949 /nfs/dbraw/zinc/99/49/49/561994949.db2.gz SEVSUJRCGUIOBL-KYJUHHDHSA-N 0 3 719.521 5.634 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cscn4)c3=O)CC2)C(C)C)c1 ZINC000029062584 561996061 /nfs/dbraw/zinc/99/60/61/561996061.db2.gz AEKVLGLTXHMUPW-NDEPHWFRSA-N 0 3 534.726 5.755 1 0 KKAFHN CN(CCCN(C)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029205364 562005119 /nfs/dbraw/zinc/00/51/19/562005119.db2.gz BTOUXBIKDFEGTL-UHFFFAOYSA-N 0 3 660.821 6.568 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000029210558 562005655 /nfs/dbraw/zinc/00/56/55/562005655.db2.gz FOKCUERTAYBKPN-RWYGWLOXSA-N 0 3 743.909 5.268 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000029220634 562007085 /nfs/dbraw/zinc/00/70/85/562007085.db2.gz WDFRRHNMLAWMDT-KDXMTYKHSA-N 0 3 745.881 5.446 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000029346761 562016392 /nfs/dbraw/zinc/01/63/92/562016392.db2.gz VBJNBIZNIBCBGI-OFTUEALKSA-N 0 3 695.949 5.797 1 0 KKAFHN CN1CCC(NC(=O)CN2C(=O)[C@@H](CC(=O)NCc3cccc4ccccc43)S[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029390970 562017440 /nfs/dbraw/zinc/01/74/40/562017440.db2.gz NQVXCCOCRANZCK-PDDLMNHVSA-N 0 3 599.584 5.006 1 0 KKAFHN CCc1sc(CCc2cc(OC3CCCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029467012 562024669 /nfs/dbraw/zinc/02/46/69/562024669.db2.gz KVMGSEHSJXQRMD-UHFFFAOYSA-N 0 3 571.187 8.128 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](CCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc21 ZINC000029489530 562029109 /nfs/dbraw/zinc/02/91/09/562029109.db2.gz YEOXHNNQFZRYKV-HHHXNRCGSA-N 0 3 586.585 5.424 1 0 KKAFHN CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553769 562031728 /nfs/dbraw/zinc/03/17/28/562031728.db2.gz WKQSQQHHTZBHTH-OCBJUFRSSA-N 0 3 601.754 5.842 1 0 KKAFHN COc1cc(NCCCCCCN2CCN(CCO)CC2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029567876 562034769 /nfs/dbraw/zinc/03/47/69/562034769.db2.gz OKVAHAGUAGNAHL-UHFFFAOYSA-N 0 3 560.661 5.945 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 ZINC000034804143 562042899 /nfs/dbraw/zinc/04/28/99/562042899.db2.gz VMOJBBXFYCGPAL-QFIPXVFZSA-N 0 3 501.515 5.547 1 0 KKAFHN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(CN3CCC3)ccc21 ZINC000036161534 562048796 /nfs/dbraw/zinc/04/87/96/562048796.db2.gz IGJZXPWWZOFEDV-JYFHCDHNSA-N 0 3 549.659 5.038 1 0 KKAFHN O=C(/C=C/CN1CCCCC1)Nc1cc2c(cc1OCCF)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000035873690 562045528 /nfs/dbraw/zinc/04/55/28/562045528.db2.gz GFMMDHSSOIPFTF-SNAWJCMRSA-N 0 3 501.965 5.495 1 0 KKAFHN O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(CC3CCCCC3)CC2)c2ccccc21)c1ccccc1Cl ZINC000036188219 562050858 /nfs/dbraw/zinc/05/08/58/562050858.db2.gz AQYOBQIIGLFQRP-UHFFFAOYSA-N 0 3 562.545 7.066 1 0 KKAFHN CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3CN2C)CC1 ZINC000036284693 562053300 /nfs/dbraw/zinc/05/33/00/562053300.db2.gz CXNCKVKDTNIURI-WKNISULPSA-N 0 3 634.240 5.311 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2csc3ccccc23)CC1 ZINC000036285481 562054273 /nfs/dbraw/zinc/05/42/73/562054273.db2.gz TUQXAWVZCHPWJW-QHCPKHFHSA-N 0 3 503.634 6.247 1 0 KKAFHN CCOc1cccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285717 562054348 /nfs/dbraw/zinc/05/43/48/562054348.db2.gz FGPYYVRPPVIISD-CPJSRVTESA-N 0 3 505.625 5.677 1 0 KKAFHN CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC000036285743 562054356 /nfs/dbraw/zinc/05/43/56/562054356.db2.gz USLNHTRUXIZORR-JTSKRJEESA-N 0 3 512.016 5.638 1 0 KKAFHN Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338846 562057353 /nfs/dbraw/zinc/05/73/53/562057353.db2.gz JBIAJPDELARJKZ-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1cccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338846 562057355 /nfs/dbraw/zinc/05/73/55/562057355.db2.gz JBIAJPDELARJKZ-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5cc(Cl)cc(Cl)c5)s4)n[nH]c2-3)CC1 ZINC000036338839 562057399 /nfs/dbraw/zinc/05/73/99/562057399.db2.gz QFUMXJTWUNRHSU-UHFFFAOYSA-N 0 3 567.546 6.085 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000036338839 562057400 /nfs/dbraw/zinc/05/74/00/562057400.db2.gz QFUMXJTWUNRHSU-UHFFFAOYSA-N 0 3 567.546 6.085 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1cccc2ccccc21 ZINC000036349214 562057841 /nfs/dbraw/zinc/05/78/41/562057841.db2.gz CQGFWVSHFMZYIX-SSEXGKCCSA-N 0 3 542.687 5.689 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CC(c1ccccc1)c1ccccc1 ZINC000036349210 562057855 /nfs/dbraw/zinc/05/78/55/562057855.db2.gz OGHUYUKIMSORCD-PSXMRANNSA-N 0 3 635.816 6.995 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1 ZINC000036349197 562057883 /nfs/dbraw/zinc/05/78/83/562057883.db2.gz RUNMBACJZJEKQV-GDLZYMKVSA-N 0 3 614.581 6.518 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(OC(F)(F)F)cc4)C[C@H]23)CC1 ZINC000036351506 562058495 /nfs/dbraw/zinc/05/84/95/562058495.db2.gz CUAOLPFNRIMUNG-AVPJRLCVSA-N 0 3 569.043 5.969 1 0 KKAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1)[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000036351497 562058576 /nfs/dbraw/zinc/05/85/76/562058576.db2.gz PVIPSFPLLZFEEP-WDYNHAJCSA-N 0 3 593.143 6.177 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1 ZINC000036351574 562058618 /nfs/dbraw/zinc/05/86/18/562058618.db2.gz ZBWCIGIECRCQTM-AVPJRLCVSA-N 0 3 503.037 5.210 1 0 KKAFHN CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCOCC5)c4)C[C@@H]3C2)CC1 ZINC000036351797 562059152 /nfs/dbraw/zinc/05/91/52/562059152.db2.gz LFKWTBBRONKEKP-CLTMYIMISA-N 0 3 611.662 5.656 1 0 KKAFHN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000038146170 562064939 /nfs/dbraw/zinc/06/49/39/562064939.db2.gz MQZDVCONYYKCKZ-QCENPCRXSA-N 0 3 583.704 5.942 3 0 KKAFHN COC(=O)[C@@](CCCN1CCN(Cc2ccc(OC)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040395262 562074506 /nfs/dbraw/zinc/07/45/06/562074506.db2.gz GAOCCMGLJNRQJF-HHHXNRCGSA-N 0 3 517.508 5.123 1 0 KKAFHN CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157517 562069196 /nfs/dbraw/zinc/06/91/96/562069196.db2.gz OIQRRPTWMZBNMA-DWACAAAGSA-N 0 3 528.759 5.323 1 0 KKAFHN CC(C)n1c(N2CCNCC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000143645058 562835186 /nfs/dbraw/zinc/83/51/86/562835186.db2.gz SVHOOLBSHFPWHK-UHFFFAOYSA-N 0 3 559.926 5.077 1 0 KKAFHN Cc1cccc(C)c1/C=C/n1cnc2c1nc(C1CCN(C)CC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040393457 562073962 /nfs/dbraw/zinc/07/39/62/562073962.db2.gz ZBNYUKRKQDQVAN-OBGWFSINSA-N 0 3 514.614 5.872 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040393023 562073984 /nfs/dbraw/zinc/07/39/84/562073984.db2.gz LISRBXCIODAVII-XORNHQRDSA-N 0 3 500.483 5.682 1 0 KKAFHN C[C@@H](O)CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395451 562074458 /nfs/dbraw/zinc/07/44/58/562074458.db2.gz RKTACIMPZTWTHT-BHKDYNOVSA-N 0 3 523.504 6.145 1 0 KKAFHN CCN(CC)C[C@@H](O)CSC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422449 562075969 /nfs/dbraw/zinc/07/59/69/562075969.db2.gz LLMCAXLJBYLHOZ-FYYLOGMGSA-N 0 3 514.679 5.868 1 0 KKAFHN c1ccc(COc2ccc(CCCN3CCN(CCCCn4c5ccccc5c5ccccc54)CC3)cc2)cc1 ZINC000040836407 562080155 /nfs/dbraw/zinc/08/01/55/562080155.db2.gz YINAQRZLIUZONU-UHFFFAOYSA-N 0 3 531.744 7.404 1 0 KKAFHN C[C@@H](c1ccn(-c2ccc(C(F)(F)F)cc2)c1)N1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000040899809 562083369 /nfs/dbraw/zinc/08/33/69/562083369.db2.gz KECSVTDSTFIBIO-SFHVURJKSA-N 0 3 505.968 5.870 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCC1 ZINC000040952146 562086149 /nfs/dbraw/zinc/08/61/49/562086149.db2.gz HMYAEJVTRKONJY-JTHBVZDNSA-N 0 3 512.663 5.622 1 0 KKAFHN CCC(=O)O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040976244 562087145 /nfs/dbraw/zinc/08/71/45/562087145.db2.gz RHRXILJKQSDOMT-PMERELPUSA-N 0 3 521.652 6.195 1 0 KKAFHN CCNC1(Oc2cc(OC)c3c(c2)-c2c(O)cc4c(c2CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO4)CCCCC1 ZINC000085567560 560070401 /nfs/dbraw/zinc/07/04/01/560070401.db2.gz UHQQLWAKXOGKJZ-BNHRFMORSA-N 0 3 591.701 5.748 1 0 biogenic,in-vitro KKAFHN CC1=C[C@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C\CCC4=NCCC[C@@]43CC2)OC1=O ZINC000015265887 571738646 /nfs/dbraw/zinc/73/86/46/571738646.db2.gz DVXZVCNEGRKLMW-ZNWBEMGTSA-N 0 3 507.715 6.427 1 0 endogenous,in-man KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000043122344 562646209 /nfs/dbraw/zinc/64/62/09/562646209.db2.gz LWYNHLQFGJBUEK-AREMUKBSSA-N 0 3 530.635 5.102 1 0 KKAFHN CCCN(C(C)=O)C1CCN(CC[C@](C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000043203082 562646948 /nfs/dbraw/zinc/64/69/48/562646948.db2.gz HGOGUZYKZRGMAO-YTMVLYRLSA-N 0 3 566.545 5.353 1 0 KKAFHN Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@@H](CN3CCN(c4ccccc4)CC3)c3ccccc3)n1-2 ZINC000043323503 562647843 /nfs/dbraw/zinc/64/78/43/562647843.db2.gz OEMRNLJPDBLZPQ-PMERELPUSA-N 0 3 559.117 6.226 1 0 KKAFHN CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O)[NH2+]Cc1ccccc1 ZINC000043649271 562650619 /nfs/dbraw/zinc/65/06/19/562650619.db2.gz XHAWYULGYZHIEE-WJOKGBTCSA-N 0 3 599.739 5.456 1 0 KKAFHN CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O)[NH2+]Cc1ccccc1 ZINC000043649271 562650620 /nfs/dbraw/zinc/65/06/20/562650620.db2.gz XHAWYULGYZHIEE-WJOKGBTCSA-N 0 3 599.739 5.456 1 0 KKAFHN O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccncc3)CC2)nn1)OC1CCCC1 ZINC000044069595 562652089 /nfs/dbraw/zinc/65/20/89/562652089.db2.gz AWYYUZJMYHHIEM-LQJZCPKCSA-N 0 3 579.749 5.059 1 0 KKAFHN O=C(CCc1ccccc1)O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044281237 562653014 /nfs/dbraw/zinc/65/30/14/562653014.db2.gz HMGVPHBFARTUCU-PSXMRANNSA-N 0 3 597.750 7.418 1 0 KKAFHN COC(=O)CCCN[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000044305516 562653484 /nfs/dbraw/zinc/65/34/84/562653484.db2.gz ZOMSEVOHXDVESY-MHZLTWQESA-N 0 3 618.027 5.821 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1 ZINC000044307156 562653953 /nfs/dbraw/zinc/65/39/53/562653953.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 0 3 640.777 6.468 1 0 KKAFHN CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044352437 562655142 /nfs/dbraw/zinc/65/51/42/562655142.db2.gz UOMLSLXBNUUSBV-DWACAAAGSA-N 0 3 543.674 5.997 1 0 KKAFHN CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC[C@H]2CCOC2)CC1 ZINC000044358376 562655340 /nfs/dbraw/zinc/65/53/40/562655340.db2.gz VNZFZQBATSJITB-QFQXNSOFSA-N 0 3 546.539 5.108 1 0 KKAFHN CCN(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCNc1ccnc2cc(Cl)ccc21 ZINC000044360453 562655587 /nfs/dbraw/zinc/65/55/87/562655587.db2.gz UFVLATWPDKBUBF-UHFFFAOYSA-N 0 3 532.916 6.090 1 0 KKAFHN CSC1=N[C@@H](N2CCNCC2)c2c(nc3c(c2-c2ccc(Cl)cc2)CCCC3=Cc2ccc(Cl)cc2)N1 ZINC000044431674 562657895 /nfs/dbraw/zinc/65/78/95/562657895.db2.gz XCZILXVTMCCRHL-RUQSAVHZSA-N 0 3 550.559 6.790 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000045166959 562657965 /nfs/dbraw/zinc/65/79/65/562657965.db2.gz HLMMHUFTDWSTBP-VXKWHMMOSA-N 0 3 504.631 5.159 1 0 KKAFHN O=C(NCCN1CCCCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045168139 562658108 /nfs/dbraw/zinc/65/81/08/562658108.db2.gz IOPAODNPPCBEKQ-UHFFFAOYSA-N 0 3 508.626 5.972 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCc1ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc1)CC2 ZINC000045188252 562658276 /nfs/dbraw/zinc/65/82/76/562658276.db2.gz BAKDURGNRWNMOZ-UHFFFAOYSA-N 0 3 513.465 6.644 1 0 KKAFHN CC(C)c1ccc(NC(=O)N[C@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000045192754 562658652 /nfs/dbraw/zinc/65/86/52/562658652.db2.gz JHFJJZGSSWVLPV-DEZWEULXSA-N 0 3 531.528 6.313 1 0 KKAFHN FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)s3)[nH]c2c1 ZINC000045193131 562658684 /nfs/dbraw/zinc/65/86/84/562658684.db2.gz OZUMGQMUGXLLGC-UHFFFAOYSA-N 0 3 520.584 6.089 1 0 KKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045193374 562658722 /nfs/dbraw/zinc/65/87/22/562658722.db2.gz RCOGEQWOFOMWGG-PMERELPUSA-N 0 3 517.739 6.037 1 0 KKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(Br)cc1 ZINC000045226589 562659366 /nfs/dbraw/zinc/65/93/66/562659366.db2.gz UFDAUKUUJOMXCP-UHFFFAOYSA-N 0 3 512.879 6.063 1 0 KKAFHN O=S(=O)([N-]c1ccc(CCN2CCCC[C@@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045228385 562659543 /nfs/dbraw/zinc/65/95/43/562659543.db2.gz WSTUJTFZZOMUPK-SSEXGKCCSA-N 0 3 517.739 6.037 1 0 KKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045230306 562659623 /nfs/dbraw/zinc/65/96/23/562659623.db2.gz KOTJIIGMCRDILH-UHFFFAOYSA-N 0 3 519.645 6.043 1 0 KKAFHN COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ccncc3)CC2)c1 ZINC000045302310 562660574 /nfs/dbraw/zinc/66/05/74/562660574.db2.gz XMGUPSKDFHGNEE-UHFFFAOYSA-N 0 3 515.702 6.279 1 0 KKAFHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc1)CC2 ZINC000045302710 562660634 /nfs/dbraw/zinc/66/06/34/562660634.db2.gz UGZCENGMQDZDFY-XMMPIXPASA-N 0 3 522.571 5.613 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCOc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000045318791 562660916 /nfs/dbraw/zinc/66/09/16/562660916.db2.gz FLEFAPOLARGJQP-UMSFTDKQSA-N 0 3 544.759 5.647 1 0 KKAFHN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC000045322487 562661117 /nfs/dbraw/zinc/66/11/17/562661117.db2.gz RDFIGGYSNSLILV-QOEJBESESA-N 0 3 514.453 5.678 1 0 KKAFHN CC(C)(C)CCN1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045336855 562661416 /nfs/dbraw/zinc/66/14/16/562661416.db2.gz HAXRXMINOCSQGA-IDISGSTGSA-N 0 3 522.992 7.658 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 ZINC000045340185 562661594 /nfs/dbraw/zinc/66/15/94/562661594.db2.gz SSTLFVIKGGGGDX-PMERELPUSA-N 0 3 531.741 5.954 1 0 KKAFHN CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045372684 562662260 /nfs/dbraw/zinc/66/22/60/562662260.db2.gz GFLFHROFABIEBB-UHFFFAOYSA-N 0 3 529.681 5.759 1 0 KKAFHN Cc1cc2nc(N3CCCC[C@H]3CN(C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384722 562662312 /nfs/dbraw/zinc/66/23/12/562662312.db2.gz LKPKWKNXRZOSEF-DEOSSOPVSA-N 0 3 532.773 6.757 1 0 KKAFHN CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCN3CCCCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045385780 562662351 /nfs/dbraw/zinc/66/23/51/562662351.db2.gz OGQZOXPQWNPAQU-UHFFFAOYSA-N 0 3 529.681 5.759 1 0 KKAFHN COc1cc(O)cc(/C=C/C=C/C(=O)NCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000045391158 562662550 /nfs/dbraw/zinc/66/25/50/562662550.db2.gz LLWQMUABCICAJZ-BPNXTJCCSA-N 0 3 512.650 5.357 1 0 KKAFHN Cc1cc2nc(-c3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)s3)[nH]c2cc1Cl ZINC000048307306 562662921 /nfs/dbraw/zinc/66/29/21/562662921.db2.gz BJUIFCWJLWFBGQ-UHFFFAOYSA-N 0 3 528.509 5.849 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)c1 ZINC000048307333 562662929 /nfs/dbraw/zinc/66/29/29/562662929.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 0 3 546.202 6.547 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@H+]2CCCC[C@@H]2CCN2CCCC2)c1 ZINC000048307333 562662930 /nfs/dbraw/zinc/66/29/30/562662930.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 0 3 546.202 6.547 1 0 KKAFHN CCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016925 562663269 /nfs/dbraw/zinc/66/32/69/562663269.db2.gz XRWCFFSMTYOSBA-HHHXNRCGSA-N 0 3 509.735 5.944 1 0 KKAFHN CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049034129 562663467 /nfs/dbraw/zinc/66/34/67/562663467.db2.gz UCDXFDZZQRBDBU-NDEPHWFRSA-N 0 3 523.762 6.334 1 0 KKAFHN Cc1ccc(NC(=O)NC2CCN(CC[C@@H](NC(=O)Cc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049604989 562665154 /nfs/dbraw/zinc/66/51/54/562665154.db2.gz NMPGHMNIEPZGQE-MUUNZHRXSA-N 0 3 553.534 6.378 1 0 KKAFHN O=c1cc(NCC[C@H](CNCc2ccoc2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605184 562665428 /nfs/dbraw/zinc/66/54/28/562665428.db2.gz QHBVPWFGGHOXDI-OAQYLSRUSA-N 0 3 574.317 5.396 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCC3)CCO2)CC1 ZINC000049605177 562665448 /nfs/dbraw/zinc/66/54/48/562665448.db2.gz REQMUYNNDGAIKX-HKBQPEDESA-N 0 3 557.562 6.251 1 0 KKAFHN CC(C)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(CCCN3CCCCC3)cc21 ZINC000049605205 562665524 /nfs/dbraw/zinc/66/55/24/562665524.db2.gz UTHWDWZWJGROER-UHFFFAOYSA-N 0 3 743.861 9.606 1 0 KKAFHN O=C(COc1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049605208 562665533 /nfs/dbraw/zinc/66/55/33/562665533.db2.gz QMOYZQKOHFPPSJ-UHFFFAOYSA-N 0 3 576.352 6.205 1 0 KKAFHN COc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc3cc(C(=O)NCCN4CCCC4)cnc32)cc1Cl ZINC000049605432 562665839 /nfs/dbraw/zinc/66/58/39/562665839.db2.gz UHZICCREFBXCDA-UHFFFAOYSA-N 0 3 573.019 5.730 1 0 KKAFHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)o1)c1ccccc1 ZINC000049605476 562665906 /nfs/dbraw/zinc/66/59/06/562665906.db2.gz ZCBVZHNAVGSWGM-LJAQVGFWSA-N 0 3 545.643 6.685 1 0 KKAFHN O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000049605659 562666155 /nfs/dbraw/zinc/66/61/55/562666155.db2.gz ZSYUYCGOXXOFOB-FTJBHMTQSA-N 0 3 548.609 5.977 1 0 KKAFHN Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)N(C)[C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625763 562666856 /nfs/dbraw/zinc/66/68/56/562666856.db2.gz DUQMUJILNSLNGH-NHCUHLMSSA-N 0 3 535.648 6.548 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)c(C)c1CCc1cccc(F)c1F ZINC000049626489 562667234 /nfs/dbraw/zinc/66/72/34/562667234.db2.gz BNYXBJDQBFNQBR-UHFFFAOYSA-N 0 3 689.769 8.430 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626696 562667336 /nfs/dbraw/zinc/66/73/36/562667336.db2.gz HARNRRIHMFGUGB-UHFFFAOYSA-N 0 3 701.780 8.652 1 0 KKAFHN CCc1c(C(=O)NCCCCCCCNc2c3ccccc3nc3c2CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000049680272 562669129 /nfs/dbraw/zinc/66/91/29/562669129.db2.gz IBNHPFJFQUFNTI-UHFFFAOYSA-N 0 3 654.686 9.628 1 0 KKAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CCCN(C(=O)OCc2ccccc2)C1 ZINC000049694386 562669287 /nfs/dbraw/zinc/66/92/87/562669287.db2.gz AYXDUHYECACATH-UKAHRKLESA-N 0 3 607.742 5.588 1 0 KKAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(c2cccc(C(C)(C)C)c2)CCCN(C(=O)OCc2ccccc2)C1 ZINC000049694385 562669289 /nfs/dbraw/zinc/66/92/89/562669289.db2.gz AYXDUHYECACATH-GTXBZULCSA-N 0 3 607.742 5.588 1 0 KKAFHN CC(=O)N(C)C1CCN(CC[C@@](C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049694408 562669343 /nfs/dbraw/zinc/66/93/43/562669343.db2.gz JMEKLKBPAWJBOV-HHHXNRCGSA-N 0 3 590.489 6.400 1 0 KKAFHN FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1Cc1ccccc1)c2N1CCN(C2CCCCC2)CC1 ZINC000049694636 562669604 /nfs/dbraw/zinc/66/96/04/562669604.db2.gz RWXVYCAUKCECQA-UHFFFAOYSA-N 0 3 552.670 6.304 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccc(F)c(F)c1 ZINC000049710590 562671720 /nfs/dbraw/zinc/67/17/20/562671720.db2.gz IJDVSSJBVDNPSE-UHFFFAOYSA-N 0 3 676.730 7.516 1 0 KKAFHN Cc1c(O)cccc1C(=O)N[C@@H](c1cc(-c2ccccc2)cs1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049710664 562671772 /nfs/dbraw/zinc/67/17/72/562671772.db2.gz IUZKQAXAXQCTOI-OPYHXEAWSA-N 0 3 603.829 6.057 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049710621 562671790 /nfs/dbraw/zinc/67/17/90/562671790.db2.gz ZMVCAJKVXCNHHG-YRNVUSSQSA-N 0 3 569.936 6.716 1 0 KKAFHN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710919 562671890 /nfs/dbraw/zinc/67/18/90/562671890.db2.gz WZXINJTXKIEZPD-ILWGZMRPSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722556 562672170 /nfs/dbraw/zinc/67/21/70/562672170.db2.gz ZTGKKBRUYNYCNY-IPMKNSEASA-N 0 3 572.364 6.586 1 0 KKAFHN CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049722632 562672258 /nfs/dbraw/zinc/67/22/58/562672258.db2.gz FBYJXPYJJZCAHS-IOWSJCHKSA-N 0 3 660.803 5.683 1 0 KKAFHN CN(c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000049722979 562672778 /nfs/dbraw/zinc/67/27/78/562672778.db2.gz YBQZMWGBFSNDPL-UHFFFAOYSA-N 0 3 548.072 5.816 1 0 KKAFHN COc1ccc(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CCC(N4CCc5ccccc5C4)CC3)n2)cc1 ZINC000049723262 562673147 /nfs/dbraw/zinc/67/31/47/562673147.db2.gz WRERHOVISNDAOC-UHFFFAOYSA-N 0 3 553.732 5.513 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744870 562673522 /nfs/dbraw/zinc/67/35/22/562673522.db2.gz LQKSVBWVXREMMV-ZCNNSNEGSA-N 0 3 555.909 6.072 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744873 562673571 /nfs/dbraw/zinc/67/35/71/562673571.db2.gz LQKSVBWVXREMMV-SLFFLAALSA-N 0 3 555.909 6.072 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049744991 562673599 /nfs/dbraw/zinc/67/35/99/562673599.db2.gz DVIHZVCGTLUNKJ-MSEJLTFDSA-N 0 3 619.766 5.167 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049744993 562673617 /nfs/dbraw/zinc/67/36/17/562673617.db2.gz DVIHZVCGTLUNKJ-JUKUECOXSA-N 0 3 619.766 5.167 1 0 KKAFHN Cc1cc(CNC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)oc1C ZINC000049745701 562673994 /nfs/dbraw/zinc/67/39/94/562673994.db2.gz RSQLXGHJDNEGTM-QFIPXVFZSA-N 0 3 602.371 6.013 1 0 KKAFHN Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)c2ccc(CN(C)C)cc2)c1Cl ZINC000049745703 562674032 /nfs/dbraw/zinc/67/40/32/562674032.db2.gz ICZJRPNFYSRRMY-UHFFFAOYSA-N 0 3 570.995 7.991 1 0 KKAFHN Cc1ccc(C)c(C(=O)C[C@H](NCCCCCCCCN[C@@H](CC(=O)c2cc(C)ccc2C)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000049746150 562674298 /nfs/dbraw/zinc/67/42/98/562674298.db2.gz UTCQLOUOUVXDCL-ZAQUEYBZSA-N 0 3 702.940 8.300 1 0 KKAFHN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756118 562674858 /nfs/dbraw/zinc/67/48/58/562674858.db2.gz OHKVKGLOZBILIN-ZCNNSNEGSA-N 0 3 589.461 6.437 1 0 KKAFHN O=C1c2cc(OCCN3CCCCC3)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCCN2CCCCC2)cc1 ZINC000049756224 562674905 /nfs/dbraw/zinc/67/49/05/562674905.db2.gz QHUWGZJPOSFFGQ-UHFFFAOYSA-N 0 3 579.716 6.982 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000049757144 562675606 /nfs/dbraw/zinc/67/56/06/562675606.db2.gz SRNHAKVSFVSSPN-UHFFFAOYSA-N 0 3 575.138 6.328 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000049757284 562675842 /nfs/dbraw/zinc/67/58/42/562675842.db2.gz CVMUHXWSBHMVGZ-UHFFFAOYSA-N 0 3 541.677 5.724 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000049757502 562676061 /nfs/dbraw/zinc/67/60/61/562676061.db2.gz SSHDKAJDJAVHAF-UHFFFAOYSA-N 0 3 554.720 5.983 1 0 KKAFHN CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049777365 562679969 /nfs/dbraw/zinc/67/99/69/562679969.db2.gz ICNXLCSJEDSWTK-CLJLJLNGSA-N 0 3 593.775 5.297 1 0 KKAFHN CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@H](C(C)(C)N3CCCCC3=O)C2)c1 ZINC000049777770 562680518 /nfs/dbraw/zinc/68/05/18/562680518.db2.gz MFPZDLDVZIAMTN-ZLESDFJESA-N 0 3 561.811 5.586 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)c1 ZINC000049780520 562681855 /nfs/dbraw/zinc/68/18/55/562681855.db2.gz WPTWZXCEIGAYME-UHFFFAOYSA-N 0 3 552.600 8.477 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781110 562682685 /nfs/dbraw/zinc/68/26/85/562682685.db2.gz FLBRXCIMTTVIKZ-SANMLTNESA-N 0 3 618.045 7.464 1 0 KKAFHN COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781407 562683041 /nfs/dbraw/zinc/68/30/41/562683041.db2.gz PQAFUDFHGAKJHZ-AREMUKBSSA-N 0 3 666.517 8.508 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4cccc5c(OC)cc(C(F)(F)F)nc54)CC3)CC2)c1 ZINC000049783850 562683256 /nfs/dbraw/zinc/68/32/56/562683256.db2.gz PIUQVNKFONMZAS-UHFFFAOYSA-N 0 3 551.613 5.610 1 0 KKAFHN O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4c3cccc4F)CC2)CC1 ZINC000049872502 562690097 /nfs/dbraw/zinc/69/00/97/562690097.db2.gz GVLDTEKPXVTOGI-UHFFFAOYSA-N 0 3 537.583 5.414 1 0 KKAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049898415 562692532 /nfs/dbraw/zinc/69/25/32/562692532.db2.gz LLLMQELQQHOHOI-UHFFFAOYSA-N 0 3 667.295 5.276 1 0 KKAFHN COC(=O)CCCN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049899532 562693206 /nfs/dbraw/zinc/69/32/06/562693206.db2.gz FRLGCDYZXBVROR-SANMLTNESA-N 0 3 645.625 5.623 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)C(=O)c2cc(F)cc(F)c2)CC1 ZINC000049917518 562693503 /nfs/dbraw/zinc/69/35/03/562693503.db2.gz GGPVPOJNVVFVIE-UHFFFAOYSA-N 0 3 589.756 5.658 1 0 KKAFHN COc1c2ccccc2c(OC)c(OC)c1CNCCCCCCNCc1c(OC)c2ccccc2c(OC)c1OC ZINC000049917580 562693667 /nfs/dbraw/zinc/69/36/67/562693667.db2.gz JDBTULQQBFOXOS-UHFFFAOYSA-N 0 3 576.734 6.484 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049917733 562693793 /nfs/dbraw/zinc/69/37/93/562693793.db2.gz DWBLHACNFWYUBD-XIFFEERXSA-N 0 3 600.631 6.926 1 0 KKAFHN CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917761 562693846 /nfs/dbraw/zinc/69/38/46/562693846.db2.gz ZHDSIQJTAMFWOD-VQJSHJPSSA-N 0 3 726.943 6.848 1 0 KKAFHN CN1CCN(CCCN(Cc2cccc(-c3ccc(CNCc4ccc5c(c4)OCO5)cc3)c2)C(=O)CCC2CCCC2)CC1 ZINC000049917770 562693913 /nfs/dbraw/zinc/69/39/13/562693913.db2.gz OMUHZIONTWVASY-UHFFFAOYSA-N 0 3 610.843 6.309 1 0 KKAFHN O=C(Cc1ccccc1)N[C@H](CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049917806 562693933 /nfs/dbraw/zinc/69/39/33/562693933.db2.gz HFCMAYCVLYRNFC-AREMUKBSSA-N 0 3 565.463 6.786 1 0 KKAFHN C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)N1 ZINC000049917860 562694010 /nfs/dbraw/zinc/69/40/10/562694010.db2.gz GRBGQMNUHSAYID-OYRHEFFESA-N 0 3 577.655 5.716 1 0 KKAFHN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917959 562694169 /nfs/dbraw/zinc/69/41/69/562694169.db2.gz AGLUKBSNZHMNNX-SLFFLAALSA-N 0 3 572.364 6.586 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)s3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049918120 562694517 /nfs/dbraw/zinc/69/45/17/562694517.db2.gz PQMBOZXOHCFYEH-UHFFFAOYSA-N 0 3 694.770 7.720 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049918171 562694547 /nfs/dbraw/zinc/69/45/47/562694547.db2.gz ZEYBBWQWHRXRPF-UHFFFAOYSA-N 0 3 678.702 7.252 1 0 KKAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000049918168 562694583 /nfs/dbraw/zinc/69/45/83/562694583.db2.gz NHTZOQCLJPHAOS-IGYGKHONSA-N 0 3 582.745 5.093 1 0 KKAFHN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)OCCCN3CCc4ccccc4C3)CC2)c2ccccc12 ZINC000049942503 562695550 /nfs/dbraw/zinc/69/55/50/562695550.db2.gz NBPJPRSOJNEFIA-UHFFFAOYSA-N 0 3 640.806 5.728 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 ZINC000053006858 562696066 /nfs/dbraw/zinc/69/60/66/562696066.db2.gz ZQQZHUBFRBFZEF-UHFFFAOYSA-N 0 3 516.469 5.510 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053246968 562696895 /nfs/dbraw/zinc/69/68/95/562696895.db2.gz YUIPQNKGKYTLSD-PMERELPUSA-N 0 3 531.741 5.954 1 0 KKAFHN COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000053294586 562697257 /nfs/dbraw/zinc/69/72/57/562697257.db2.gz UBWCMWMCMLDEKJ-VWLOTQADSA-N 0 3 516.604 5.551 1 0 KKAFHN CC(C)N(Cc1ccccc1)c1ccc(N2CCN(CC[C@H](NC(=O)C3CCCCC3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000053294691 562697304 /nfs/dbraw/zinc/69/73/04/562697304.db2.gz NXOZYOOITBBZJZ-DHUJRADRSA-N 0 3 620.804 8.070 1 0 KKAFHN CCS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000058468457 562697945 /nfs/dbraw/zinc/69/79/45/562697945.db2.gz JDPTZHWBCXFTAC-AJQTZOPKSA-N 0 3 703.805 5.089 1 0 KKAFHN COC(=O)N[C@H](C(=O)N[C@@H](CCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(C)C)C(c1ccccc1)c1ccccc1 ZINC000058548196 562699086 /nfs/dbraw/zinc/69/90/86/562699086.db2.gz BOBYKSZVANUESB-YXSDWHQUSA-N 0 3 680.912 5.534 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 ZINC000058575408 562699605 /nfs/dbraw/zinc/69/96/05/562699605.db2.gz KZBCLNJIBNVXHE-HSZRJFAPSA-N 0 3 593.979 6.378 1 0 KKAFHN O=C(NCCN1CCCC1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058575584 562699620 /nfs/dbraw/zinc/69/96/20/562699620.db2.gz HERFSFFCWPWNME-UHFFFAOYSA-N 0 3 509.441 5.141 1 0 KKAFHN C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000058614547 562701071 /nfs/dbraw/zinc/70/10/71/562701071.db2.gz ZDEXTHTTXHQRPJ-TZJDENGASA-N 0 3 675.679 5.220 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(Cc2cccs2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058660970 562701447 /nfs/dbraw/zinc/70/14/47/562701447.db2.gz ADEJRCDYIZQEHV-GOTSBHOMSA-N 0 3 551.043 5.017 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000059686606 562702130 /nfs/dbraw/zinc/70/21/30/562702130.db2.gz IPQMMHOXXCGSDM-BDTNDASRSA-N 0 3 571.471 6.298 1 0 KKAFHN COc1cc(CN2CCC(C(=O)N[C@@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)cc(OC)c1 ZINC000061895996 562702923 /nfs/dbraw/zinc/70/29/23/562702923.db2.gz GNNAJSXRDKRKNV-HKBQPEDESA-N 0 3 522.649 5.279 3 0 KKAFHN O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000061926355 562703592 /nfs/dbraw/zinc/70/35/92/562703592.db2.gz UPQOUOPNAPNOAC-WJOKGBTCSA-N 0 3 504.609 6.040 3 0 KKAFHN CCN(CCN(C)C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)c1 ZINC000063540261 562704520 /nfs/dbraw/zinc/70/45/20/562704520.db2.gz SNPDDTDGUJYLJZ-UHFFFAOYSA-N 0 3 526.685 5.991 1 0 KKAFHN Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2CCN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513189 562706340 /nfs/dbraw/zinc/70/63/40/562706340.db2.gz MCMTZESNVUUXPH-WBJKNQCFSA-N 0 3 638.247 7.285 1 0 KKAFHN FC(F)(F)c1ccc2c(c1)nccc2NCCCN1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000064527797 562707175 /nfs/dbraw/zinc/70/71/75/562707175.db2.gz NOFVUSFDHWXYEF-UHFFFAOYSA-N 0 3 533.520 6.445 1 0 KKAFHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NC1CCN(CCN2CCOCC2)CC1 ZINC000064528132 562707248 /nfs/dbraw/zinc/70/72/48/562707248.db2.gz BUANBTMUMFMMJA-UHFFFAOYSA-N 0 3 637.829 5.802 1 0 KKAFHN CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000066076357 562710115 /nfs/dbraw/zinc/71/01/15/562710115.db2.gz NMXCKSABIWYQPI-NDEPHWFRSA-N 0 3 597.566 6.749 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066098897 562711011 /nfs/dbraw/zinc/71/10/11/562711011.db2.gz OISSAGDOBVXRAL-YTTGMZPUSA-N 0 3 592.788 5.610 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCC2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103537 562711538 /nfs/dbraw/zinc/71/15/38/562711538.db2.gz PYXSQEBHAOBWDL-ONNKAKFGSA-N 0 3 566.624 6.026 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000066156382 562713740 /nfs/dbraw/zinc/71/37/40/562713740.db2.gz ZBSMIXMEGWTGMY-KTYLLXISSA-N 0 3 583.773 6.225 3 0 KKAFHN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157532 562713967 /nfs/dbraw/zinc/71/39/67/562713967.db2.gz FKRJWSOOMWTJEG-CWHUZLPRSA-N 0 3 629.806 5.002 1 0 KKAFHN CN(C[C@H]1CCCCN1C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066252069 562714616 /nfs/dbraw/zinc/71/46/16/562714616.db2.gz JYLAXWCUPMUZAQ-OAQYLSRUSA-N 0 3 593.620 6.179 1 0 KKAFHN COc1ccc(CNCc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1 ZINC000066252394 562714757 /nfs/dbraw/zinc/71/47/57/562714757.db2.gz YPQMJUGTEBCYES-UHFFFAOYSA-N 0 3 577.772 6.251 1 0 KKAFHN CCC(CC)N1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260050 562715408 /nfs/dbraw/zinc/71/54/08/562715408.db2.gz ICSWMFYHORSGPO-UHFFFAOYSA-N 0 3 607.647 6.569 1 0 KKAFHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066262267 562715479 /nfs/dbraw/zinc/71/54/79/562715479.db2.gz SEZQQEOTFXNKOX-UHFFFAOYSA-N 0 3 521.957 7.442 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 562715686 /nfs/dbraw/zinc/71/56/86/562715686.db2.gz JJAGNYYMNCBVTP-FITHBNAOSA-N 0 3 679.809 6.566 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 562715687 /nfs/dbraw/zinc/71/56/87/562715687.db2.gz JJAGNYYMNCBVTP-FITHBNAOSA-N 0 3 679.809 6.566 1 0 KKAFHN COc1ccccc1CN(C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(C(C)C)SC[C@@]41C ZINC000071294820 562716974 /nfs/dbraw/zinc/71/69/74/562716974.db2.gz BSACLFCWNMRHBP-DRFRAUJUSA-N 0 3 606.917 7.254 1 0 KKAFHN COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(C(C)C)SC[C@@]52C)c1 ZINC000071296162 562717424 /nfs/dbraw/zinc/71/74/24/562717424.db2.gz MNADYPWSJDDNJK-SGOUQRLHSA-N 0 3 606.917 7.254 1 0 KKAFHN CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072104688 562720567 /nfs/dbraw/zinc/72/05/67/562720567.db2.gz ZEOYBQVWWGPAIM-UHFFFAOYSA-N 0 3 587.634 6.720 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6cccc(Cl)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112493 562722101 /nfs/dbraw/zinc/72/21/01/562722101.db2.gz BCEAWUNNSAUBOB-IBFSNEKNSA-N 0 3 513.166 5.801 1 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCCNc2c3c(nc4ccccc42)-c2ccccc2C3)CCCC1 ZINC000072113149 562722283 /nfs/dbraw/zinc/72/22/83/562722283.db2.gz ASEDWXNMPGNYLM-UHFFFAOYSA-N 0 3 561.173 9.361 1 0 KKAFHN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CCN2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114808 562722817 /nfs/dbraw/zinc/72/28/17/562722817.db2.gz DKXHFFZMSYMRIM-ZWXJPIIXSA-N 0 3 609.598 6.498 1 0 KKAFHN Cc1nn(-c2ccc(C(=O)N[C@@H]3CCOc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2c(Cl)cccc12 ZINC000072125997 562725258 /nfs/dbraw/zinc/72/52/58/562725258.db2.gz NQRUBKWGBPZKBW-HHHXNRCGSA-N 0 3 543.067 5.587 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127670 562725782 /nfs/dbraw/zinc/72/57/82/562725782.db2.gz XLLCULDIIKOUKO-ZYADHFCISA-N 0 3 676.053 6.857 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127719 562725826 /nfs/dbraw/zinc/72/58/26/562725826.db2.gz URKCJPXHIQHWTQ-WISKXVKBSA-N 0 3 728.041 6.074 3 0 KKAFHN COc1cc(/C=C/CN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)ccc1OC(C)=O ZINC000072127860 562725942 /nfs/dbraw/zinc/72/59/42/562725942.db2.gz UOLSADPZLIMASE-YCAKICQOSA-N 0 3 567.661 5.939 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072137720 562728355 /nfs/dbraw/zinc/72/83/55/562728355.db2.gz INQGVWVTBPOLPM-BBACVFHCSA-N 0 3 662.026 6.467 3 0 KKAFHN COc1cc(OC)c2c(c1[C@H](CCN1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000072151431 562730101 /nfs/dbraw/zinc/73/01/01/562730101.db2.gz MWIOXPKQVFBCTI-KKLWWLSJSA-N 0 3 648.848 6.621 1 0 KKAFHN COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155026 562730148 /nfs/dbraw/zinc/73/01/48/562730148.db2.gz IOCCJLLQYQBDKI-FIRIVFDPSA-N 0 3 682.814 6.523 3 0 KKAFHN COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155024 562730162 /nfs/dbraw/zinc/73/01/62/562730162.db2.gz IOCCJLLQYQBDKI-IOWSJCHKSA-N 0 3 682.814 6.523 3 0 KKAFHN COc1cc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000072180704 562732576 /nfs/dbraw/zinc/73/25/76/562732576.db2.gz UYZOQRYBMNNSOM-BQYQJAHWSA-N 0 3 744.842 5.393 1 0 KKAFHN COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCN1CCCCC1 ZINC000072181293 562732712 /nfs/dbraw/zinc/73/27/12/562732712.db2.gz QPBHVADABCSTRU-UHFFFAOYSA-N 0 3 560.655 6.225 1 0 KKAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]12c1ccc(Cl)cc1NC2=O ZINC000072316544 562733108 /nfs/dbraw/zinc/73/31/08/562733108.db2.gz KALNCVZAFDQICX-AMKZZFPWSA-N 0 3 583.491 5.620 1 0 in-vitro KKAFHN COc1cc2c(cc1OCCCN1CCN(CCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317208 562733184 /nfs/dbraw/zinc/73/31/84/562733184.db2.gz PWWXJRATTSECRZ-SANMLTNESA-N 0 3 579.745 5.600 1 0 KKAFHN CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O ZINC000073157008 562733859 /nfs/dbraw/zinc/73/38/59/562733859.db2.gz GUUJUIXBOCRPLX-ZKZCUZKLSA-N 0 3 603.754 5.108 1 0 KKAFHN C[C@H](Nc1cc(N2CCC[C@H](N3CCc4c(cccc4-c4cccnc4)C3)C2)ncn1)c1ccc(Cl)cc1 ZINC000073198247 562735615 /nfs/dbraw/zinc/73/56/15/562735615.db2.gz FJAVFDVEPOTXLF-CUNXSJBXSA-N 0 3 525.100 6.392 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(Cl)c2)c2ccc(Br)cc2)CC1 ZINC000073198192 562735619 /nfs/dbraw/zinc/73/56/19/562735619.db2.gz WOERJSXSTHFFHD-IBGZPJMESA-N 0 3 624.838 7.484 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)ccc4c3=O)CC2)c1 ZINC000073220713 562736247 /nfs/dbraw/zinc/73/62/47/562736247.db2.gz KTRCYCJPMDYGHD-UHFFFAOYSA-N 0 3 549.502 6.598 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000073224333 562736654 /nfs/dbraw/zinc/73/66/54/562736654.db2.gz YKQYCTMUTTZAIB-SANMLTNESA-N 0 3 502.018 5.260 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)c(Cl)cc4c3=O)CC2)c1 ZINC000073224501 562736703 /nfs/dbraw/zinc/73/67/03/562736703.db2.gz FQAOMFUPBGQHTA-UHFFFAOYSA-N 0 3 583.947 7.252 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000073369117 562738352 /nfs/dbraw/zinc/73/83/52/562738352.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 0 3 606.719 6.874 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc(C[C@@H]4NC(=O)/C(=C/c5ccccc5)N(C)C4=O)c3)cc1)CC2 ZINC000084394971 562742950 /nfs/dbraw/zinc/74/29/50/562742950.db2.gz ZSZGNRWAEFDRES-YWBLTOQVSA-N 0 3 644.772 5.097 1 0 KKAFHN Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084616487 562744603 /nfs/dbraw/zinc/74/46/03/562744603.db2.gz NPXGBPQLUUMPJK-XIFFEERXSA-N 0 3 604.755 6.394 1 0 KKAFHN CCCCCC[C@@H](CN1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084652122 562746402 /nfs/dbraw/zinc/74/64/02/562746402.db2.gz LOLZEDSJRXPDOV-SANMLTNESA-N 0 3 501.067 6.096 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084709052 562750280 /nfs/dbraw/zinc/75/02/80/562750280.db2.gz YCRNUCBVYJRPTD-YTTGMZPUSA-N 0 3 563.061 6.364 1 0 KKAFHN COc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710036 562750424 /nfs/dbraw/zinc/75/04/24/562750424.db2.gz LUVGQMIABQYOSC-MGBGTMOVSA-N 0 3 558.642 5.719 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4cnc(-c5ccccc5)nc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710699 562750572 /nfs/dbraw/zinc/75/05/72/562750572.db2.gz HANUVWPRANRHOJ-JGCGQSQUSA-N 0 3 563.061 6.364 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4cnc(-c5ccccc5)nc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710701 562750589 /nfs/dbraw/zinc/75/05/89/562750589.db2.gz HANUVWPRANRHOJ-YTTGMZPUSA-N 0 3 563.061 6.364 1 0 KKAFHN CN(C)CCOc1ccc(-c2oc3ncnc(NCC4SCCCS4)c3c2-c2ccccc2)cc1 ZINC000084730214 562751620 /nfs/dbraw/zinc/75/16/20/562751620.db2.gz SIVPBZNKCSZTPW-UHFFFAOYSA-N 0 3 506.697 6.105 1 0 KKAFHN CCN(C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1 ZINC000095538113 562754492 /nfs/dbraw/zinc/75/44/92/562754492.db2.gz CSWTXNVAULACPE-QPPIDDCLSA-N 0 3 806.023 8.455 1 0 KKAFHN CCN(CC)C[C@@H]1S[C@@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540206 562755572 /nfs/dbraw/zinc/75/55/72/562755572.db2.gz KVUNLHHSMXAIAJ-YTWZBVJHSA-N 0 3 761.540 7.207 1 0 KKAFHN O=C(Nc1ccc2[nH]cc(C3CCN(C[C@@H](N4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1 ZINC000095540639 562755882 /nfs/dbraw/zinc/75/58/82/562755882.db2.gz GMPLQRYRDNTYBI-RRHRGVEJSA-N 0 3 768.831 9.422 1 0 KKAFHN O=C(N[C@@H]1CCCC[C@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550056 562759903 /nfs/dbraw/zinc/75/99/03/562759903.db2.gz RFKDBORJIKLFCM-KDQUBTEHSA-N 0 3 767.030 9.005 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553372 562760931 /nfs/dbraw/zinc/76/09/31/562760931.db2.gz ATLHHAOOYRUXSA-UNOODAFMSA-N 0 3 801.053 6.126 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)NCc1ccc(OC)cc1 ZINC000095555134 562761491 /nfs/dbraw/zinc/76/14/91/562761491.db2.gz QATULURJPCDVNM-JKENOGCRSA-N 0 3 659.893 6.739 1 0 KKAFHN O=c1cc(-c2ccc(OCCOCCN(CCCc3ccccc3)CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12 ZINC000095556632 562761833 /nfs/dbraw/zinc/76/18/33/562761833.db2.gz VFCZLZDVMXWVIQ-UHFFFAOYSA-N 0 3 751.876 8.659 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095565122 562764568 /nfs/dbraw/zinc/76/45/68/562764568.db2.gz GQPLODGYDYCVNT-LPBFERMMSA-N 0 3 650.625 5.084 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095565510 562764653 /nfs/dbraw/zinc/76/46/53/562764653.db2.gz QZVOXXCTPHCQDU-GNMOFYLKSA-N 0 3 575.672 5.576 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(-c3ccccc3)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095566721 562765190 /nfs/dbraw/zinc/76/51/90/562765190.db2.gz KVYAACMVUJNJTK-INEJIFKHSA-N 0 3 611.743 5.955 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095567001 562765447 /nfs/dbraw/zinc/76/54/47/562765447.db2.gz BWUBMXZZYOWTMV-MWXNICTNSA-N 0 3 628.692 5.639 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567031 562765451 /nfs/dbraw/zinc/76/54/51/562765451.db2.gz DEMCBGNJFOTASI-WAPJKPAKSA-N 0 3 638.589 5.214 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095567310 562765693 /nfs/dbraw/zinc/76/56/93/562765693.db2.gz HOBLGNRWGMWRGX-SUERDDPBSA-N 0 3 789.971 6.389 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095568014 562766249 /nfs/dbraw/zinc/76/62/49/562766249.db2.gz LMVYLEREBXGKHC-DXZWXPFGSA-N 0 3 652.792 6.413 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568405 562766648 /nfs/dbraw/zinc/76/66/48/562766648.db2.gz CDIQXANOTLSTIU-SUGNLBTMSA-N 0 3 714.867 6.599 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568560 562766766 /nfs/dbraw/zinc/76/67/66/562766766.db2.gz DEMCBGNJFOTASI-LNIFMVABSA-N 0 3 638.589 5.214 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568782 562766903 /nfs/dbraw/zinc/76/69/03/562766903.db2.gz CMNGXMPORQTCON-IWITZMJESA-N 0 3 629.802 5.149 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568835 562766945 /nfs/dbraw/zinc/76/69/45/562766945.db2.gz GFBGNCUTLBGSKQ-AWYDNWMNSA-N 0 3 690.763 7.423 1 0 KKAFHN CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570329 562768101 /nfs/dbraw/zinc/76/81/01/562768101.db2.gz SRAYVMPNBAVWRU-WISKXVKBSA-N 0 3 646.027 6.761 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095570513 562768254 /nfs/dbraw/zinc/76/82/54/562768254.db2.gz ACSVFUACEODJDN-PNRGXICFSA-N 0 3 594.712 5.478 3 0 KKAFHN Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570630 562768304 /nfs/dbraw/zinc/76/83/04/562768304.db2.gz GJHPJKJHWVCAHT-QRIZJJBVSA-N 0 3 704.022 6.326 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095570792 562768495 /nfs/dbraw/zinc/76/84/95/562768495.db2.gz IQSVNIDGIMJPQN-BCIXQDHQSA-N 0 3 592.740 5.282 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570843 562768560 /nfs/dbraw/zinc/76/85/60/562768560.db2.gz VYACBIYDVUCBDQ-BCRFLOQVSA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570843 562768561 /nfs/dbraw/zinc/76/85/61/562768561.db2.gz VYACBIYDVUCBDQ-BCRFLOQVSA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095570994 562768685 /nfs/dbraw/zinc/76/86/85/562768685.db2.gz UUCMFHNJLLHFQV-AHYUKCMYSA-N 0 3 598.788 6.160 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571086 562768802 /nfs/dbraw/zinc/76/88/02/562768802.db2.gz MLZGHAQZJXEDIV-XUJRGEPCSA-N 0 3 636.793 6.287 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571122 562768806 /nfs/dbraw/zinc/76/88/06/562768806.db2.gz GDLSESYYEZMWDL-UNTHUGQZSA-N 0 3 697.799 6.167 1 0 KKAFHN CC(C)(C)OC(=O)NCCCC[C@H](N[C@@H](CNC(=O)Nc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095574733 562770058 /nfs/dbraw/zinc/77/00/58/562770058.db2.gz ZMRCDWJQJXPIGX-IHLOFXLRSA-N 0 3 587.765 5.389 1 0 KKAFHN C[C@@H]1CN(c2ccc3c(c2)nccc3Nc2ccc(Cl)c(-c3nc(-c4ccccc4)c[nH]3)c2)C[C@H](C)O1 ZINC000095577835 562771120 /nfs/dbraw/zinc/77/11/20/562771120.db2.gz ISCMIYUTBPBNHO-BGYRXZFFSA-N 0 3 510.041 7.303 1 0 KKAFHN O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)OCCN2CCCC2)c1 ZINC000095577938 562771136 /nfs/dbraw/zinc/77/11/36/562771136.db2.gz WSDGIHRCGHPEKH-GXDHUFHOSA-N 0 3 514.666 5.938 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)ccc2[O-])c1 ZINC000095584777 562773399 /nfs/dbraw/zinc/77/33/99/562773399.db2.gz GXQJIWCVRRDOHO-UHFFFAOYSA-N 0 3 514.578 5.208 1 0 KKAFHN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1 ZINC000095586602 562774075 /nfs/dbraw/zinc/77/40/75/562774075.db2.gz ROCCFZLSXKWBAZ-UHFFFAOYSA-N 0 3 639.287 11.417 1 0 KKAFHN CCC[S@@](=O)c1csc2cc(-c3[nH]c(-c4ccc(OCCN(C)C)cc4)nc3-c3ccncc3)ccc21 ZINC000095588279 562774594 /nfs/dbraw/zinc/77/45/94/562774594.db2.gz WKLVMJVNYVQWTB-QNGWXLTQSA-N 0 3 530.719 6.478 1 0 KKAFHN CCC[S@@](=O)c1csc2cc(-c3nc(-c4ccc(OCCN(C)C)cc4)[nH]c3-c3ccncc3)ccc21 ZINC000095588279 562774595 /nfs/dbraw/zinc/77/45/95/562774595.db2.gz WKLVMJVNYVQWTB-QNGWXLTQSA-N 0 3 530.719 6.478 1 0 KKAFHN CCCSc1csc2cc(-c3[nH]c(-c4ccc(OCCN(C)C)cc4)nc3-c3ccncc3)ccc12 ZINC000095589272 562774882 /nfs/dbraw/zinc/77/48/82/562774882.db2.gz NLYBWVPTNPCBDH-UHFFFAOYSA-N 0 3 514.720 7.463 1 0 KKAFHN CCCSc1csc2cc(-c3nc(-c4ccc(OCCN(C)C)cc4)[nH]c3-c3ccncc3)ccc12 ZINC000095589272 562774883 /nfs/dbraw/zinc/77/48/83/562774883.db2.gz NLYBWVPTNPCBDH-UHFFFAOYSA-N 0 3 514.720 7.463 1 0 KKAFHN CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCCC4)c(N)n3)nn2)cc1 ZINC000095589162 562774894 /nfs/dbraw/zinc/77/48/94/562774894.db2.gz MZHFHZMUOSTAAK-UHFFFAOYSA-N 0 3 519.738 5.680 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598882 562777634 /nfs/dbraw/zinc/77/76/34/562777634.db2.gz QMCFBRPLMVFDBX-GJWZSCNASA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598882 562777635 /nfs/dbraw/zinc/77/76/35/562777635.db2.gz QMCFBRPLMVFDBX-GJWZSCNASA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095598862 562777652 /nfs/dbraw/zinc/77/76/52/562777652.db2.gz CCYKTEMVMBOJBS-BRUQSJHLSA-N 0 3 601.744 5.196 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599280 562777918 /nfs/dbraw/zinc/77/79/18/562777918.db2.gz LFZLAWVTNRSJHJ-BYIYZAFRSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599622 562778212 /nfs/dbraw/zinc/77/82/12/562778212.db2.gz QMCFBRPLMVFDBX-CZWSTMTISA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599622 562778213 /nfs/dbraw/zinc/77/82/13/562778213.db2.gz QMCFBRPLMVFDBX-CZWSTMTISA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095600143 562778633 /nfs/dbraw/zinc/77/86/33/562778633.db2.gz QZVOXXCTPHCQDU-FYQCMVGJSA-N 0 3 575.672 5.576 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600090 562778652 /nfs/dbraw/zinc/77/86/52/562778652.db2.gz ZBBNPLMVFVREHD-IQRSPBMWSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600090 562778653 /nfs/dbraw/zinc/77/86/53/562778653.db2.gz ZBBNPLMVFVREHD-IQRSPBMWSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095600573 562779060 /nfs/dbraw/zinc/77/90/60/562779060.db2.gz KVYNYDNSHYPGTF-IAYPMUAMSA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600641 562779128 /nfs/dbraw/zinc/77/91/28/562779128.db2.gz NNHYDAJISGOSNF-BNJCFXFUSA-N 0 3 654.151 5.441 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600641 562779129 /nfs/dbraw/zinc/77/91/29/562779129.db2.gz NNHYDAJISGOSNF-BNJCFXFUSA-N 0 3 654.151 5.441 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095603775 562780717 /nfs/dbraw/zinc/78/07/17/562780717.db2.gz MDVGURPVGABTFV-KVSUUNMHSA-N 0 3 610.711 5.565 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604541 562781024 /nfs/dbraw/zinc/78/10/24/562781024.db2.gz WOMGVMCAFXSGAU-ZQWQDMLBSA-N 0 3 696.043 6.663 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604567 562781072 /nfs/dbraw/zinc/78/10/72/562781072.db2.gz UIKXZKCHSBRXDR-NSWWAWACSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604567 562781073 /nfs/dbraw/zinc/78/10/73/562781073.db2.gz UIKXZKCHSBRXDR-NSWWAWACSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605721 562781665 /nfs/dbraw/zinc/78/16/65/562781665.db2.gz UQRVVYXDOOLUAO-GAQVVXLESA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605721 562781666 /nfs/dbraw/zinc/78/16/66/562781666.db2.gz UQRVVYXDOOLUAO-GAQVVXLESA-N 0 3 723.830 6.573 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3c[nH]c4ccccc34)C(=O)O[C@@]21C ZINC000095609830 562784012 /nfs/dbraw/zinc/78/40/12/562784012.db2.gz INLFXTDBHWYQAW-UVQYVLMNSA-N 0 3 740.939 5.118 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000095611908 562785116 /nfs/dbraw/zinc/78/51/16/562785116.db2.gz IJLVVMDQXVMEAV-WBCKFURZSA-N 0 3 787.962 6.404 1 0 KKAFHN COc1ccc(CN2C[C@@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680092 562788398 /nfs/dbraw/zinc/78/83/98/562788398.db2.gz AYFIOZIDKGBGDF-QLVXXPONSA-N 0 3 602.757 5.563 1 0 KKAFHN COc1ccccc1CN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3OC)cc2OC[C@H]1C ZINC000095687717 562788406 /nfs/dbraw/zinc/78/84/06/562788406.db2.gz QEJGVNQBRZVANF-CEFNRUSXSA-N 0 3 590.721 5.354 1 0 KKAFHN CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095693862 562788489 /nfs/dbraw/zinc/78/84/89/562788489.db2.gz DHPIXDXHWYRYQT-OXYPMYLPSA-N 0 3 573.738 5.286 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095819229 562789207 /nfs/dbraw/zinc/78/92/07/562789207.db2.gz JQXCVRFSCSGTFT-ZQLNOWDWSA-N 0 3 634.626 5.384 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825575 562789323 /nfs/dbraw/zinc/78/93/23/562789323.db2.gz NNHYDAJISGOSNF-GVNDJSPXSA-N 0 3 654.151 5.441 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825575 562789324 /nfs/dbraw/zinc/78/93/24/562789324.db2.gz NNHYDAJISGOSNF-GVNDJSPXSA-N 0 3 654.151 5.441 1 0 KKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCCCN4CCCC4)cc3)nnc2c1 ZINC000096167741 562790500 /nfs/dbraw/zinc/79/05/00/562790500.db2.gz BBJNUTKNQNUBOC-UHFFFAOYSA-N 0 3 530.698 5.125 1 0 KKAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(C(C)C)CC4)cc3)c3nccnc23)c1Cl ZINC000096173391 562791386 /nfs/dbraw/zinc/79/13/86/562791386.db2.gz PZXSXWSNCFKFNX-UHFFFAOYSA-N 0 3 594.543 6.399 1 0 KKAFHN Cc1ccccc1CNC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174113 562791679 /nfs/dbraw/zinc/79/16/79/562791679.db2.gz FVFCAAHUOULLAC-UHFFFAOYSA-N 0 3 570.701 5.826 1 0 KKAFHN Cc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174101 562791702 /nfs/dbraw/zinc/79/17/02/562791702.db2.gz CFPZCRGUKQYLCR-UHFFFAOYSA-N 0 3 556.674 6.148 1 0 KKAFHN COc1ccc(C)cc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174099 562791713 /nfs/dbraw/zinc/79/17/13/562791713.db2.gz FJHSVNICEATDNX-UHFFFAOYSA-N 0 3 586.700 6.156 1 0 KKAFHN COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174202 562791779 /nfs/dbraw/zinc/79/17/79/562791779.db2.gz DPZYBMURJGUYOT-DIPNUNPCSA-N 0 3 645.739 5.419 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269477 562792972 /nfs/dbraw/zinc/79/29/72/562792972.db2.gz JBDKIZMXCKQPEO-MUUNZHRXSA-N 0 3 670.826 8.569 1 0 KKAFHN C[C@H](c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CCN(C)C ZINC000096269790 562793076 /nfs/dbraw/zinc/79/30/76/562793076.db2.gz TVYKSXYNPUZARC-RUZDIDTESA-N 0 3 719.853 7.092 1 0 KKAFHN C[C@@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270061 562793150 /nfs/dbraw/zinc/79/31/50/562793150.db2.gz WHKJEXOECXIDBC-AREMUKBSSA-N 0 3 642.772 7.789 1 0 KKAFHN O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCC(O)CC5)cc4)cc32)cc1 ZINC000096272623 562794145 /nfs/dbraw/zinc/79/41/45/562794145.db2.gz WEVRAOPLGYJTLY-UHFFFAOYSA-N 0 3 592.700 6.024 1 0 in-vitro KKAFHN CCN(CCO)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000096272639 562794173 /nfs/dbraw/zinc/79/41/73/562794173.db2.gz MGYRISCZOPEGNR-UHFFFAOYSA-N 0 3 580.689 5.881 1 0 KKAFHN COCCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096272794 562794257 /nfs/dbraw/zinc/79/42/57/562794257.db2.gz OOXXIVRLCXQRPS-UHFFFAOYSA-N 0 3 616.228 6.721 1 0 KKAFHN Cc1csc2cc(C(=O)N(CCN(C)C)Cc3ccc(Cl)c(Cl)c3)n(-c3ccc(F)cc3)c12 ZINC000096282444 562794652 /nfs/dbraw/zinc/79/46/52/562794652.db2.gz RIJBMUMGXUEGRW-UHFFFAOYSA-N 0 3 504.458 6.650 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Br)c2)CC1 ZINC000096285340 562795528 /nfs/dbraw/zinc/79/55/28/562795528.db2.gz ZRBNRFQNYULVHS-RBTNQOKQSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285404 562795627 /nfs/dbraw/zinc/79/56/27/562795627.db2.gz DGHNQLRVFQCZFN-AMGIVPHBSA-N 0 3 552.163 5.746 1 0 KKAFHN Cc1ccccc1[C@H]1CN(C2CCCCC2)C(=O)N1C1CCN([C@@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285424 562795629 /nfs/dbraw/zinc/79/56/29/562795629.db2.gz MZSUZRLLPGOZDL-MUAVYFROSA-N 0 3 546.760 5.186 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000096285412 562795655 /nfs/dbraw/zinc/79/56/55/562795655.db2.gz KOCOTUUHHFPNEF-RBTNQOKQSA-N 0 3 567.178 5.531 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2F)CC1 ZINC000096285442 562795679 /nfs/dbraw/zinc/79/56/79/562795679.db2.gz KJRYGRVOCLJMQX-RBTNQOKQSA-N 0 3 550.723 5.017 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2F)CC1 ZINC000096285439 562795719 /nfs/dbraw/zinc/79/57/19/562795719.db2.gz KJRYGRVOCLJMQX-PIKZIKFNSA-N 0 3 550.723 5.017 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285525 562795817 /nfs/dbraw/zinc/79/58/17/562795817.db2.gz BBDAMYDQPOZZEU-SIBVEZHUSA-N 0 3 633.518 5.036 1 0 KKAFHN O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc([O-])c12 ZINC000096285560 562795883 /nfs/dbraw/zinc/79/58/83/562795883.db2.gz VBAJECZQEAYMJO-UHFFFAOYSA-N 0 3 618.778 6.481 1 0 KKAFHN COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C ZINC000096887222 562796643 /nfs/dbraw/zinc/79/66/43/562796643.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 0 3 608.735 6.859 1 0 KKAFHN C[C@](O)(CCCNCc1ccncc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907055 562798964 /nfs/dbraw/zinc/79/89/64/562798964.db2.gz HOGZVZGIQYWNFF-VDPSFHEQSA-N 0 3 526.806 5.719 1 0 KKAFHN O=C(NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000096922437 562801806 /nfs/dbraw/zinc/80/18/06/562801806.db2.gz DZJMVKKMRDEWDJ-UHFFFAOYSA-N 0 3 559.710 6.265 1 0 KKAFHN O=C1C[C@@H](c2cccs2)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)sc2N1CCCN1CCCCC1 ZINC000096923474 562802061 /nfs/dbraw/zinc/80/20/61/562802061.db2.gz VGJJIQWZDLHURY-VWLOTQADSA-N 0 3 581.634 9.195 1 0 KKAFHN O=C(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)c1ccccc1[O-])c1ccccc1[O-] ZINC000096935028 562804000 /nfs/dbraw/zinc/80/40/00/562804000.db2.gz ZSTPDMFXEGINLF-UHFFFAOYSA-N 0 3 554.776 5.118 1 0 KKAFHN COc1ccccc1OCCNC[C@H](O)COc1ccc2[nH]c3ccc(Br)cc3c2c1Br ZINC000096939788 562804787 /nfs/dbraw/zinc/80/47/87/562804787.db2.gz WVRJJSKOFGAWKQ-INIZCTEOSA-N 0 3 564.274 5.263 1 0 KKAFHN CN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc([N-]c5nc6cccc(Cl)c6o5)c(F)c4)c4c3ncnc4N)CC2)CC1 ZINC000101367554 562810465 /nfs/dbraw/zinc/81/04/65/562810465.db2.gz SKBWQUPLWQUWPH-WGSAOQKQSA-N 0 3 576.080 5.484 1 0 KKAFHN CCN1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696202 562811789 /nfs/dbraw/zinc/81/17/89/562811789.db2.gz AWQBBDDSXLFRTH-UHFFFAOYSA-N 0 3 596.753 5.631 1 0 KKAFHN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN(CCO)CCO)[C@@H]12 ZINC000103224877 562817635 /nfs/dbraw/zinc/81/76/35/562817635.db2.gz HPRCEZXFSZKVHG-JORIVFIJSA-N 0 3 532.725 5.436 1 0 KKAFHN CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cn4)ccc(c23)C1=O ZINC000103230294 562818116 /nfs/dbraw/zinc/81/81/16/562818116.db2.gz AMCNUZAKAMEOIT-UHFFFAOYSA-N 0 3 546.471 5.888 1 0 KKAFHN COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230184 562818131 /nfs/dbraw/zinc/81/81/31/562818131.db2.gz BJTJWSNHVLJIJI-GHMVGRGESA-N 0 3 532.496 7.401 1 0 KKAFHN COc1ccc(CNC(=O)C[C@H]2c3ccccc3N=C(N3CCN(CCN(C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240433 562819495 /nfs/dbraw/zinc/81/94/95/562819495.db2.gz NVUOOHYUOQYRFG-BHVANESWSA-N 0 3 616.810 5.797 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@@]2(c3cnc(Cl)cc3NC2=O)[C@@H]1c1cccc(Cl)c1F ZINC000103253996 562820612 /nfs/dbraw/zinc/82/06/12/562820612.db2.gz CGCOPBXAGSCZNX-JLEYQQFFSA-N 0 3 614.505 5.024 1 0 KKAFHN COc1ccc2[nH]cc(CCN(C)Cc3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 ZINC000103256587 562820857 /nfs/dbraw/zinc/82/08/57/562820857.db2.gz SWVBKVBMDAMNEF-UHFFFAOYSA-N 0 3 547.449 6.299 1 0 KKAFHN CN(CCc1c[nH]c2ccccc12)Cc1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1 ZINC000103256584 562820876 /nfs/dbraw/zinc/82/08/76/562820876.db2.gz SOVUZNXBGWJTIG-UHFFFAOYSA-N 0 3 517.423 6.290 1 0 KKAFHN O=C(N1CCN(c2ccccn2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000103261471 562821371 /nfs/dbraw/zinc/82/13/71/562821371.db2.gz LAMYCJIXYOSQFI-MUUNZHRXSA-N 0 3 592.584 5.882 1 0 KKAFHN O=C(Nc1cnc2ccccn12)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263332 562821711 /nfs/dbraw/zinc/82/17/11/562821711.db2.gz GGIPAWOBNIQMSB-UHFFFAOYSA-N 0 3 502.018 5.910 1 0 KKAFHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264965 562822084 /nfs/dbraw/zinc/82/20/84/562822084.db2.gz FMGDMZSRGWKPMM-UHFFFAOYSA-N 0 3 535.570 6.717 1 0 KKAFHN CCOC(=O)[C@@]12CN(C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000105484959 562825290 /nfs/dbraw/zinc/82/52/90/562825290.db2.gz JKJUPHVYTNXPOR-OHOMVRQRSA-N 0 3 571.714 5.452 1 0 KKAFHN COc1cc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)ccc1C(N)=O ZINC000113335322 562826426 /nfs/dbraw/zinc/82/64/26/562826426.db2.gz HRVXLPRCNWFREN-ISKXDESKSA-N 0 3 613.517 5.629 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cccc(CN(C)C)c4)c3c2)cc(Cl)c1O ZINC000114036490 562827136 /nfs/dbraw/zinc/82/71/36/562827136.db2.gz UFKYZXYZLCQHOX-UHFFFAOYSA-N 0 3 502.014 6.667 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1C(F)(F)F ZINC000114098810 562827561 /nfs/dbraw/zinc/82/75/61/562827561.db2.gz XXEWRUZFINTDJJ-GOSISDBHSA-N 0 3 513.000 5.931 1 0 KKAFHN CN(C)c1ccc(Oc2cc(O)cc([O-])c2-c2cc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)no2)cc1 ZINC000114333643 562827951 /nfs/dbraw/zinc/82/79/51/562827951.db2.gz HUGIJXRXAAZKMD-UHFFFAOYSA-N 0 3 534.657 5.386 1 0 KKAFHN CCOc1cc(CN2CCC3(CN(c4ccc(=O)[nH]c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114357000 562828158 /nfs/dbraw/zinc/82/81/58/562828158.db2.gz LNFGKBZDBLITRH-UHFFFAOYSA-N 0 3 521.589 5.382 1 0 KKAFHN Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000114602922 562828403 /nfs/dbraw/zinc/82/84/03/562828403.db2.gz GCGNPPCFOWHEEJ-UHFFFAOYSA-N 0 3 519.639 5.567 1 0 KKAFHN CC(C)N(CCN(C)C)c1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118799852 562830715 /nfs/dbraw/zinc/83/07/15/562830715.db2.gz VVDDORQGXUJPER-DHUJRADRSA-N 0 3 582.192 6.827 1 0 KKAFHN CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000140404247 562833059 /nfs/dbraw/zinc/83/30/59/562833059.db2.gz UEYOQAFAZYHFFH-UHFFFAOYSA-N 0 3 624.790 5.012 1 0 KKAFHN O=C(Nc1cc(-c2ccccc2)ccc1[O-])c1ccc(C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000140738537 562833297 /nfs/dbraw/zinc/83/32/97/562833297.db2.gz CFYWRQMGLYSFGL-UHFFFAOYSA-N 0 3 501.424 6.406 1 0 KKAFHN CN1CC[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000140981802 562833419 /nfs/dbraw/zinc/83/34/19/562833419.db2.gz BYVKTKUNYXDYDU-QBTHZYCMSA-N 0 3 525.637 5.117 1 0 KKAFHN CN1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140950222 562833426 /nfs/dbraw/zinc/83/34/26/562833426.db2.gz XFBYPOVDIRGRAL-LYCCBFRSSA-N 0 3 524.653 5.292 1 0 KKAFHN Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCNCC6)nc5)c4)nc(C)n3)cc12 ZINC000142181262 562833994 /nfs/dbraw/zinc/83/39/94/562833994.db2.gz BGAWAXJXPZATBR-FQEVSTJZSA-N 0 3 505.626 5.546 1 0 KKAFHN [NH3+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000142556229 562834241 /nfs/dbraw/zinc/83/42/41/562834241.db2.gz CEZKXCISFFAHCY-IRLDBZIGSA-N 0 3 511.496 5.012 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@H](C)c1ccccc1)CC2 ZINC000143034363 562834515 /nfs/dbraw/zinc/83/45/15/562834515.db2.gz OIYMBMDXDPXFAN-OAQYLSRUSA-N 0 3 524.669 5.354 1 0 KKAFHN [NH3+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143249486 562834858 /nfs/dbraw/zinc/83/48/58/562834858.db2.gz AYHOCUNWSMDBOV-RTWAWAEBSA-N 0 3 511.496 5.012 1 0 KKAFHN [NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c([O-])c6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143445988 562835023 /nfs/dbraw/zinc/83/50/23/562835023.db2.gz OETMQIBYSRBYMK-UHFFFAOYSA-N 0 3 500.577 7.066 1 0 KKAFHN CCc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145975293 562837923 /nfs/dbraw/zinc/83/79/23/562837923.db2.gz BEQVKAGWNFYVHJ-UHFFFAOYSA-N 0 3 553.585 5.547 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146023426 562837967 /nfs/dbraw/zinc/83/79/67/562837967.db2.gz BEZARJZIEWXGRK-UHFFFAOYSA-N 0 3 614.600 5.121 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146045676 562838035 /nfs/dbraw/zinc/83/80/35/562838035.db2.gz ZVALDEJYTUSGEA-HNNXBMFYSA-N 0 3 585.492 5.299 1 0 KKAFHN O=C(Cc1nc2scc(-c3ccc(F)cc3)c2c(N2CCC[C@@H]2c2ccccc2)n1)NCCN1CCCC1 ZINC000146393300 562838550 /nfs/dbraw/zinc/83/85/50/562838550.db2.gz PRFYUSGJAFUUSN-RUZDIDTESA-N 0 3 529.685 5.593 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N(C)CCN(C)C)nc43)c2)cc1C(F)(F)F ZINC000148076046 562840111 /nfs/dbraw/zinc/84/01/11/562840111.db2.gz UJUDWFDXSJYDHU-UHFFFAOYSA-N 0 3 608.547 5.460 1 0 KKAFHN CN(CCN1CCCC1)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148081410 562840185 /nfs/dbraw/zinc/84/01/85/562840185.db2.gz AGJMXBFLQVGXDW-UHFFFAOYSA-N 0 3 583.619 5.252 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCCC3)nc21 ZINC000148145853 562840315 /nfs/dbraw/zinc/84/03/15/562840315.db2.gz OIMDHNWPDDTLFN-UHFFFAOYSA-N 0 3 621.712 6.121 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCCC3)nc21 ZINC000148166004 562840437 /nfs/dbraw/zinc/84/04/37/562840437.db2.gz NBUBXYGRPAAZEG-UHFFFAOYSA-N 0 3 621.712 6.121 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148298060 562840875 /nfs/dbraw/zinc/84/08/75/562840875.db2.gz AJQOHSOXEPEOML-UHFFFAOYSA-N 0 3 593.658 5.341 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(CC(C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148300791 562840961 /nfs/dbraw/zinc/84/09/61/562840961.db2.gz AWORIDNESYCBPS-UHFFFAOYSA-N 0 3 594.642 5.530 1 0 KKAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148761048 562841793 /nfs/dbraw/zinc/84/17/93/562841793.db2.gz GERKWUCMHZITIS-UHFFFAOYSA-N 0 3 602.095 5.229 1 0 KKAFHN COc1c(C)cccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148817661 562841813 /nfs/dbraw/zinc/84/18/13/562841813.db2.gz VVFHLEGKGYADNF-QHCPKHFHSA-N 0 3 501.067 5.325 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2cc[nH]n2)n1 ZINC000148964061 562842032 /nfs/dbraw/zinc/84/20/32/562842032.db2.gz WYMKOXQOQLMVCR-UHFFFAOYSA-N 0 3 567.572 5.254 1 0 KKAFHN CN(C)CCN(Cc1ccccc1)c1nc2c(c(Br)c(Br)c(Br)c2Br)n1Cc1ccccc1 ZINC000164753399 562849737 /nfs/dbraw/zinc/84/97/37/562849737.db2.gz KVYCBDPHQJRSEH-UHFFFAOYSA-N 0 3 700.111 7.703 1 0 KKAFHN C[NH+](C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1OC(F)(F)F ZINC000150524460 562843703 /nfs/dbraw/zinc/84/37/03/562843703.db2.gz SQQCWAUDUKFTMP-PGUFJCEWSA-N 0 3 852.445 8.871 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(S(C)(=O)=O)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538921 562844079 /nfs/dbraw/zinc/84/40/79/562844079.db2.gz VKOHBAFPRYGTSG-UHFFFAOYSA-N 0 3 858.531 6.219 1 0 KKAFHN CN1CCN(C[C@@H](O)COc2c(Br)cc(C3(c4cc(Br)c(OC[C@H](O)CN5CCN(C)CC5)c(Br)c4)CCCC3)cc2Br)CC1 ZINC000150572101 562845138 /nfs/dbraw/zinc/84/51/38/562845138.db2.gz FRIJBBZZVJQGPH-CLJLJLNGSA-N 0 3 882.371 5.571 1 0 KKAFHN CC(C)(c1cc(Br)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572385 562845143 /nfs/dbraw/zinc/84/51/43/562845143.db2.gz NEYJXFWMMBBXBO-WMPKNSHKSA-N 0 3 942.375 6.220 1 0 KKAFHN CC(C)(c1cc(Br)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572389 562845146 /nfs/dbraw/zinc/84/51/46/562845146.db2.gz NEYJXFWMMBBXBO-UIOOFZCWSA-N 0 3 942.375 6.220 1 0 KKAFHN CN1CC2(C1)CCN(c1ncccc1C(=O)Nc1ccc(C(=O)N3CCc4cc(C(=O)NC5CC5)sc4-c4ccccc43)cc1)CC2 ZINC000150598948 562846913 /nfs/dbraw/zinc/84/69/13/562846913.db2.gz CRQBONWQODBTFP-UHFFFAOYSA-N 0 3 646.817 5.690 1 0 KKAFHN CCCCN1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606219 562847891 /nfs/dbraw/zinc/84/78/91/562847891.db2.gz WOBWACBYJMRKDB-ILFWFZRHSA-N 0 3 674.956 6.416 1 0 KKAFHN CN(C)C[C@@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@@H](O)c1ccccc1 ZINC000164752574 562849706 /nfs/dbraw/zinc/84/97/06/562849706.db2.gz FAPXOLFYGWNEHZ-ZMZPIMSZSA-N 0 3 640.012 5.936 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCc3ccccc3)nc21 ZINC000165264319 562849970 /nfs/dbraw/zinc/84/99/70/562849970.db2.gz AAXCSAUROUOWAI-UHFFFAOYSA-N 0 3 643.718 6.395 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCc3ccccc3)nc21 ZINC000165265685 562849986 /nfs/dbraw/zinc/84/99/86/562849986.db2.gz ZYUXDSFZIBUVHM-UHFFFAOYSA-N 0 3 643.718 6.395 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(c4ccncc4)CC3)nc12 ZINC000166171283 562850333 /nfs/dbraw/zinc/85/03/33/562850333.db2.gz QKKQQWJYFMEBOO-UHFFFAOYSA-N 0 3 614.636 5.437 1 0 KKAFHN O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1CN1CC[C@@H](O)C1 ZINC000169294861 562852309 /nfs/dbraw/zinc/85/23/09/562852309.db2.gz ZSYUYCGOXXOFOB-IZZNHLLZSA-N 0 3 548.609 5.977 1 0 KKAFHN CC(=O)Nc1ccc(OC[C@H](O)CN(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317496 562855980 /nfs/dbraw/zinc/85/59/80/562855980.db2.gz GLCDSMRSFSVQSW-SHQCIBLASA-N 0 3 516.560 5.546 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000169317802 562856030 /nfs/dbraw/zinc/85/60/30/562856030.db2.gz CZVLXTAHCSHXFS-RDGATRHJSA-N 0 3 527.505 6.606 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000169317800 562856058 /nfs/dbraw/zinc/85/60/58/562856058.db2.gz CZVLXTAHCSHXFS-RCZVLFRGSA-N 0 3 527.505 6.606 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1[O-] ZINC000169321629 562856686 /nfs/dbraw/zinc/85/66/86/562856686.db2.gz MHCLZKGUUFRJCO-DHUJRADRSA-N 0 3 666.885 6.498 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(F)c([O-])cc3F)CC2)ccc1O ZINC000169321652 562856711 /nfs/dbraw/zinc/85/67/11/562856711.db2.gz PBXXNFYJZUROSJ-DHUJRADRSA-N 0 3 718.864 6.481 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5cccnc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321704 562856723 /nfs/dbraw/zinc/85/67/23/562856723.db2.gz PWIWFWREUGTRPM-UHFFFAOYSA-N 0 3 547.634 6.129 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cccc(O)c3)CC2)ccc1[O-] ZINC000169321633 562856736 /nfs/dbraw/zinc/85/67/36/562856736.db2.gz XRUGWYOIFVUFLD-DHUJRADRSA-N 0 3 682.884 6.203 1 0 KKAFHN O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000169321786 562856755 /nfs/dbraw/zinc/85/67/55/562856755.db2.gz SHFNIISRGKKENH-UHFFFAOYSA-N 0 3 561.570 7.616 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169324455 562857381 /nfs/dbraw/zinc/85/73/81/562857381.db2.gz BLQDWSJAPJPBQS-UHFFFAOYSA-N 0 3 626.245 8.036 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334055 562859424 /nfs/dbraw/zinc/85/94/24/562859424.db2.gz PSHHPVBEOOCKRH-XMMPIXPASA-N 0 3 609.438 8.746 1 0 KKAFHN CN(C)S(=O)(=O)c1ccc([O-])c2c1C1(CN2c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[NH+](CC(C)(C)C)CC1 ZINC000169348359 562862154 /nfs/dbraw/zinc/86/21/54/562862154.db2.gz ZKXJRRWGMUIFHW-UHFFFAOYSA-N 0 3 675.774 6.717 1 0 KKAFHN CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169348419 562862243 /nfs/dbraw/zinc/86/22/43/562862243.db2.gz NJRDJJXQKVSGAM-QTQRRKOQSA-N 0 3 699.651 5.584 1 0 KKAFHN CC[C@@H](C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348480 562862280 /nfs/dbraw/zinc/86/22/80/562862280.db2.gz OZSTZBYOVXBASP-CPBHLAHYSA-N 0 3 626.842 6.101 1 0 KKAFHN CCCCCC[P@](=O)(COc1ccc(CCN(C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000169357115 562863901 /nfs/dbraw/zinc/86/39/01/562863901.db2.gz HGLRSGVEGXDYFV-KDBCYLSHSA-N 0 3 819.937 6.583 1 0 KKAFHN CC(C)CCN1CC[C@H](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169362671 562864275 /nfs/dbraw/zinc/86/42/75/562864275.db2.gz GRZGPYMYCGWTKZ-MXSCXNJPSA-N 0 3 536.713 5.421 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cc(C)ccc1Cl)CC2 ZINC000169702196 562868258 /nfs/dbraw/zinc/86/82/58/562868258.db2.gz XKEOWGKPMORJIB-UHFFFAOYSA-N 0 3 572.113 5.181 1 0 KKAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CN(C(C)C)C5)cc4)c3)c(OC)cc21 ZINC000169711544 562871011 /nfs/dbraw/zinc/87/10/11/562871011.db2.gz VVPWBINIRDMDJM-UHFFFAOYSA-N 0 3 513.598 5.085 1 0 KKAFHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](N)Cc1ccccc1 ZINC000195508486 562872057 /nfs/dbraw/zinc/87/20/57/562872057.db2.gz FUMCCVPXFNXOKW-ILAQREBVSA-N 0 3 627.826 5.752 1 0 KKAFHN CN1CCC(N[C@@H](Cc2ccccc2)C(=O)NCC(c2ccccc2)c2ccccc2)(C(=O)NC2CCCCC2)CC1 ZINC000205714009 562875722 /nfs/dbraw/zinc/87/57/22/562875722.db2.gz PMSMKNLEQABZPX-XIFFEERXSA-N 0 3 566.790 5.049 3 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000221457631 562878970 /nfs/dbraw/zinc/87/89/70/562878970.db2.gz AKQSCHLJARNVMJ-UHFFFAOYSA-N 0 3 555.723 6.425 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CCN(C)C)c1)C2=O ZINC000224096346 562880341 /nfs/dbraw/zinc/88/03/41/562880341.db2.gz IFRLFSYFJZFISV-NDEPHWFRSA-N 0 3 580.516 5.784 1 0 KKAFHN CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000253634020 562882126 /nfs/dbraw/zinc/88/21/26/562882126.db2.gz MOSIRVPMEDLWCZ-NHCJTOIWSA-N 0 3 583.729 5.021 1 0 KKAFHN Nc1ncnc2c1c(-c1ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC000253665700 562882671 /nfs/dbraw/zinc/88/26/71/562882671.db2.gz LIAHZGBRLZUXFH-WGSAOQKQSA-N 0 3 577.520 5.665 1 0 KKAFHN Nc1ncnc2c1c(-c1ccc3[nH]c(Cc4c(Cl)cccc4Cl)nc3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC000253665700 562882672 /nfs/dbraw/zinc/88/26/72/562882672.db2.gz LIAHZGBRLZUXFH-WGSAOQKQSA-N 0 3 577.520 5.665 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccc(OC(C)=O)cc1 ZINC000299823736 562883054 /nfs/dbraw/zinc/88/30/54/562883054.db2.gz UCMIPZWVVYMYML-UHFFFAOYSA-N 0 3 550.655 6.680 1 0 KKAFHN CCCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)sc1C ZINC000299824944 562883433 /nfs/dbraw/zinc/88/34/33/562883433.db2.gz FCNFVEJKQISIMT-VWLOTQADSA-N 0 3 545.671 5.714 1 0 KKAFHN CN1CCN(CCCCn2c3ccc(-c4nc5cc(N6CCOCC6)ccc5[nH]4)cc3c3cc(-c4nc5cc(N6CCOCC6)ccc5[nH]4)ccc32)CC1 ZINC000299827714 562884196 /nfs/dbraw/zinc/88/41/96/562884196.db2.gz HHNKNOPIOKMPSB-UHFFFAOYSA-N 0 3 723.926 6.582 1 0 KKAFHN FC(F)(F)c1cc(-n2cc(CN3CCN(C4CCCCC4)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299828088 562884328 /nfs/dbraw/zinc/88/43/28/562884328.db2.gz GVPLVRZELOGWPN-UHFFFAOYSA-N 0 3 512.502 5.303 1 0 KKAFHN CN(C)CCNC(=O)[C@@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299828070 562884354 /nfs/dbraw/zinc/88/43/54/562884354.db2.gz GUBQEQSMHAYLBR-SSEXGKCCSA-N 0 3 589.658 5.970 1 0 KKAFHN O=C(CN(CC(=O)N1CCC(c2ccccc2)CC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCCN1CCCC1 ZINC000299828625 562884561 /nfs/dbraw/zinc/88/45/61/562884561.db2.gz KHJRVIYMDMYOJV-UHFFFAOYSA-N 0 3 609.598 6.210 1 0 KKAFHN COc1cc2cc(C(=O)NCCCCCCNc3c4ccccc4nc4c3CCCC4)c(=O)oc2cc1OC ZINC000299834059 562886366 /nfs/dbraw/zinc/88/63/66/562886366.db2.gz SZUGHTGZLWHQJO-UHFFFAOYSA-N 0 3 529.637 5.640 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(C(C)(C)C)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C(C)(C)C)[nH]1)C(=O)NCc1ccccc1 ZINC000299839058 562888064 /nfs/dbraw/zinc/88/80/64/562888064.db2.gz POUHEIGWWYPZAG-AFEGWXKPSA-N 0 3 779.987 5.416 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1cnc(C(C)(C)C)[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C(C)(C)C)n1)C(=O)NCc1ccccc1 ZINC000299839058 562888065 /nfs/dbraw/zinc/88/80/65/562888065.db2.gz POUHEIGWWYPZAG-AFEGWXKPSA-N 0 3 779.987 5.416 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(NC(C)=O)c4)cc3)ccc2OC)c1 ZINC000299839594 562888271 /nfs/dbraw/zinc/88/82/71/562888271.db2.gz SPLTWGXDTZYLPF-UHFFFAOYSA-N 0 3 579.697 6.722 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(Cl)c4)cc3)ccc2OC)c1 ZINC000299839974 562888384 /nfs/dbraw/zinc/88/83/84/562888384.db2.gz UHOFCFKSBAPXCO-UHFFFAOYSA-N 0 3 557.090 7.417 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299840182 562888439 /nfs/dbraw/zinc/88/84/39/562888439.db2.gz VNXKXHPNCGBZAW-UHFFFAOYSA-N 0 3 706.750 6.282 1 0 KKAFHN CCN(CC)CCOc1c(I)cc(C(=O)c2c(CC[C@@H](C)O)oc3ccccc32)cc1I ZINC000299853251 562891147 /nfs/dbraw/zinc/89/11/47/562891147.db2.gz IIOUFGJTYMDOPR-MRXNPFEDSA-N 0 3 661.318 5.907 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299860810 562893043 /nfs/dbraw/zinc/89/30/43/562893043.db2.gz HELQVBTZKVKAPS-PGUFJCEWSA-N 0 3 557.779 7.397 1 0 KKAFHN CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000299862340 562893573 /nfs/dbraw/zinc/89/35/73/562893573.db2.gz JMXSXBDDJQXSOT-YTTGMZPUSA-N 0 3 544.784 5.458 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863847 562893980 /nfs/dbraw/zinc/89/39/80/562893980.db2.gz LRIVUPRHLMQOGF-MRUMMDIBSA-N 0 3 606.166 6.980 1 0 KKAFHN CN(C)CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864793 562894222 /nfs/dbraw/zinc/89/42/22/562894222.db2.gz MVEOKWWWGIPPQA-TUHHXPBESA-N 0 3 545.683 5.792 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299870691 562895508 /nfs/dbraw/zinc/89/55/08/562895508.db2.gz WSGCGGATBVZWKD-ZEWDBUAUSA-N 0 3 571.721 6.326 1 0 KKAFHN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCCN2CCN(CCO)CC2)COC1=O ZINC000473088693 562897331 /nfs/dbraw/zinc/89/73/31/562897331.db2.gz PNGLGPNEDDTOPR-NRINARKRSA-N 0 3 780.912 5.024 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2[nH]c(=O)n(-c3ccccc3Cl)c2C)cc1F ZINC000473093459 562897795 /nfs/dbraw/zinc/89/77/95/562897795.db2.gz UFYWONKSWCXKNY-UHFFFAOYSA-N 0 3 675.161 6.297 1 0 KKAFHN CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN21 ZINC000473107595 562898347 /nfs/dbraw/zinc/89/83/47/562898347.db2.gz JJDYDYIGQQPOAJ-LHHUKBANSA-N 0 3 520.721 5.369 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000473115379 562899030 /nfs/dbraw/zinc/89/90/30/562899030.db2.gz SKDGVSHKHIHUQY-XHNBAOFPSA-N 0 3 715.895 5.685 1 0 KKAFHN CCN(CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473115872 562899074 /nfs/dbraw/zinc/89/90/74/562899074.db2.gz UZWFCPNNTSFTBG-UHFFFAOYSA-N 0 3 547.648 6.176 1 0 KKAFHN CC[N@H+](CCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117621 562899233 /nfs/dbraw/zinc/89/92/33/562899233.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN CC[N@@H+](CCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117621 562899234 /nfs/dbraw/zinc/89/92/34/562899234.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152106 562901714 /nfs/dbraw/zinc/90/17/14/562901714.db2.gz BLEZDXMREFRRMW-UILWBTOOSA-N 0 3 534.100 6.351 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473165289 562902921 /nfs/dbraw/zinc/90/29/21/562902921.db2.gz WDSWVYBSKVZAEY-XYWHTSSQSA-N 0 3 508.062 5.960 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179744 562903493 /nfs/dbraw/zinc/90/34/93/562903493.db2.gz RWQUGWZUVFWOSC-VJBMBRPKSA-N 0 3 538.088 5.321 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179744 562903494 /nfs/dbraw/zinc/90/34/94/562903494.db2.gz RWQUGWZUVFWOSC-VJBMBRPKSA-N 0 3 538.088 5.321 1 0 KKAFHN CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000473220513 562904085 /nfs/dbraw/zinc/90/40/85/562904085.db2.gz HRFIDHIKBHCVPR-ZSRYVLJCSA-N 0 3 793.300 6.146 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C)cc3)c(=O)n2C)cc1F ZINC000474609315 562905564 /nfs/dbraw/zinc/90/55/64/562905564.db2.gz PHJDVAQGVCNRBI-UHFFFAOYSA-N 0 3 668.770 5.550 1 0 KKAFHN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(-c5ccc(C(=O)NCCN(C)C)cc5)n4)o3)nc2s1 ZINC000653667446 562906036 /nfs/dbraw/zinc/90/60/36/562906036.db2.gz WJVXJQZBLSCHQL-UHFFFAOYSA-N 0 3 604.714 5.215 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1ccc2ccccc2c1 ZINC000653699597 562907276 /nfs/dbraw/zinc/90/72/76/562907276.db2.gz IXLSBDXBCUSOJH-BHVANESWSA-N 0 3 557.694 6.925 1 0 KKAFHN COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2OC[C@@H]1CN(C)C ZINC000653699584 562907278 /nfs/dbraw/zinc/90/72/78/562907278.db2.gz CNKNQPUXMDIQIR-SSKOMTKWSA-N 0 3 533.466 5.596 1 0 KKAFHN CS(=O)(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653725347 562909024 /nfs/dbraw/zinc/90/90/24/562909024.db2.gz GGTYXCXPJIZXPX-UHFFFAOYSA-N 0 3 592.647 5.415 1 0 KKAFHN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1(CN2CCCCC2)CC1 ZINC000653773204 562911850 /nfs/dbraw/zinc/91/18/50/562911850.db2.gz SLABCXCVYCKPSQ-VEILYXNESA-N 0 3 560.702 5.725 1 0 KKAFHN CCCNC(=O)C1CCN(C(=O)c2c(CNCc3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786081 562912389 /nfs/dbraw/zinc/91/23/89/562912389.db2.gz MBTCZNMFLQOBHC-UHFFFAOYSA-N 0 3 558.748 5.428 1 0 KKAFHN COc1ccc(Cn2c3ccsc3c(CN[C@@H](C)c3ccccc3)c2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000653796430 562913131 /nfs/dbraw/zinc/91/31/31/562913131.db2.gz SGLAYWKDSWOYPA-SANMLTNESA-N 0 3 578.782 6.569 1 0 KKAFHN C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(NCCN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822685 562914160 /nfs/dbraw/zinc/91/41/60/562914160.db2.gz QTUYPIHERHUIJG-CQSZACIVSA-N 0 3 510.429 5.922 1 0 KKAFHN C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822640 562914165 /nfs/dbraw/zinc/91/41/65/562914165.db2.gz JQKDGGRZIBHFLB-MRXNPFEDSA-N 0 3 536.467 6.090 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653857568 562915831 /nfs/dbraw/zinc/91/58/31/562915831.db2.gz ZMMPJVTUJGNGJO-UHFFFAOYSA-N 0 3 639.732 5.641 1 0 KKAFHN OCCN1CCN(C[C@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000653866791 562916275 /nfs/dbraw/zinc/91/62/75/562916275.db2.gz VVXQETWWQMXUFT-AREMUKBSSA-N 0 3 536.076 5.305 1 0 KKAFHN O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916990 /nfs/dbraw/zinc/91/69/90/562916990.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 0 3 519.652 5.309 1 0 KKAFHN CC1=C[C@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C\CCC4=NCCC[C@@]43CC2)OC1=O ZINC000100784153 571841623 /nfs/dbraw/zinc/84/16/23/571841623.db2.gz DVXZVCNEGRKLMW-BGGZAUHQSA-N 0 3 507.715 6.427 1 0 endogenous,in-man KKAFHN COc1ccc(CNc2ncnc3c2cc(NC(=O)C(F)(F)F)c(OC)c3CCN2CCCCC2)cc1Cl ZINC000042852540 581099459 /nfs/dbraw/zinc/09/94/59/581099459.db2.gz IBIOIBXTTFIPRP-UHFFFAOYSA-N 0 3 551.997 5.442 1 0 KKAFHN CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567499 291940640 /nfs/dbraw/zinc/94/06/40/291940640.db2.gz PYFGOTUZFCXWHW-YBURCXCDSA-N 0 3 604.700 5.068 1 0 biogenic,in-vitro KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001487918 561676031 /nfs/dbraw/zinc/67/60/31/561676031.db2.gz ITHOBZKJMFCARD-GPJMPKJXSA-N 0 3 557.181 5.289 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc2ccccc2c1)c1ccc(OCCN2CCCCC2)cc1 ZINC000001545572 561677138 /nfs/dbraw/zinc/67/71/38/561677138.db2.gz NHNVNUNXHQYDFZ-UHFFFAOYSA-N 0 3 507.655 7.523 1 0 KKAFHN COc1ccc2c(c1)sc1c2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC)ccc2-1 ZINC000001545277 561677145 /nfs/dbraw/zinc/67/71/45/561677145.db2.gz SUWVWDRFMWRSLT-LJAQVGFWSA-N 0 3 501.648 6.932 1 0 KKAFHN CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)[C@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000001646021 561678355 /nfs/dbraw/zinc/67/83/55/561678355.db2.gz BRRBBMGKRWVXNP-AWEZNQCLSA-N 0 3 539.458 5.483 1 0 KKAFHN CC(C)C(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000003787789 561682391 /nfs/dbraw/zinc/68/23/91/561682391.db2.gz LHFTWCKXENCOHI-UHFFFAOYSA-N 0 3 507.621 6.221 1 0 KKAFHN COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003813546 561682762 /nfs/dbraw/zinc/68/27/62/561682762.db2.gz RTJYNDZSOVYLSA-GDLZYMKVSA-N 0 3 516.663 6.575 1 0 KKAFHN Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003917026 561685149 /nfs/dbraw/zinc/68/51/49/561685149.db2.gz YSWHQXPXNDQJSJ-GAHHUZMSSA-N 0 3 678.918 5.691 1 0 KKAFHN O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000003976302 561691921 /nfs/dbraw/zinc/69/19/21/561691921.db2.gz IPYSGZQQGUWCKZ-UHFFFAOYSA-N 0 3 503.690 7.095 1 0 KKAFHN CS(=O)(=O)N(c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000003982651 561692644 /nfs/dbraw/zinc/69/26/44/561692644.db2.gz RSJYPIKEOWEIPQ-UHFFFAOYSA-N 0 3 628.794 5.095 1 0 KKAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000003987503 561693007 /nfs/dbraw/zinc/69/30/07/561693007.db2.gz JKURHCLTNUAEBX-AJQTZOPKSA-N 0 3 655.739 5.694 1 0 KKAFHN CCOP(=O)(OCC)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000004391816 561694778 /nfs/dbraw/zinc/69/47/78/561694778.db2.gz ZCJPDSRYWLQWPG-UHFFFAOYSA-N 0 3 593.682 7.261 1 0 KKAFHN COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000004425220 561694973 /nfs/dbraw/zinc/69/49/73/561694973.db2.gz GBPBWQGPBSYBOV-HSZRJFAPSA-N 0 3 518.466 5.839 1 0 KKAFHN CN(C)CCCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000005582802 561697269 /nfs/dbraw/zinc/69/72/69/561697269.db2.gz YJQVXHUAHNHGNJ-UHFFFAOYSA-N 0 3 556.786 6.589 1 0 KKAFHN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](O[C@@H](CN)c3cc(Cl)c(OCc4ccccc4)c(OCc4ccccc4)c3)C[C@H]21 ZINC000006040705 561702117 /nfs/dbraw/zinc/70/21/17/561702117.db2.gz BVGWFRPIXPSLDA-TZZAJGITSA-N 0 3 562.150 7.702 1 0 KKAFHN Cc1ccc(-n2ncc(C(=O)NCCCN3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597745 561706200 /nfs/dbraw/zinc/70/62/00/561706200.db2.gz NIOIBFKJMZBWEE-UHFFFAOYSA-N 0 3 571.766 5.782 1 0 KKAFHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000008597264 561706225 /nfs/dbraw/zinc/70/62/25/561706225.db2.gz QIJYPARIQBYAKU-UHFFFAOYSA-N 0 3 571.766 5.671 1 0 KKAFHN C[C@H](Nc1nccc(-c2cc(N3CCNCC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439158 561712256 /nfs/dbraw/zinc/71/22/56/561712256.db2.gz GUJHNVVLTAXWRX-SFHVURJKSA-N 0 3 505.548 5.202 1 0 KKAFHN CCCCCN(CCCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451510 561713369 /nfs/dbraw/zinc/71/33/69/561713369.db2.gz BJQATYNEVSQONU-UHFFFAOYSA-N 0 3 512.760 7.347 1 0 KKAFHN O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588393 561720998 /nfs/dbraw/zinc/72/09/98/561720998.db2.gz JQFIBEBVODCPDV-HKBQPEDESA-N 0 3 515.697 7.947 1 0 KKAFHN O=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588394 561721021 /nfs/dbraw/zinc/72/10/21/561721021.db2.gz CWQKVNKWLYIJAS-JGCGQSQUSA-N 0 3 515.697 7.947 1 0 KKAFHN O=CNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643385 561722330 /nfs/dbraw/zinc/72/23/30/561722330.db2.gz PAURWMOEDJATQA-UHFFFAOYSA-N 0 3 527.452 5.225 1 0 KKAFHN O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013661687 561723593 /nfs/dbraw/zinc/72/35/93/561723593.db2.gz LIPXDRRTIGUPAP-SANMLTNESA-N 0 3 523.540 5.930 3 0 KKAFHN CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781694 561729459 /nfs/dbraw/zinc/72/94/59/561729459.db2.gz OIQRRPTWMZBNMA-SKCUWOTOSA-N 0 3 528.759 5.323 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)c2ccccc12)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834329 561734215 /nfs/dbraw/zinc/73/42/15/561734215.db2.gz AUPWRJNTFCCWDZ-UHFFFAOYSA-N 0 3 523.654 7.228 1 0 KKAFHN CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H](CN1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC000013978653 561735861 /nfs/dbraw/zinc/73/58/61/561735861.db2.gz KWOOBZQKQHYUGT-DEOSSOPVSA-N 0 3 520.592 5.264 1 0 KKAFHN CN(C)C[C@H](O)COc1ccc(Nc2cc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)ncn2)cc1 ZINC000014945878 561743359 /nfs/dbraw/zinc/74/33/59/561743359.db2.gz DYFJIKDOEKMQFC-QHCPKHFHSA-N 0 3 538.479 6.167 1 0 KKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000014946305 561743503 /nfs/dbraw/zinc/74/35/03/561743503.db2.gz BKAXAPFSKYIFDF-UHFFFAOYSA-N 0 3 545.171 8.140 1 0 KKAFHN CC(=O)Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953497 561746590 /nfs/dbraw/zinc/74/65/90/561746590.db2.gz NDDNITDSHULYDX-UHFFFAOYSA-N 0 3 541.479 5.615 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(C(F)(F)F)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000014953491 561746682 /nfs/dbraw/zinc/74/66/82/561746682.db2.gz IVCLCGPMDAQQDD-UHFFFAOYSA-N 0 3 552.424 6.675 1 0 KKAFHN NC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000014973005 561751728 /nfs/dbraw/zinc/75/17/28/561751728.db2.gz ZVWVNNYZOBNFFJ-UHFFFAOYSA-N 0 3 581.078 7.490 1 0 KKAFHN CCN([C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1 ZINC000014978287 561752663 /nfs/dbraw/zinc/75/26/63/561752663.db2.gz YCOQGGMZWKBBGI-SQJMNOBHSA-N 0 3 597.782 5.487 1 0 in-vitro KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CCN1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000017545679 561755935 /nfs/dbraw/zinc/75/59/35/561755935.db2.gz RUDOVWVZIBYLAA-WJOKGBTCSA-N 0 3 597.800 6.953 3 0 KKAFHN COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654988 561757767 /nfs/dbraw/zinc/75/77/67/561757767.db2.gz NDPZVFGDWNTQOK-RRPNLBNLSA-N 0 3 618.771 6.245 1 0 KKAFHN COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 ZINC000021289421 561758812 /nfs/dbraw/zinc/75/88/12/561758812.db2.gz LVEXBQONPVYXPA-UHFFFAOYSA-N 0 3 595.535 5.701 1 0 KKAFHN CO[C@H](CSc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924723 561759517 /nfs/dbraw/zinc/75/95/17/561759517.db2.gz MLTMTBFVYXFOGY-NDEPHWFRSA-N 0 3 510.694 6.302 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)c(F)c4)C[C@H]23)CC1 ZINC000022935433 561760759 /nfs/dbraw/zinc/76/07/59/561760759.db2.gz XJFGBAZCWHREIV-CMTYHFORSA-N 0 3 521.027 5.349 1 0 KKAFHN CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(-c4c(Cl)cccc4Cl)cc3cn2)CC1 ZINC000023357875 561761808 /nfs/dbraw/zinc/76/18/08/561761808.db2.gz TWGNTRGLYZCJJT-UHFFFAOYSA-N 0 3 544.531 5.573 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160938 561768590 /nfs/dbraw/zinc/76/85/90/561768590.db2.gz XOLUMIJQZDSNAE-XUZZJYLKSA-N 0 3 504.652 5.097 1 0 KKAFHN C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026165998 561769254 /nfs/dbraw/zinc/76/92/54/561769254.db2.gz YVJCKFKMZVODMS-GBXCKJPGSA-N 0 3 512.597 6.099 1 0 KKAFHN COc1ccc([C@@H](CCCCCN2CCc3cc4c(cc3C2)OCO4)Sc2ccc(C)cc2)cc1OC ZINC000026259130 561775335 /nfs/dbraw/zinc/77/53/35/561775335.db2.gz ZIDJRRPIOJNLKD-WJOKGBTCSA-N 0 3 519.707 7.193 1 0 KKAFHN COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026263064 561775826 /nfs/dbraw/zinc/77/58/26/561775826.db2.gz PZXNJBACJZRIPC-UHFFFAOYSA-N 0 3 555.675 5.500 1 0 KKAFHN COc1ccc2c(c1)CCN(CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026269368 561776828 /nfs/dbraw/zinc/77/68/28/561776828.db2.gz QBYHJXFWLJFTMH-WJOKGBTCSA-N 0 3 505.724 7.473 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CC1CCCCC1 ZINC000026274062 561777690 /nfs/dbraw/zinc/77/76/90/561777690.db2.gz NVEXGIMBAFMDOW-KYJUHHDHSA-N 0 3 563.783 5.775 1 0 KKAFHN CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026296727 561781577 /nfs/dbraw/zinc/78/15/77/561781577.db2.gz DCJXJZRHLYXSCU-ZPROFRFWSA-N 0 3 654.896 5.478 1 0 KKAFHN COc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4c(Cl)ccc34)CC1)c1ccc(Cl)n12 ZINC000026155838 561768277 /nfs/dbraw/zinc/76/82/77/561768277.db2.gz AHBKGEMXVHDMOU-UHFFFAOYSA-N 0 3 661.638 6.534 1 0 KKAFHN CCCN(C(=O)Nc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026498144 561794718 /nfs/dbraw/zinc/79/47/18/561794718.db2.gz CUXOTFRTNXVNGO-MUUNZHRXSA-N 0 3 562.780 5.890 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCCC1 ZINC000026386694 561784594 /nfs/dbraw/zinc/78/45/94/561784594.db2.gz ZVSTVGCGZDZJQW-SPIMXWGGSA-N 0 3 681.922 5.407 1 0 KKAFHN COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)cc3ccncc32)ccc1C(=O)N1CCCC1 ZINC000026399768 561788077 /nfs/dbraw/zinc/78/80/77/561788077.db2.gz WVTHZZUYDYHYEG-UHFFFAOYSA-N 0 3 524.665 5.471 1 0 KKAFHN CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026495067 561794099 /nfs/dbraw/zinc/79/40/99/561794099.db2.gz OKAYRNKUARTJKT-SSEXGKCCSA-N 0 3 620.816 5.093 1 0 KKAFHN CC(C)(Cc1ccccc1)NCc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026497037 561794523 /nfs/dbraw/zinc/79/45/23/561794523.db2.gz YVXAVPHCIKZUNF-UHFFFAOYSA-N 0 3 506.532 5.381 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(CC(=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026501913 561795675 /nfs/dbraw/zinc/79/56/75/561795675.db2.gz MWFPHTFCMXOFGJ-XMMPIXPASA-N 0 3 537.125 5.755 1 0 KKAFHN CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026503686 561796182 /nfs/dbraw/zinc/79/61/82/561796182.db2.gz CAKYRGCYMHIWJD-GDLZYMKVSA-N 0 3 539.185 6.869 1 0 KKAFHN COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026575615 561799378 /nfs/dbraw/zinc/79/93/78/561799378.db2.gz IVSRQATZVDQHTP-UHFFFAOYSA-N 0 3 692.851 7.624 1 0 KKAFHN COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026576187 561799987 /nfs/dbraw/zinc/79/99/87/561799987.db2.gz KJJPRLXHLHFGRW-UHFFFAOYSA-N 0 3 706.878 8.173 1 0 KKAFHN COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026577112 561800982 /nfs/dbraw/zinc/80/09/82/561800982.db2.gz WOHUDPBPWKPSAX-UHFFFAOYSA-N 0 3 708.919 8.093 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000026577622 561801856 /nfs/dbraw/zinc/80/18/56/561801856.db2.gz DZHOQJKKFCAFHT-VLAOEWOHSA-N 0 3 551.580 6.489 1 0 KKAFHN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCN(C)CC5)cc(C)nc34)c2Cl)cc1 ZINC000026579760 561805200 /nfs/dbraw/zinc/80/52/00/561805200.db2.gz UWHZXDTYTDZLHA-XNTDXEJSSA-N 0 3 689.644 5.333 1 0 KKAFHN CN(C[C@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026580174 561805628 /nfs/dbraw/zinc/80/56/28/561805628.db2.gz QSVIUQSRMGIJPZ-LHAPQZOASA-N 0 3 528.784 5.049 1 0 KKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000026664807 561810943 /nfs/dbraw/zinc/81/09/43/561810943.db2.gz CYORBGPGFWOAPN-IZZNHLLZSA-N 0 3 544.017 5.641 1 0 KKAFHN CC(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026665658 561811134 /nfs/dbraw/zinc/81/11/34/561811134.db2.gz ZAUVKXIKUDIRRJ-KNTLSSDESA-N 0 3 649.684 8.212 1 0 KKAFHN Cc1nc2sccn2c(=O)c1CCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026668694 561811795 /nfs/dbraw/zinc/81/17/95/561811795.db2.gz BZFNKUVKRNSKNV-AHWVRZQESA-N 0 3 523.077 5.294 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccc(F)cc3)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)CC1 ZINC000026671772 561812627 /nfs/dbraw/zinc/81/26/27/561812627.db2.gz FLHDOLQPNXOYNQ-KDXMTYKHSA-N 0 3 686.825 5.893 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026672401 561812716 /nfs/dbraw/zinc/81/27/16/561812716.db2.gz AOMZRTTZRBZOAC-VQJSHJPSSA-N 0 3 687.841 6.274 1 0 KKAFHN COc1ccc([C@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3ccccc3)C2)cc1OC ZINC000026672193 561812739 /nfs/dbraw/zinc/81/27/39/561812739.db2.gz IYGHJULMISLCJX-VQJSHJPSSA-N 0 3 674.817 7.010 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4cccnc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026717697 561814437 /nfs/dbraw/zinc/81/44/37/561814437.db2.gz AHIOIWMCDDMDRL-RWYGWLOXSA-N 0 3 687.841 6.274 1 0 KKAFHN CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 ZINC000026749527 561819451 /nfs/dbraw/zinc/81/94/51/561819451.db2.gz PLLWRXKRZRSORW-UHFFFAOYSA-N 0 3 607.824 6.088 1 0 KKAFHN O=C(c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 ZINC000026749532 561819492 /nfs/dbraw/zinc/81/94/92/561819492.db2.gz GPYAAZVGXFVYBF-UHFFFAOYSA-N 0 3 737.052 6.897 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026837949 561824867 /nfs/dbraw/zinc/82/48/67/561824867.db2.gz CPCUDQSFKDHFRK-PMERELPUSA-N 0 3 603.854 6.454 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2F)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026943895 561828345 /nfs/dbraw/zinc/82/83/45/561828345.db2.gz DWVJIELBHVRVSO-PMERELPUSA-N 0 3 581.696 5.314 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2F)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026943895 561828346 /nfs/dbraw/zinc/82/83/46/561828346.db2.gz DWVJIELBHVRVSO-PMERELPUSA-N 0 3 581.696 5.314 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026947060 561828564 /nfs/dbraw/zinc/82/85/64/561828564.db2.gz BQEAZZBXJXWMPD-PMERELPUSA-N 0 3 563.706 5.175 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026947060 561828565 /nfs/dbraw/zinc/82/85/65/561828565.db2.gz BQEAZZBXJXWMPD-PMERELPUSA-N 0 3 563.706 5.175 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 ZINC000026966889 561830073 /nfs/dbraw/zinc/83/00/73/561830073.db2.gz ZNXPJTFTPLLCKK-RUZDIDTESA-N 0 3 559.585 5.799 1 0 KKAFHN COc1ccc([S@](=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 ZINC000027095360 561837878 /nfs/dbraw/zinc/83/78/78/561837878.db2.gz RECCLQSOJLZNGQ-URMZLOQMSA-N 0 3 616.824 6.164 1 0 KKAFHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccc(Br)cc1)c1ccc(I)cc1)N2C ZINC000027207720 561846284 /nfs/dbraw/zinc/84/62/84/561846284.db2.gz BHKDMCGCJODKJK-WIYBCGNWSA-N 0 3 570.265 5.184 1 0 KKAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccc(Br)cc1)c1ccc(I)cc1)N2C ZINC000027207716 561846290 /nfs/dbraw/zinc/84/62/90/561846290.db2.gz BHKDMCGCJODKJK-PPGORRQASA-N 0 3 570.265 5.184 1 0 KKAFHN CCCN(Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000027320197 561852462 /nfs/dbraw/zinc/85/24/62/561852462.db2.gz GQZQNFXJPOBBDE-UHFFFAOYSA-N 0 3 606.144 7.815 1 0 KKAFHN CC(=O)O[C@@H]1C[C@H]2C(C)(C)/C(=N/OCCN3CCCC3)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412539 561856540 /nfs/dbraw/zinc/85/65/40/561856540.db2.gz ATEHWGPRICGPOU-PYONYFCHSA-N 0 3 548.768 7.138 1 0 KKAFHN CC[NH+](CC)CCOc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000027416767 561857151 /nfs/dbraw/zinc/85/71/51/561857151.db2.gz HVWJVGHTKLDAGJ-XIFFEERXSA-N 0 3 573.697 5.750 1 0 KKAFHN COc1cc(CN2CCN([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)[C@@H](Cc3ccccc3)C2)cc(OC)c1OC ZINC000027441937 561860793 /nfs/dbraw/zinc/86/07/93/561860793.db2.gz ONJMXWFIKVVLCT-LQJZCPKCSA-N 0 3 702.736 8.437 1 0 KKAFHN O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520238 561863426 /nfs/dbraw/zinc/86/34/26/561863426.db2.gz XYXHIWPGWLEQOL-OAQYLSRUSA-N 0 3 596.601 5.251 1 0 KKAFHN O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520238 561863429 /nfs/dbraw/zinc/86/34/29/561863429.db2.gz XYXHIWPGWLEQOL-OAQYLSRUSA-N 0 3 596.601 5.251 1 0 KKAFHN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547504 561867251 /nfs/dbraw/zinc/86/72/51/561867251.db2.gz HBQUUZVSFQDTPW-WJOKGBTCSA-N 0 3 555.744 6.949 1 0 KKAFHN CCCN(C(=O)[C@H](C)C1(OC(=O)CC)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027555079 561869358 /nfs/dbraw/zinc/86/93/58/561869358.db2.gz YBHLXOUBLDFNAH-QFIPXVFZSA-N 0 3 515.094 5.758 1 0 KKAFHN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(C3CCCC3)CC2)n1 ZINC000027633919 561874120 /nfs/dbraw/zinc/87/41/20/561874120.db2.gz GQHUTLHEBZVCAN-UHFFFAOYSA-N 0 3 550.151 5.019 1 0 KKAFHN Cc1ncc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c1OC(C)(C)OC2 ZINC000027657260 561878084 /nfs/dbraw/zinc/87/80/84/561878084.db2.gz AJDNKNBOMNPMDU-WUKNDPDISA-N 0 3 554.735 5.352 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(C)C)cc3)cc1)CC2 ZINC000027657792 561878259 /nfs/dbraw/zinc/87/82/59/561878259.db2.gz IHWSOHYQIOIGLP-UHFFFAOYSA-N 0 3 577.725 6.933 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cc4ccccc4cn3)cc1)CC2 ZINC000027705430 561878630 /nfs/dbraw/zinc/87/86/30/561878630.db2.gz HTCMDXXNHXLPRD-UHFFFAOYSA-N 0 3 586.692 6.357 1 0 KKAFHN O=C(c1c2ccccc2sc1-c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCOCC2)cc1 ZINC000027732387 561881390 /nfs/dbraw/zinc/88/13/90/561881390.db2.gz SDGLFROMTUFTNB-UHFFFAOYSA-N 0 3 556.728 5.985 1 0 KKAFHN COc1ccc([C@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736170 561881864 /nfs/dbraw/zinc/88/18/64/561881864.db2.gz AEKRAIGQUFARMX-IZZNHLLZSA-N 0 3 508.615 5.110 1 0 KKAFHN c1ccc2c(c1)[nH]c1c2CCN(c2ncc(-c3ccc(OCCN4CCCC4)cc3)cn2)[C@@H]1c1ccc2c(c1)CCO2 ZINC000027868598 561887986 /nfs/dbraw/zinc/88/79/86/561887986.db2.gz ARHUEIJTBOZVJC-UUWRZZSWSA-N 0 3 557.698 6.187 1 0 KKAFHN COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)CCCCc3ccccc3)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000027877261 561888745 /nfs/dbraw/zinc/88/87/45/561888745.db2.gz VXQKXTHFVVRBPP-JTSJOTPCSA-N 0 3 582.663 6.273 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027999409 561894424 /nfs/dbraw/zinc/89/44/24/561894424.db2.gz ZJBAWYDJMNVFNG-XIFFEERXSA-N 0 3 655.579 5.715 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028011326 561896426 /nfs/dbraw/zinc/89/64/26/561896426.db2.gz SFZUCFWFYJJCGY-RJISLUCMSA-N 0 3 576.785 7.158 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028011326 561896428 /nfs/dbraw/zinc/89/64/28/561896428.db2.gz SFZUCFWFYJJCGY-RJISLUCMSA-N 0 3 576.785 7.158 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 ZINC000028011899 561896539 /nfs/dbraw/zinc/89/65/39/561896539.db2.gz KYMFFPXQUJYRLZ-DEIXXNFJSA-N 0 3 622.776 6.965 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 ZINC000028011899 561896541 /nfs/dbraw/zinc/89/65/41/561896541.db2.gz KYMFFPXQUJYRLZ-DEIXXNFJSA-N 0 3 622.776 6.965 1 0 KKAFHN Cc1sc2cc(Cl)cc(Cl)c2c1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000028109727 561902908 /nfs/dbraw/zinc/90/29/08/561902908.db2.gz COIOGAJPPKWJFQ-UHFFFAOYSA-N 0 3 507.468 5.275 1 0 KKAFHN COc1ccc(CCN(CC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(N)=O)C(=O)CNCCC(c2ccccc2)c2ccccc2)cc1 ZINC000028116584 561903734 /nfs/dbraw/zinc/90/37/34/561903734.db2.gz XQHXETWMDFKCEW-UHFFFAOYSA-N 0 3 710.919 6.414 1 0 KKAFHN CN(C)CCOC(=O)CCCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000028128078 561905261 /nfs/dbraw/zinc/90/52/61/561905261.db2.gz USNDHZKEPOBCSD-UHFFFAOYSA-N 0 3 554.478 5.473 1 0 KKAFHN CN(C)c1nc(NCC2CCC(CN(C)Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028134008 561906333 /nfs/dbraw/zinc/90/63/33/561906333.db2.gz KSWFHJFVFLWBLC-UHFFFAOYSA-N 0 3 580.493 6.707 1 0 KKAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)COc2ccc(C(C)(C)C)cc2)C1)[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000028136667 561906786 /nfs/dbraw/zinc/90/67/86/561906786.db2.gz SXVLTSDSQOWRHK-IZLXSDGUSA-N 0 3 569.190 5.308 1 0 KKAFHN CCCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028330477 561912718 /nfs/dbraw/zinc/91/27/18/561912718.db2.gz FVWCNIKFUOASRR-UHFFFAOYSA-N 0 3 522.851 8.320 1 0 KKAFHN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234198 561909543 /nfs/dbraw/zinc/90/95/43/561909543.db2.gz CUHYWMPQBBEVBL-MLKSZZLFSA-N 0 3 534.638 6.374 1 0 KKAFHN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234198 561909545 /nfs/dbraw/zinc/90/95/45/561909545.db2.gz CUHYWMPQBBEVBL-MLKSZZLFSA-N 0 3 534.638 6.374 1 0 KKAFHN CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCN(C4CCCCC4)CC3)c2)cc1C(F)(F)F ZINC000028347997 561915180 /nfs/dbraw/zinc/91/51/80/561915180.db2.gz XJEHHKSYPTUVIL-UHFFFAOYSA-N 0 3 539.711 8.497 1 0 KKAFHN O[C@@H](CNc1ccc(Cl)c(Cl)c1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028364279 561917211 /nfs/dbraw/zinc/91/72/11/561917211.db2.gz YXZQRYUXEJHIIZ-SANMLTNESA-N 0 3 548.505 6.274 1 0 KKAFHN O=C(CCCN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028375735 561919246 /nfs/dbraw/zinc/91/92/46/561919246.db2.gz BGIMAXGIMFDFBM-UHFFFAOYSA-N 0 3 699.239 8.393 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000028391897 561922376 /nfs/dbraw/zinc/92/23/76/561922376.db2.gz XGJNWLZYRWFKRA-QHCPKHFHSA-N 0 3 529.483 6.362 1 0 KKAFHN COC(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028397481 561923295 /nfs/dbraw/zinc/92/32/95/561923295.db2.gz WEHXYCJSKSNRKW-UHFFFAOYSA-N 0 3 532.002 6.192 1 0 KKAFHN COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@H]3CNCCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028461222 561925280 /nfs/dbraw/zinc/92/52/80/561925280.db2.gz HZMVJLWFSIUIPU-KCWXNJEJSA-N 0 3 622.166 5.101 1 0 KKAFHN Cc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c(Cl)c1 ZINC000028472874 561927247 /nfs/dbraw/zinc/92/72/47/561927247.db2.gz FFGXUVZDLUDJMS-DEOSSOPVSA-N 0 3 531.937 5.545 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc(F)cc3)cs2)cc1 ZINC000028525206 561931164 /nfs/dbraw/zinc/93/11/64/561931164.db2.gz CPGYVAKLGMDWEA-YTTGMZPUSA-N 0 3 601.769 6.130 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)C1=O ZINC000028526256 561931990 /nfs/dbraw/zinc/93/19/90/561931990.db2.gz LTBDUUVNJFIMTM-RWYGWLOXSA-N 0 3 743.909 5.268 1 0 KKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc12 ZINC000028570716 561938974 /nfs/dbraw/zinc/93/89/74/561938974.db2.gz FCYYWOZROBLFFV-UHFFFAOYSA-N 0 3 506.572 6.479 1 0 KKAFHN C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568944 561937650 /nfs/dbraw/zinc/93/76/50/561937650.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 0 3 515.673 5.343 1 0 KKAFHN C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[N@H+](CCC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568944 561937652 /nfs/dbraw/zinc/93/76/52/561937652.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 0 3 515.673 5.343 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4cccc(F)c4)C[C@H]23)CC1 ZINC000028572268 561939935 /nfs/dbraw/zinc/93/99/35/561939935.db2.gz HZZAYXBBVGQYQB-DFZDUAMZSA-N 0 3 536.589 5.575 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646333 561945128 /nfs/dbraw/zinc/94/51/28/561945128.db2.gz DRSLEYLXVNRDKA-UMSFTDKQSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646373 561945146 /nfs/dbraw/zinc/94/51/46/561945146.db2.gz OSBBNXANCGTXBW-UMSFTDKQSA-N 0 3 546.750 5.949 1 0 KKAFHN CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028635405 561941010 /nfs/dbraw/zinc/94/10/10/561941010.db2.gz KNCIAPXAOKJOKJ-GDLZYMKVSA-N 0 3 534.708 5.293 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(Br)cc1 ZINC000028635408 561941013 /nfs/dbraw/zinc/94/10/13/561941013.db2.gz XQLDKPBHSNVITF-AREMUKBSSA-N 0 3 571.523 5.298 1 0 KKAFHN O=C(CCOc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000028637614 561941804 /nfs/dbraw/zinc/94/18/04/561941804.db2.gz XQNXEBIMAZOJIM-UHFFFAOYSA-N 0 3 519.089 6.806 1 0 KKAFHN Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000028642609 561943593 /nfs/dbraw/zinc/94/35/93/561943593.db2.gz HGFXSKQDBRUULO-UHFFFAOYSA-N 0 3 526.710 5.429 1 0 KKAFHN Cc1cccc(NC(=O)N(C)Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000028642609 561943595 /nfs/dbraw/zinc/94/35/95/561943595.db2.gz HGFXSKQDBRUULO-UHFFFAOYSA-N 0 3 526.710 5.429 1 0 KKAFHN Cc1ccc(-c2ccccc2CCCN2CCN(C[C@@H](c3ccc(F)cc3)N3CCN(C(C)C)CC3)CC2)cc1 ZINC000028646392 561945347 /nfs/dbraw/zinc/94/53/47/561945347.db2.gz UMURJMSMTSOEKN-DHUJRADRSA-N 0 3 542.787 6.119 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(N(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646433 561945386 /nfs/dbraw/zinc/94/53/86/561945386.db2.gz QAHPGFWCLSTEMJ-PSXMRANNSA-N 0 3 571.829 5.876 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2cccc(Br)c2)CC1 ZINC000028646207 561944931 /nfs/dbraw/zinc/94/49/31/561944931.db2.gz NTBLOUVNUSNVNG-WJOKGBTCSA-N 0 3 549.601 5.531 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(Br)cc2)CC1 ZINC000028646213 561944999 /nfs/dbraw/zinc/94/49/99/561944999.db2.gz FCNCDDRBEIHYQX-WJOKGBTCSA-N 0 3 549.601 5.531 1 0 KKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000028710181 561951135 /nfs/dbraw/zinc/95/11/35/561951135.db2.gz INMZLZRTJQLJQQ-UHFFFAOYSA-N 0 3 527.709 5.211 1 0 KKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000028710189 561951151 /nfs/dbraw/zinc/95/11/51/561951151.db2.gz BMVZQYRVHRLKTR-UHFFFAOYSA-N 0 3 507.694 5.926 1 0 KKAFHN O=C(Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000028702807 561947290 /nfs/dbraw/zinc/94/72/90/561947290.db2.gz VBEHDKBVXALMGR-MUUNZHRXSA-N 0 3 674.711 8.103 1 0 KKAFHN CN(C)C(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702813 561947314 /nfs/dbraw/zinc/94/73/14/561947314.db2.gz ZLTZAEOIQWFTMQ-XMMPIXPASA-N 0 3 641.682 6.944 1 0 KKAFHN O=C(OCCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028704238 561948360 /nfs/dbraw/zinc/94/83/60/561948360.db2.gz TZFFDBICDWTCQG-SANMLTNESA-N 0 3 560.160 5.717 1 0 KKAFHN O=C1N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1[C@H]1CCCc2ccccc21 ZINC000028704485 561948546 /nfs/dbraw/zinc/94/85/46/561948546.db2.gz BAFGXZMFFXRBQV-HKBQPEDESA-N 0 3 563.677 5.888 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cncnc5)cc4)CC3)C2=O)c1 ZINC000028704494 561948572 /nfs/dbraw/zinc/94/85/72/561948572.db2.gz CTXRHMHOCAVELO-UHFFFAOYSA-N 0 3 551.622 5.295 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cnccc5OC)cc4)CC3)C2=O)c1 ZINC000028704512 561948684 /nfs/dbraw/zinc/94/86/84/561948684.db2.gz IIFWQQSTZJCTCC-UHFFFAOYSA-N 0 3 580.660 5.909 1 0 KKAFHN O=C(NCCC1CCN(c2ccncc2)CC1)c1nn(-c2ccccc2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711994 561952556 /nfs/dbraw/zinc/95/25/56/561952556.db2.gz QNXJFBIMEJJSSL-UHFFFAOYSA-N 0 3 607.940 5.972 1 0 KKAFHN CCOc1ccc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)cc1CN(CC)CC ZINC000028759368 561957586 /nfs/dbraw/zinc/95/75/86/561957586.db2.gz NOJVBTINKRABNL-UHFFFAOYSA-N 0 3 554.526 7.266 1 0 KKAFHN COc1ccc(CNCc2cc3c(C)c(C)[nH]c(=O)c3c3c2nc(Nc2c(Cl)cccc2Cl)n3C)cc1 ZINC000028765501 561959542 /nfs/dbraw/zinc/95/95/42/561959542.db2.gz CABKXSSPRMCOHF-UHFFFAOYSA-N 0 3 536.463 6.380 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816349 561964132 /nfs/dbraw/zinc/96/41/32/561964132.db2.gz QRSZJGGQSYYERE-GSFSDPDBSA-N 0 3 680.933 9.994 1 0 KKAFHN O=C(OC[C@H]1CCC[C@@H](c2ccccc2F)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028816506 561964247 /nfs/dbraw/zinc/96/42/47/561964247.db2.gz PIUIWUNTOBSJLS-YWEHKCAJSA-N 0 3 578.150 5.851 1 0 KKAFHN Cc1cc(COc2ccc(S(=O)(=O)C[C@H](CC3CC[NH+](C(C)(C)C)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000028816860 561964387 /nfs/dbraw/zinc/96/43/87/561964387.db2.gz BUDIJDXJWOVXRJ-VWLOTQADSA-N 0 3 553.725 5.013 1 0 KKAFHN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(CCCc2ccccc2)C1 ZINC000028818473 561965221 /nfs/dbraw/zinc/96/52/21/561965221.db2.gz JPJXVZBGYBEWQN-UIOOFZCWSA-N 0 3 576.166 5.784 1 0 KKAFHN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCOc2ccc(-c4nnn[n-]4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823045 561967891 /nfs/dbraw/zinc/96/78/91/561967891.db2.gz PJOOYZYPULECSK-HSZRJFAPSA-N 0 3 675.731 6.536 1 0 KKAFHN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCOc2ccc(-c4nn[n-]n4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823045 561967892 /nfs/dbraw/zinc/96/78/92/561967892.db2.gz PJOOYZYPULECSK-HSZRJFAPSA-N 0 3 675.731 6.536 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823892 561968556 /nfs/dbraw/zinc/96/85/56/561968556.db2.gz YXPCHDOWVWAKKP-AZGAKELHSA-N 0 3 599.525 5.940 1 0 KKAFHN [O-]c1cc(Nc2ccnc3cc(-c4cccc(C[NH2+]CCN5CCOCC5)c4)ccc32)c(F)cc1Cl ZINC000028823951 561968712 /nfs/dbraw/zinc/96/87/12/561968712.db2.gz KWEPTXFPNVUYJW-UHFFFAOYSA-N 0 3 507.009 5.565 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824065 561968828 /nfs/dbraw/zinc/96/88/28/561968828.db2.gz FCQOEQSBNULOKQ-JBOQNHBVSA-N 0 3 627.151 6.609 1 0 KKAFHN C[C@@H](NCCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824127 561968989 /nfs/dbraw/zinc/96/89/89/561968989.db2.gz NHPJKBQBCRAMLO-OAQYLSRUSA-N 0 3 520.077 5.847 1 0 KKAFHN COC(=O)c1oc2cc(F)ccc2c1C1CCN(C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824379 561969535 /nfs/dbraw/zinc/96/95/35/561969535.db2.gz KHQBPFWJMSVKLA-DEOSSOPVSA-N 0 3 642.650 5.386 1 0 KKAFHN COC(=O)c1sc2cc(F)ccc2c1C1CCN(C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824381 561969549 /nfs/dbraw/zinc/96/95/49/561969549.db2.gz WGUZZROGPWEHAR-XMMPIXPASA-N 0 3 658.718 5.854 1 0 KKAFHN COCCN1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825265 561970698 /nfs/dbraw/zinc/97/06/98/561970698.db2.gz LZSYWPOCNPXNQG-UHFFFAOYSA-N 0 3 565.114 6.027 1 0 KKAFHN O=C(OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1 ZINC000028879526 561976429 /nfs/dbraw/zinc/97/64/29/561976429.db2.gz HSJXMFJMCVMAKI-VSGBNLITSA-N 0 3 640.168 6.628 1 0 KKAFHN COc1ccccc1N1CCN(CCc2cccc(OCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873107 561974786 /nfs/dbraw/zinc/97/47/86/561974786.db2.gz QEXXYGNBTIMULY-UHFFFAOYSA-N 0 3 650.864 5.891 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CCN(C)Cc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874813 561975259 /nfs/dbraw/zinc/97/52/59/561975259.db2.gz XVXQCAYRXMTFHP-UUWRZZSWSA-N 0 3 584.805 6.383 1 0 KKAFHN O=C(OC[C@@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028879097 561976151 /nfs/dbraw/zinc/97/61/51/561976151.db2.gz ZIKGOADCTDQKTA-XTEPFMGCSA-N 0 3 596.140 5.990 1 0 KKAFHN O=C(NCc1ccc(CNCc2ccc3ccccc3c2)cc1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967563 561985389 /nfs/dbraw/zinc/98/53/89/561985389.db2.gz VVKAQCHOXVGFCE-UHFFFAOYSA-N 0 3 562.739 7.188 1 0 KKAFHN COc1ccc(NC(=O)[C@@H](NC2CCCCC2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976236 561986776 /nfs/dbraw/zinc/98/67/76/561986776.db2.gz AAUVEKTZXPAQPR-NDEPHWFRSA-N 0 3 528.678 6.347 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028977882 561987507 /nfs/dbraw/zinc/98/75/07/561987507.db2.gz RJPIWPXFPIJADI-PMERELPUSA-N 0 3 575.717 5.220 1 0 KKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)nc2n1 ZINC000028980046 561988442 /nfs/dbraw/zinc/98/84/42/561988442.db2.gz LQOQPLJMWKFALQ-UHFFFAOYSA-N 0 3 505.647 6.026 1 0 KKAFHN CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC000029040895 561990790 /nfs/dbraw/zinc/99/07/90/561990790.db2.gz NEWOCKYIUSCKBX-UHFFFAOYSA-N 0 3 524.496 6.081 1 0 KKAFHN CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2cc(F)c(F)cc2F)CC1 ZINC000029042847 561991590 /nfs/dbraw/zinc/99/15/90/561991590.db2.gz FCROUWTVYBCUMB-FVVBACEJSA-N 0 3 578.119 6.565 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4c(C)noc4C)c3=O)CC2)C(C)C)c1 ZINC000029061759 561995856 /nfs/dbraw/zinc/99/58/56/561995856.db2.gz DNWBVIHRXCWTCQ-SSEXGKCCSA-N 0 3 546.712 5.904 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ncsn4)c3=O)CC2)C(C)C)c1 ZINC000029062175 561995858 /nfs/dbraw/zinc/99/58/58/561995858.db2.gz QEALVBRJCBVLMA-SANMLTNESA-N 0 3 535.714 5.150 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ccccn4)c3=O)CC2)C(C)C)c1 ZINC000029062395 561996025 /nfs/dbraw/zinc/99/60/25/561996025.db2.gz QRYCCXDCLNDSPJ-SSEXGKCCSA-N 0 3 528.697 5.694 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ccccn4)c3=O)CC2)C(C)C)c1 ZINC000029062389 561996077 /nfs/dbraw/zinc/99/60/77/561996077.db2.gz QRYCCXDCLNDSPJ-PMERELPUSA-N 0 3 528.697 5.694 1 0 KKAFHN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCCC3)C2)cc1 ZINC000029128214 562000708 /nfs/dbraw/zinc/00/07/08/562000708.db2.gz DJIPAQKYTMAKDS-HKBQPEDESA-N 0 3 548.728 5.425 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)CCc4ccc(F)c(F)c4)cc3oc2=O)cc1 ZINC000029131496 562003219 /nfs/dbraw/zinc/00/32/19/562003219.db2.gz QTSCLJVLMGAFJO-UHFFFAOYSA-N 0 3 596.674 6.888 1 0 KKAFHN CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(-c2ccc(C(F)(F)F)cc2)c(CC)[nH+]1 ZINC000029226083 562008198 /nfs/dbraw/zinc/00/81/98/562008198.db2.gz GJNMDGJJLJMTDU-UHFFFAOYSA-N 0 3 528.582 7.351 1 0 KKAFHN CCc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(-c2ccc(C(F)(F)F)cc2)c(CC)[nH+]1 ZINC000029226083 562008199 /nfs/dbraw/zinc/00/81/99/562008199.db2.gz GJNMDGJJLJMTDU-UHFFFAOYSA-N 0 3 528.582 7.351 1 0 KKAFHN O=C(c1ccc2oc(CN3CCCC[C@H]3Cn3cc(C(F)(F)F)ccc3=O)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029213161 562005993 /nfs/dbraw/zinc/00/59/93/562005993.db2.gz NLUGILSLRFHNCM-NDEPHWFRSA-N 0 3 648.682 6.429 1 0 KKAFHN O=C(c1ccc2oc(CN3CCC(n4cc(C(F)(F)F)ccc4=O)CC3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029213317 562006187 /nfs/dbraw/zinc/00/61/87/562006187.db2.gz HAOPKRIOLHXGOQ-UHFFFAOYSA-N 0 3 634.655 6.212 1 0 KKAFHN CCOc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029328206 562013665 /nfs/dbraw/zinc/01/36/65/562013665.db2.gz IXHHUENDPWGBBM-XMMPIXPASA-N 0 3 532.493 6.229 1 0 KKAFHN Brc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000029346898 562016351 /nfs/dbraw/zinc/01/63/51/562016351.db2.gz DKLLAAOIWFKPBT-UHFFFAOYSA-N 0 3 571.401 6.469 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470945 562025566 /nfs/dbraw/zinc/02/55/66/562025566.db2.gz QWLVQDXAULJUAE-MWWYDIPRSA-N 0 3 708.003 5.437 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@]2(SC)Sc3ccccc3N(C)C2=O)c1 ZINC000029556321 562032181 /nfs/dbraw/zinc/03/21/81/562032181.db2.gz SPFGPGBVMIWKQQ-PMERELPUSA-N 0 3 582.744 5.488 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@]2(C)Sc3ccccc3N(C)C2=O)c1 ZINC000029556398 562032201 /nfs/dbraw/zinc/03/22/01/562032201.db2.gz MMLGLMNYHUOLBO-SSEXGKCCSA-N 0 3 550.677 5.188 1 0 KKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCN(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000029562658 562033571 /nfs/dbraw/zinc/03/35/71/562033571.db2.gz NUJYKVDVUYYGQC-UHFFFAOYSA-N 0 3 547.722 6.802 1 0 KKAFHN CN(c1nc2ccccc2n1Cc1ccc(Br)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000029566411 562034513 /nfs/dbraw/zinc/03/45/13/562034513.db2.gz XKUGGSUSSNOZJG-UHFFFAOYSA-N 0 3 503.488 5.990 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 562037614 /nfs/dbraw/zinc/03/76/14/562037614.db2.gz PEOZESLDPFYTRU-WYMJOSIYSA-N 0 3 504.650 5.012 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 562037616 /nfs/dbraw/zinc/03/76/16/562037616.db2.gz PEOZESLDPFYTRU-WYMJOSIYSA-N 0 3 504.650 5.012 1 0 KKAFHN CCC(=O)N[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1 ZINC000034326550 562038720 /nfs/dbraw/zinc/03/87/20/562038720.db2.gz OVKFQKXVHAJHEJ-XORNHQRDSA-N 0 3 502.499 5.976 1 0 KKAFHN O=S(=O)(CCCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)o1)c1ccccc1 ZINC000034800089 562040798 /nfs/dbraw/zinc/04/07/98/562040798.db2.gz SOFMGJHORUKREC-UHFFFAOYSA-N 0 3 653.204 8.210 1 0 KKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc2cc(CN3CCC(O)CC3)cnc21 ZINC000034892325 562044043 /nfs/dbraw/zinc/04/40/43/562044043.db2.gz DOSLTOINSAMWEA-UHFFFAOYSA-N 0 3 517.054 5.332 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000036285762 562054474 /nfs/dbraw/zinc/05/44/74/562054474.db2.gz CKYBCMOIKHZIMK-SBUREZEXSA-N 0 3 530.462 6.586 1 0 KKAFHN COc1cc(OC)c(OC)cc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285888 562054497 /nfs/dbraw/zinc/05/44/97/562054497.db2.gz LXNDVQBLBLFJSL-QFIPXVFZSA-N 0 3 537.623 5.059 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc(Cl)c2Cl)CC1 ZINC000036285848 562054501 /nfs/dbraw/zinc/05/45/01/562054501.db2.gz RNBXTYRRDCHFDP-IBGZPJMESA-N 0 3 518.407 5.786 1 0 KKAFHN Cc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285929 562054551 /nfs/dbraw/zinc/05/45/51/562054551.db2.gz XXXMEESVGWHJSN-DVECYGJZSA-N 0 3 510.044 6.241 1 0 KKAFHN CN(C[C@@H](CCN1CC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322395 562055245 /nfs/dbraw/zinc/05/52/45/562055245.db2.gz FPXIRXAXVYUYRD-PKTZIBPZSA-N 0 3 537.491 6.242 1 0 KKAFHN CN(C[C@@H](CCN1CCC[C@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322408 562055268 /nfs/dbraw/zinc/05/52/68/562055268.db2.gz BCMOURGLNMDTBL-RPBOFIJWSA-N 0 3 565.545 7.022 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCCC5)c4)C[C@H]23)CC1 ZINC000036351558 562058570 /nfs/dbraw/zinc/05/85/70/562058570.db2.gz MWHZSDYFOZVOAE-XOPMNVLASA-N 0 3 554.154 5.671 1 0 KKAFHN COc1ccc([C@H]2C=CCN(CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388578 562060317 /nfs/dbraw/zinc/06/03/17/562060317.db2.gz PMFCRKQEBIMFMP-CZNDPXEESA-N 0 3 526.696 6.968 1 0 KKAFHN COc1ccc([C@@H]2C=CCN(CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388574 562060376 /nfs/dbraw/zinc/06/03/76/562060376.db2.gz PMFCRKQEBIMFMP-JHOUSYSJSA-N 0 3 526.696 6.968 1 0 KKAFHN CNCC(=O)Nc1c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2oc1C(=O)C(C)(C)C ZINC000036414773 562060548 /nfs/dbraw/zinc/06/05/48/562060548.db2.gz REQGHDPBBUSDDM-UHFFFAOYSA-N 0 3 510.421 6.855 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NCCN3CCCCC3)ncc2c1 ZINC000036758594 562061446 /nfs/dbraw/zinc/06/14/46/562061446.db2.gz NSOPDMYYXBLFIE-UHFFFAOYSA-N 0 3 547.625 7.083 1 0 KKAFHN COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CCN1C)Oc1cc(ccc1O)O[C@@H]3N(C)CC2 ZINC000038139373 562062556 /nfs/dbraw/zinc/06/25/56/562062556.db2.gz ZFVQCIZYTMRXPL-CYFIQEHSSA-N 0 3 596.680 6.350 1 0 in-vitro KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(Nc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156572 562068423 /nfs/dbraw/zinc/06/84/23/562068423.db2.gz AQKXSWOKSKKJQI-UHFFFAOYSA-N 0 3 549.518 5.691 1 0 KKAFHN CC(C)CCN1[C@@H](C)CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150643 562066465 /nfs/dbraw/zinc/06/64/65/562066465.db2.gz KQBOOGKXOGILHG-RNCAPKPVSA-N 0 3 536.713 5.564 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CNCCN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000038281844 562070818 /nfs/dbraw/zinc/07/08/18/562070818.db2.gz PROHJUHXAXRWJW-UHFFFAOYSA-N 0 3 535.136 5.632 1 0 KKAFHN CN(C)C(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040504958 562077637 /nfs/dbraw/zinc/07/76/37/562077637.db2.gz PVCXTBKJFJWAJP-UHFFFAOYSA-N 0 3 508.609 5.084 1 0 KKAFHN O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 ZINC000040567240 562078124 /nfs/dbraw/zinc/07/81/24/562078124.db2.gz OEQCBZMNIVNUIK-GOSISDBHSA-N 0 3 517.375 6.277 1 0 KKAFHN CCOC(=O)c1cccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040639751 562078661 /nfs/dbraw/zinc/07/86/61/562078661.db2.gz DTNAMCITZPAGAG-UHFFFAOYSA-N 0 3 509.593 5.559 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CC[C@@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040791358 562079815 /nfs/dbraw/zinc/07/98/15/562079815.db2.gz YTOSPVJBQKTTEV-QFIPXVFZSA-N 0 3 509.593 5.593 1 0 KKAFHN CCN(C(=O)Oc1ccc(Cl)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040865899 562081310 /nfs/dbraw/zinc/08/13/10/562081310.db2.gz TUKDLWNHHAZMOP-ZBLYBZFDSA-N 0 3 512.094 6.061 1 0 KKAFHN CCN(C(=O)Oc1ccc(Cl)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040865897 562081347 /nfs/dbraw/zinc/08/13/47/562081347.db2.gz TUKDLWNHHAZMOP-IDISGSTGSA-N 0 3 512.094 6.061 1 0 KKAFHN CS(=O)(=O)c1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040892618 562082925 /nfs/dbraw/zinc/08/29/25/562082925.db2.gz RCFINIDYFAQFJK-UHFFFAOYSA-N 0 3 507.627 5.445 1 0 KKAFHN COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1 ZINC000040898069 562083131 /nfs/dbraw/zinc/08/31/31/562083131.db2.gz FZGJOQIUVBVNBJ-RUZDIDTESA-N 0 3 517.551 6.285 1 0 KKAFHN CC(C)(C)OC(=O)N1CCC(CCCN2CCC(n3c4ccccc4[nH]c3=O)CC2)(c2ccccc2)CC1 ZINC000040956802 562086738 /nfs/dbraw/zinc/08/67/38/562086738.db2.gz RVPAZHRBJKDRHU-UHFFFAOYSA-N 0 3 518.702 5.716 1 0 KKAFHN O=C(NCCN1CCCCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(=O)cccc3[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042803634 562088329 /nfs/dbraw/zinc/08/83/29/562088329.db2.gz NILBOLZUFRHFHT-FVRFUWMBSA-N 0 3 630.214 5.063 1 0 KKAFHN CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090204 /nfs/dbraw/zinc/09/02/04/562090204.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 0 3 554.779 6.101 1 0 KKAFHN CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090205 /nfs/dbraw/zinc/09/02/05/562090205.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 0 3 554.779 6.101 1 0 KKAFHN CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090206 /nfs/dbraw/zinc/09/02/06/562090206.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 0 3 554.779 6.101 1 0 KKAFHN CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090207 /nfs/dbraw/zinc/09/02/07/562090207.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 0 3 554.779 6.101 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1CO)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043024500 562645039 /nfs/dbraw/zinc/64/50/39/562645039.db2.gz UUVJAPHKXSSWSL-UHFFFAOYSA-N 0 3 506.956 5.428 1 0 KKAFHN O=C(N[C@H](Cn1cccn1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043060020 562645143 /nfs/dbraw/zinc/64/51/43/562645143.db2.gz TZAVEMGJPFYKKA-HHHXNRCGSA-N 0 3 536.602 5.398 1 0 KKAFHN O=C(N[C@@H](Cn1cccn1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043060022 562645180 /nfs/dbraw/zinc/64/51/80/562645180.db2.gz TZAVEMGJPFYKKA-MHZLTWQESA-N 0 3 536.602 5.398 1 0 KKAFHN Cc1nccn1C[C@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043070415 562645526 /nfs/dbraw/zinc/64/55/26/562645526.db2.gz DSZJLBHBEBATRS-LJAQVGFWSA-N 0 3 549.641 6.161 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(NC5CCN(C)CC5)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000043152533 562646376 /nfs/dbraw/zinc/64/63/76/562646376.db2.gz VPGSHWKKZVAVBK-LJQANCHMSA-N 0 3 587.149 6.547 1 0 KKAFHN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043967619 562651336 /nfs/dbraw/zinc/65/13/36/562651336.db2.gz FXOJKPLALHHTKM-YTTGMZPUSA-N 0 3 555.744 6.555 1 0 KKAFHN Cc1cc(C)c2c(n[nH]c2OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n1 ZINC000044350726 562654352 /nfs/dbraw/zinc/65/43/52/562654352.db2.gz UIUZIKMYVPKHET-UHFFFAOYSA-N 0 3 593.093 8.350 1 0 KKAFHN CCCCN(CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044360418 562655589 /nfs/dbraw/zinc/65/55/89/562655589.db2.gz JGDYMCMQFALNLD-JSOSNVBQSA-N 0 3 576.653 7.235 1 0 KKAFHN Cc1ccc(/C=C/C(=O)NCCCCCN2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045186789 562658205 /nfs/dbraw/zinc/65/82/05/562658205.db2.gz JILZHXGMAZCRAB-JLHYYAGUSA-N 0 3 517.501 5.841 1 0 KKAFHN COc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000045186911 562658221 /nfs/dbraw/zinc/65/82/21/562658221.db2.gz PZZXCELLGRNGTN-UHFFFAOYSA-N 0 3 524.636 6.823 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045190154 562658450 /nfs/dbraw/zinc/65/84/50/562658450.db2.gz MEJKIBRHTNWGNT-YTTGMZPUSA-N 0 3 518.721 5.133 1 0 KKAFHN CCCCCN1CCCC[C@@H](NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045191191 562658554 /nfs/dbraw/zinc/65/85/54/562658554.db2.gz JXHFQTBGHGKBPZ-JOCHJYFZSA-N 0 3 511.610 5.281 1 0 KKAFHN COc1cc(Br)c(NC(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC ZINC000045192757 562658631 /nfs/dbraw/zinc/65/86/31/562658631.db2.gz XMWKMYOIZQTDML-CYBMUJFWSA-N 0 3 518.330 5.212 1 0 KKAFHN Cc1cc(C)c(NC(=O)N[C@@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000045202225 562659112 /nfs/dbraw/zinc/65/91/12/562659112.db2.gz SVNBCXOGKMCLJS-YIEPXFBBSA-N 0 3 531.528 6.114 1 0 KKAFHN CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045202543 562659148 /nfs/dbraw/zinc/65/91/48/562659148.db2.gz ZZNGNCRZRDCPFY-GDLZYMKVSA-N 0 3 531.722 5.881 1 0 KKAFHN C[C@@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045227658 562659437 /nfs/dbraw/zinc/65/94/37/562659437.db2.gz ZOXQYQOWAXKIKN-IBGZPJMESA-N 0 3 521.587 5.738 1 0 KKAFHN C[C@@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045227658 562659438 /nfs/dbraw/zinc/65/94/38/562659438.db2.gz ZOXQYQOWAXKIKN-IBGZPJMESA-N 0 3 521.587 5.738 1 0 KKAFHN O=S(=O)([N-]c1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045228309 562659463 /nfs/dbraw/zinc/65/94/63/562659463.db2.gz VITISJVAGJJRJO-UHFFFAOYSA-N 0 3 503.712 5.647 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCOc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000045231377 562659686 /nfs/dbraw/zinc/65/96/86/562659686.db2.gz NWGQEIQRJIXFIL-HKBQPEDESA-N 0 3 518.721 5.133 1 0 KKAFHN O=C(NC[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045301833 562660522 /nfs/dbraw/zinc/66/05/22/562660522.db2.gz FORAXJIIDUEKDC-GOSISDBHSA-N 0 3 502.558 5.457 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCOc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000045318793 562660926 /nfs/dbraw/zinc/66/09/26/562660926.db2.gz FLEFAPOLARGJQP-UUWRZZSWSA-N 0 3 544.759 5.647 1 0 KKAFHN C[C@@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045322590 562661113 /nfs/dbraw/zinc/66/11/13/562661113.db2.gz QFNWXBCCKJYIFU-IBGZPJMESA-N 0 3 521.587 5.738 1 0 KKAFHN C[C@@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045322590 562661114 /nfs/dbraw/zinc/66/11/14/562661114.db2.gz QFNWXBCCKJYIFU-IBGZPJMESA-N 0 3 521.587 5.738 1 0 KKAFHN COc1cc(CN(CC[C@H](c2ccccc2)c2c(O)ccc3ccccc32)Cc2ccccc2)cc(OC)c1 ZINC000045375292 562662321 /nfs/dbraw/zinc/66/23/21/562662321.db2.gz IQRGAPUWPNBRDH-MGBGTMOVSA-N 0 3 517.669 7.787 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCCC1 ZINC000045495842 562662665 /nfs/dbraw/zinc/66/26/65/562662665.db2.gz XCWSAVXACRBMPF-FYYLOGMGSA-N 0 3 512.663 5.622 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCCCc2cccc(F)c2F)c(=O)c2ccccc21 ZINC000048307303 562662973 /nfs/dbraw/zinc/66/29/73/562662973.db2.gz QFNOFKVRVOVZCQ-UHFFFAOYSA-N 0 3 703.796 8.902 1 0 KKAFHN CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048998251 562663167 /nfs/dbraw/zinc/66/31/67/562663167.db2.gz BBKNZDXWDHCIOQ-MHZLTWQESA-N 0 3 539.761 5.428 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccc(F)cc2)s1)C1CCCCC1 ZINC000049115563 562664759 /nfs/dbraw/zinc/66/47/59/562664759.db2.gz ZAVJGZJOAOWWTO-WYRQLCSISA-N 0 3 522.690 5.439 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3ccccc3c(=O)nc2CCc2cccc(F)c2F)CC1 ZINC000049605119 562665393 /nfs/dbraw/zinc/66/53/93/562665393.db2.gz QSYAHUSMOYZIHX-UHFFFAOYSA-N 0 3 688.741 7.659 1 0 KKAFHN COc1ccc(Cn2c3cc(C(=O)NCCN4CCCC4)ccc3nc2Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000049605439 562665880 /nfs/dbraw/zinc/66/58/80/562665880.db2.gz MANIAWQRPJQPAL-UHFFFAOYSA-N 0 3 572.031 6.335 1 0 KKAFHN CN1CCC(NC(=O)c2cc(Oc3ccc4c(c3)CCN4C(=O)Nc3cccc(C(F)(F)F)c3)ccn2)CC1 ZINC000049605452 562665935 /nfs/dbraw/zinc/66/59/35/562665935.db2.gz PXUOQXKNDQVCAZ-UHFFFAOYSA-N 0 3 539.558 5.311 1 0 KKAFHN Cc1ccc(S(=O)(=O)N(CCCN2CCN(C)CC2)Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)cc1 ZINC000049605591 562666067 /nfs/dbraw/zinc/66/60/67/562666067.db2.gz HSTOCHBOESKCJZ-UHFFFAOYSA-N 0 3 603.858 5.237 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1c(F)ccc(F)c1F ZINC000049605613 562666092 /nfs/dbraw/zinc/66/60/92/562666092.db2.gz PWLGDLXIDVHFPY-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049605592 562666113 /nfs/dbraw/zinc/66/61/13/562666113.db2.gz RIFCSFHNGLZPOL-JGCGQSQUSA-N 0 3 571.589 6.641 1 0 KKAFHN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c(F)c2)CC1 ZINC000049605716 562666328 /nfs/dbraw/zinc/66/63/28/562666328.db2.gz XJOIRUKYLBUXQY-UHFFFAOYSA-N 0 3 570.496 5.935 1 0 KKAFHN O=C(NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049614460 562666563 /nfs/dbraw/zinc/66/65/63/562666563.db2.gz SYACMZGTAWHUQF-UHFFFAOYSA-N 0 3 667.681 9.753 1 0 KKAFHN O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049614911 562666607 /nfs/dbraw/zinc/66/66/07/562666607.db2.gz GLBUKRYFJCLYRW-UHFFFAOYSA-N 0 3 709.762 10.923 1 0 KKAFHN Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCCCN3CCN(C)CC3)nc21 ZINC000049625812 562666907 /nfs/dbraw/zinc/66/69/07/562666907.db2.gz PWRJTRCMIRREJU-UHFFFAOYSA-N 0 3 603.600 5.021 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)cc(F)c1 ZINC000049626906 562667361 /nfs/dbraw/zinc/66/73/61/562667361.db2.gz HGVRYDLMWQLDDU-UHFFFAOYSA-N 0 3 676.730 7.516 1 0 KKAFHN COc1ccc([C@@H](CCCNS(=O)(=O)c2ccc(Cl)s2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049694459 562669367 /nfs/dbraw/zinc/66/93/67/562669367.db2.gz IDDBPMNXNXZKPM-UFHPHHKVSA-N 0 3 723.317 6.398 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@@H](NC(=O)NCc3ccccc3Cl)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049710021 562671505 /nfs/dbraw/zinc/67/15/05/562671505.db2.gz XGGIQPIDJMSEAH-HHHXNRCGSA-N 0 3 636.045 6.391 1 0 KKAFHN O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722557 562672190 /nfs/dbraw/zinc/67/21/90/562672190.db2.gz ZTGKKBRUYNYCNY-OTWHNJEPSA-N 0 3 572.364 6.586 1 0 KKAFHN CN(C)CCOc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2c1 ZINC000049722586 562672209 /nfs/dbraw/zinc/67/22/09/562672209.db2.gz OTBBBQPSSDIEBL-UHFFFAOYSA-N 0 3 677.714 7.350 1 0 KKAFHN O=C(Cc1cccnc1)N(Cc1ccc(-c2ccc(CNCc3cccnc3)cn2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000049723101 562672966 /nfs/dbraw/zinc/67/29/66/562672966.db2.gz ZYIUFHMRGVPXMV-UHFFFAOYSA-N 0 3 596.779 6.064 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3nn(C)cc3c(=O)cc2CCc2cccc(F)c2F)CC1 ZINC000049723196 562673050 /nfs/dbraw/zinc/67/30/50/562673050.db2.gz DTTTXKODSFAHSD-UHFFFAOYSA-N 0 3 705.772 7.386 1 0 KKAFHN CN1CCN(CCCN(Cc2ccc(-c3ccc(CNCc4ccc5c(c4)OCO5)cc3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000049723288 562673162 /nfs/dbraw/zinc/67/31/62/562673162.db2.gz KUHXGIGQCFVKDX-UHFFFAOYSA-N 0 3 605.783 6.044 1 0 KKAFHN O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745251 562673766 /nfs/dbraw/zinc/67/37/66/562673766.db2.gz GUNSFAQQGCFKPF-KSEOMHKRSA-N 0 3 539.454 5.558 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049745832 562674105 /nfs/dbraw/zinc/67/41/05/562674105.db2.gz WSQWFQGNZPVTQC-UHFFFAOYSA-N 0 3 592.810 5.258 1 0 KKAFHN CS(=O)(=O)[N-]c1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000049756132 562674853 /nfs/dbraw/zinc/67/48/53/562674853.db2.gz COLKEZLWMLVCIQ-VZUCSPMQSA-N 0 3 604.604 5.809 1 0 KKAFHN CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2 ZINC000049756998 562675366 /nfs/dbraw/zinc/67/53/66/562675366.db2.gz YTELHZGITUPWIN-OIDHKYIRSA-N 0 3 662.897 5.551 1 0 KKAFHN Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc2ccccc2s1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049757379 562675933 /nfs/dbraw/zinc/67/59/33/562675933.db2.gz FDKCMKCKCOAXOX-HQGUKNTCSA-N 0 3 591.818 5.413 1 0 KKAFHN CC(=O)Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCCN4CCCCC4)cc3)[C@H]2c2ccccc2)cc1 ZINC000049757458 562676026 /nfs/dbraw/zinc/67/60/26/562676026.db2.gz KSNMHXKYNFKFLZ-PDHQKIGBSA-N 0 3 547.695 7.526 1 0 KKAFHN COc1ccc(C(=O)Nc2ccccc2NC(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1OC ZINC000049762133 562676364 /nfs/dbraw/zinc/67/63/64/562676364.db2.gz CRHUEJTVQJBKIR-UHFFFAOYSA-N 0 3 610.711 6.218 1 0 KKAFHN CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 ZINC000049767193 562677430 /nfs/dbraw/zinc/67/74/30/562677430.db2.gz NOBRZARFPUZXNK-FQEVSTJZSA-N 0 3 558.901 5.353 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777022 562679534 /nfs/dbraw/zinc/67/95/34/562679534.db2.gz DYMVIXFRKNHUJQ-LJAQVGFWSA-N 0 3 602.845 5.167 1 0 KKAFHN O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 ZINC000049777052 562679597 /nfs/dbraw/zinc/67/95/97/562679597.db2.gz ZXRIWIVIXXWDGK-DHUJRADRSA-N 0 3 610.843 5.434 1 0 KKAFHN S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777635 562680319 /nfs/dbraw/zinc/68/03/19/562680319.db2.gz NOGQVMFPQFEQBQ-GTKRZRNESA-N 0 3 680.044 6.958 1 0 KKAFHN CN(C)CCNc1ccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000049777629 562680336 /nfs/dbraw/zinc/68/03/36/562680336.db2.gz SOMNTMFCUYIBSJ-UHFFFAOYSA-N 0 3 545.569 5.703 1 0 KKAFHN Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCCN4CCN(C)CC4)ncn3)c2)c1 ZINC000049777798 562680576 /nfs/dbraw/zinc/68/05/76/562680576.db2.gz QXIYOGPRUCDNIQ-UHFFFAOYSA-N 0 3 589.748 5.478 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)N(Cc4cccc(Cl)c4Cl)C4CC4)CNCC3)cc2)c(Cl)c1 ZINC000049777945 562680725 /nfs/dbraw/zinc/68/07/25/562680725.db2.gz FMTLMIDADBADOY-UHFFFAOYSA-N 0 3 620.404 8.005 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4ccc(F)c5cc(C(F)(F)F)cnc54)CC3)CC2)c1 ZINC000049784574 562683660 /nfs/dbraw/zinc/68/36/60/562683660.db2.gz OSRWFGCIJIRBCM-UHFFFAOYSA-N 0 3 539.577 5.741 1 0 KKAFHN CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(CC2CCN(C)CC2)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049793275 562684678 /nfs/dbraw/zinc/68/46/78/562684678.db2.gz CRCUNMKTEAUDDB-OAQYLSRUSA-N 0 3 625.667 5.811 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccc(Cl)cc2)s1)C1CCCCC1 ZINC000049793288 562684691 /nfs/dbraw/zinc/68/46/91/562684691.db2.gz UDSHPTQPAIYZKQ-WYRQLCSISA-N 0 3 539.145 5.953 1 0 KKAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049823241 562687116 /nfs/dbraw/zinc/68/71/16/562687116.db2.gz DSMOGQVECWIDRP-UHFFFAOYSA-N 0 3 667.295 5.276 1 0 KKAFHN NC(=O)CN(CCc1ccc(-c2ccccc2)cc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000049841371 562688294 /nfs/dbraw/zinc/68/82/94/562688294.db2.gz AYDOOTJBEFYAOE-UHFFFAOYSA-N 0 3 640.784 5.448 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCCCCC1 ZINC000049878531 562690679 /nfs/dbraw/zinc/69/06/79/562690679.db2.gz CFNBMDAXVAJPSE-ILBGXUMGSA-N 0 3 540.717 6.402 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049899456 562693131 /nfs/dbraw/zinc/69/31/31/562693131.db2.gz LQKSXPXJHUCHMO-XZWHSSHBSA-N 0 3 646.776 5.294 1 0 KKAFHN CN1CCc2cc([N-]S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)c(OCCC[NH+]3CCCCC3)cc2CC1 ZINC000049908051 562693418 /nfs/dbraw/zinc/69/34/18/562693418.db2.gz OQOYDQAKBGFPGJ-UHFFFAOYSA-N 0 3 568.183 6.093 1 0 KKAFHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917612 562693622 /nfs/dbraw/zinc/69/36/22/562693622.db2.gz HOZWLRIMHVJKNF-UFYCRDLUSA-N 0 3 605.916 6.952 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049917579 562693661 /nfs/dbraw/zinc/69/36/61/562693661.db2.gz KEASQMZNUZSVDB-UXBLZVDNSA-N 0 3 539.454 5.811 1 0 KKAFHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917615 562693689 /nfs/dbraw/zinc/69/36/89/562693689.db2.gz HOZWLRIMHVJKNF-XUVXKRRUSA-N 0 3 605.916 6.952 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)c2c1 ZINC000049917880 562694082 /nfs/dbraw/zinc/69/40/82/562694082.db2.gz DYYLJIKLFBCHTO-VWXIVLILSA-N 0 3 709.891 6.752 1 0 KKAFHN O=C(NC1CCN(CCN2CCC(c3ccccc3C(F)(F)F)CC2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049918004 562694329 /nfs/dbraw/zinc/69/43/29/562694329.db2.gz CKTSZVHITRSKEP-UHFFFAOYSA-N 0 3 570.099 7.100 1 0 KKAFHN O=C(Nc1ccccc1)N[C@H]1CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000049918034 562694347 /nfs/dbraw/zinc/69/43/47/562694347.db2.gz MENBXQWQAZNXTG-SETSBSEESA-N 0 3 567.517 5.647 1 0 KKAFHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)o1)c1ccccc1 ZINC000049918104 562694428 /nfs/dbraw/zinc/69/44/28/562694428.db2.gz MYPFYAQWYHZGFS-LJAQVGFWSA-N 0 3 563.633 6.824 1 0 KKAFHN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c(F)c2)CC1 ZINC000049918099 562694469 /nfs/dbraw/zinc/69/44/69/562694469.db2.gz CYGQDDBYEKVHJS-UHFFFAOYSA-N 0 3 574.459 5.766 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1I ZINC000049918202 562694595 /nfs/dbraw/zinc/69/45/95/562694595.db2.gz OCSKQJRRTGNOAC-UHFFFAOYSA-N 0 3 527.712 5.548 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCCc3ccccc3)c2)CC1 ZINC000049918250 562694674 /nfs/dbraw/zinc/69/46/74/562694674.db2.gz WPKQFXOCTRROEM-UHFFFAOYSA-N 0 3 666.686 5.644 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049938217 562695160 /nfs/dbraw/zinc/69/51/60/562695160.db2.gz WZCRTOKSBDFVAS-POURPWNDSA-N 0 3 675.072 7.905 1 0 KKAFHN CC1(NC(=O)Cc2ccc(Cl)cc2)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053242886 562696748 /nfs/dbraw/zinc/69/67/48/562696748.db2.gz LUBYGHNAONZOCT-MHZLTWQESA-N 0 3 528.112 5.820 1 0 KKAFHN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058533251 562698642 /nfs/dbraw/zinc/69/86/42/562698642.db2.gz IZZPVNBZSGTVFV-ZZOHRRKISA-N 0 3 557.860 7.825 1 0 KKAFHN Cc1c(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cccc1N(c1ccccc1)S(C)(=O)=O ZINC000058598720 562700752 /nfs/dbraw/zinc/70/07/52/562700752.db2.gz XYPSUEPECMURMW-IGYGKHONSA-N 0 3 625.713 5.603 1 0 KKAFHN CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000058655449 562701376 /nfs/dbraw/zinc/70/13/76/562701376.db2.gz OCHDDAGWDCOFQM-JHOUSYSJSA-N 0 3 694.776 5.422 1 0 KKAFHN CN(C[C@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000058672917 562701519 /nfs/dbraw/zinc/70/15/19/562701519.db2.gz QSVIUQSRMGIJPZ-YQPGIBNTSA-N 0 3 528.784 5.049 1 0 KKAFHN O=C(CCCNCc1c(Cl)cccc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000059126069 562701714 /nfs/dbraw/zinc/70/17/14/562701714.db2.gz SXZPHXWUKCRLIY-MUUNZHRXSA-N 0 3 530.927 6.450 1 0 KKAFHN O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895479 562702874 /nfs/dbraw/zinc/70/28/74/562702874.db2.gz VLVPEVZFRKIYSM-UMSFTDKQSA-N 0 3 527.668 7.145 3 0 KKAFHN O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000061898503 562702902 /nfs/dbraw/zinc/70/29/02/562702902.db2.gz BGFKMUVOKQEJAS-GDLZYMKVSA-N 0 3 501.577 5.510 3 0 KKAFHN COc1ccc([C@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)cn1 ZINC000061897982 562702911 /nfs/dbraw/zinc/70/29/11/562702911.db2.gz LLLNQQOQHKAYHT-YTTGMZPUSA-N 0 3 521.661 6.309 3 0 KKAFHN COc1cc(CN2CCC(C(=O)N[C@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)cc(OC)c1 ZINC000061895997 562702942 /nfs/dbraw/zinc/70/29/42/562702942.db2.gz GNNAJSXRDKRKNV-WJOKGBTCSA-N 0 3 522.649 5.279 3 0 KKAFHN O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923782 562703544 /nfs/dbraw/zinc/70/35/44/562703544.db2.gz CXQUFXAIHBRRMW-ZONZVBGPSA-N 0 3 509.050 5.218 3 0 KKAFHN O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061925941 562703586 /nfs/dbraw/zinc/70/35/86/562703586.db2.gz XJWCDQUOSZJQRM-LJAQVGFWSA-N 0 3 500.042 5.885 3 0 KKAFHN CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn54)n3)cc2)CC1 ZINC000063298056 562704460 /nfs/dbraw/zinc/70/44/60/562704460.db2.gz CPVBDWFSIXDJER-UHFFFAOYSA-N 0 3 612.713 6.735 1 0 KKAFHN CC(C)CC1C(=O)N(COC(=O)[C@@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064361672 562704824 /nfs/dbraw/zinc/70/48/24/562704824.db2.gz SZNGJZRKYQQJBL-CUNXSJBXSA-N 0 3 536.650 5.087 1 0 KKAFHN CCN1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447411 562705384 /nfs/dbraw/zinc/70/53/84/562705384.db2.gz ULFBVDCNWCBUQT-KVHIKELMSA-N 0 3 606.774 7.470 1 0 KKAFHN CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448350 562705512 /nfs/dbraw/zinc/70/55/12/562705512.db2.gz BQNPHGJXMWFRFI-LIZUUOPFSA-N 0 3 592.747 7.162 1 0 KKAFHN Clc1ccc([C@@H](c2ccccc2)N2CCCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064491758 562705951 /nfs/dbraw/zinc/70/59/51/562705951.db2.gz RTXSHWCVMKPGAX-SSEXGKCCSA-N 0 3 519.520 7.141 1 0 KKAFHN Clc1ccc([C@H](c2ccccc2)N2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064510754 562706183 /nfs/dbraw/zinc/70/61/83/562706183.db2.gz FYIHUHLFTBIBLG-LJAQVGFWSA-N 0 3 505.493 6.751 1 0 KKAFHN Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C2)CCCc2ccc(Br)cc23)n1C ZINC000064549470 562708050 /nfs/dbraw/zinc/70/80/50/562708050.db2.gz MKRKVCYLRHDJLG-QHCPKHFHSA-N 0 3 502.482 5.003 1 0 KKAFHN O=C(NCCCCN1CCN(C/C=C\c2ccccc2)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000064622093 562708881 /nfs/dbraw/zinc/70/88/81/562708881.db2.gz VEYRNVFGHAWMNB-TWGQIWQCSA-N 0 3 565.545 6.087 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074422 562709825 /nfs/dbraw/zinc/70/98/25/562709825.db2.gz JVAFIFLJBRUNJB-HKBQPEDESA-N 0 3 578.761 5.220 1 0 KKAFHN O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1)N(Cc1cccc(Cl)c1)C[C@@H]1C[C@@H](F)CN1 ZINC000066079775 562710689 /nfs/dbraw/zinc/71/06/89/562710689.db2.gz WCHNWHKOIZEEBZ-RPBOFIJWSA-N 0 3 533.051 5.214 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCN2CCCCC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000066104831 562711769 /nfs/dbraw/zinc/71/17/69/562711769.db2.gz FOMYDJXGULFNEY-FMHSGURNSA-N 0 3 581.639 5.575 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066104969 562711826 /nfs/dbraw/zinc/71/18/26/562711826.db2.gz BNJAETMQKIKKSN-GOSISDBHSA-N 0 3 538.570 5.756 1 0 KKAFHN C[C@H](Oc1cc(-n2cnc3cc(OC4CCN(C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066112154 562711974 /nfs/dbraw/zinc/71/19/74/562711974.db2.gz FASALJZFFLCNKM-SFHVURJKSA-N 0 3 538.570 5.756 1 0 KKAFHN CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Cc1ccccc1 ZINC000066156565 562713806 /nfs/dbraw/zinc/71/38/06/562713806.db2.gz CJFQNIYVIFWKDV-UHFFFAOYSA-N 0 3 541.717 5.473 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000066157127 562713887 /nfs/dbraw/zinc/71/38/87/562713887.db2.gz RKFPRZNLXVJUNG-FQWYTPLZSA-N 0 3 627.807 5.815 3 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000066157127 562713888 /nfs/dbraw/zinc/71/38/88/562713888.db2.gz RKFPRZNLXVJUNG-FQWYTPLZSA-N 0 3 627.807 5.815 3 0 KKAFHN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](N)CCC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157530 562713940 /nfs/dbraw/zinc/71/39/40/562713940.db2.gz FKRJWSOOMWTJEG-IRYADYCUSA-N 0 3 629.806 5.002 1 0 KKAFHN FC(F)(F)c1ccc(Nc2nc(N3CCN(C4CCCC4)CC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066262240 562715495 /nfs/dbraw/zinc/71/54/95/562715495.db2.gz AFFXSFAWMDBWFI-UHFFFAOYSA-N 0 3 605.631 6.323 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000068198116 562715884 /nfs/dbraw/zinc/71/58/84/562715884.db2.gz ZIMGMSCOVHYQIN-UHFFFAOYSA-N 0 3 524.673 5.164 1 0 KKAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1 ZINC000068207013 562716026 /nfs/dbraw/zinc/71/60/26/562716026.db2.gz MZSDTUIZKGUVHK-UHFFFAOYSA-N 0 3 529.601 5.149 1 0 in-vitro KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071297085 562717727 /nfs/dbraw/zinc/71/77/27/562717727.db2.gz DKVWTGMSGYYQCA-DEOSSOPVSA-N 0 3 518.610 5.261 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@H](O)c2ccc(Br)cc2)CC1 ZINC000071330888 562719222 /nfs/dbraw/zinc/71/92/22/562719222.db2.gz SBVFNLJIIJHIAV-QKKBWIMNSA-N 0 3 515.279 5.105 1 0 KKAFHN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111406 562721903 /nfs/dbraw/zinc/72/19/03/562721903.db2.gz DWBJTGAJCVILKR-RSQQNEHOSA-N 0 3 574.772 6.943 1 0 KKAFHN C[C@@H]1CN(Cc2cccc(SC(F)(F)F)c2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111474 562722000 /nfs/dbraw/zinc/72/20/00/562722000.db2.gz WOROFGJEFQGPNP-MBGPZUCASA-N 0 3 606.839 7.536 1 0 KKAFHN CCN(CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072112936 562722221 /nfs/dbraw/zinc/72/22/21/562722221.db2.gz YKLLFVQSYPMPIH-LOYHVIPDSA-N 0 3 568.545 7.202 1 0 KKAFHN COc1cc2c(cc1OCCF)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000072114021 562722597 /nfs/dbraw/zinc/72/25/97/562722597.db2.gz VEKXZDCJRICAKF-UHFFFAOYSA-N 0 3 678.761 6.714 1 0 KKAFHN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CCN2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114810 562722840 /nfs/dbraw/zinc/72/28/40/562722840.db2.gz DKXHFFZMSYMRIM-ROJLCIKYSA-N 0 3 609.598 6.498 1 0 KKAFHN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CCN2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114809 562722858 /nfs/dbraw/zinc/72/28/58/562722858.db2.gz DKXHFFZMSYMRIM-ACHIHNKUSA-N 0 3 609.598 6.498 1 0 KKAFHN CC(C)C[C@H](N)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118153 562723386 /nfs/dbraw/zinc/72/33/86/562723386.db2.gz QIIPFEXSUMEYSF-DEOSSOPVSA-N 0 3 560.542 7.556 1 0 KKAFHN Cc1cc(=O)oc2c1ccc1c2C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C(C)(C)S1 ZINC000072126249 562725296 /nfs/dbraw/zinc/72/52/96/562725296.db2.gz UHXQMSMGDKVWKB-XWVOHUCTSA-N 0 3 652.762 5.726 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127671 562725757 /nfs/dbraw/zinc/72/57/57/562725757.db2.gz XLLCULDIIKOUKO-WISKXVKBSA-N 0 3 676.053 6.857 3 0 KKAFHN CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127743 562725897 /nfs/dbraw/zinc/72/58/97/562725897.db2.gz HUJIOOUZBZWSBP-HLFYWILQSA-N 0 3 749.997 7.473 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000072128768 562726276 /nfs/dbraw/zinc/72/62/76/562726276.db2.gz YKJQWERUMMRZAT-XZTSFBBGSA-N 0 3 642.800 7.503 3 0 KKAFHN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC[C@@]12CCCN1C(=O)N(CCCCN1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128772 562726349 /nfs/dbraw/zinc/72/63/49/562726349.db2.gz XULKSGNOZSMMCZ-QLKFWGTOSA-N 0 3 753.026 7.077 1 0 KKAFHN Oc1ccc(C[C@H]2CN([C@@H](Cc3cccc(O)c3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072134869 562727386 /nfs/dbraw/zinc/72/73/86/562727386.db2.gz PURXOUXJLIOVOV-HQPLKVBUSA-N 0 3 712.042 6.369 3 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172041 562730601 /nfs/dbraw/zinc/73/06/01/562730601.db2.gz NFNRBWZDIGKKNZ-DEOSSOPVSA-N 0 3 558.631 5.520 1 0 KKAFHN CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 ZINC000072182364 562732863 /nfs/dbraw/zinc/73/28/63/562732863.db2.gz AANVTLVNTUEXNM-UHFFFAOYSA-N 0 3 525.723 5.107 1 0 KKAFHN C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl ZINC000072183320 562732885 /nfs/dbraw/zinc/73/28/85/562732885.db2.gz LVGDISGNKYDSAM-WMZHIEFXSA-N 0 3 539.507 6.478 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2cccnc23)cc1 ZINC000072317811 562733198 /nfs/dbraw/zinc/73/31/98/562733198.db2.gz LKCGVBONYVRCLD-JOCHJYFZSA-N 0 3 509.355 6.898 1 0 KKAFHN CN1CCC[C@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000072318154 562733270 /nfs/dbraw/zinc/73/32/70/562733270.db2.gz PPLDDAVPZCQAOG-NDEPHWFRSA-N 0 3 613.759 5.732 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)F ZINC000073223575 562736497 /nfs/dbraw/zinc/73/64/97/562736497.db2.gz CWSAJTLFSLVVTF-DPSWKAHMSA-N 0 3 514.016 5.455 1 0 KKAFHN COc1cccc(CN(c2ccc(Br)cc2)C2CCN([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000082157453 562740900 /nfs/dbraw/zinc/74/09/00/562740900.db2.gz WKCUCNKLVWTUOU-HXUWFJFHSA-N 0 3 620.419 6.839 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(F)c(F)c4)c4ccccc4c3=O)CC2)c1 ZINC000082157760 562740981 /nfs/dbraw/zinc/74/09/81/562740981.db2.gz YVVMAGRTTSOPEO-UHFFFAOYSA-N 0 3 516.592 5.570 1 0 in-vitro KKAFHN N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175468 562741630 /nfs/dbraw/zinc/74/16/30/562741630.db2.gz LIMJKIRESKWUFU-PKTZIBPZSA-N 0 3 666.816 7.736 1 0 KKAFHN O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc(Cl)c2Cl)c1Br ZINC000084596658 562743765 /nfs/dbraw/zinc/74/37/65/562743765.db2.gz OZFKVMALEJNYGS-ODXCJYRJSA-N 0 3 504.158 5.654 1 0 KKAFHN Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCCC3)ccn2)cc2c[nH]nc21 ZINC000084604084 562744285 /nfs/dbraw/zinc/74/42/85/562744285.db2.gz OATCGYGVXJZTCA-UMSFTDKQSA-N 0 3 618.782 6.784 1 0 KKAFHN O=C(NCCCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc(=O)c2cc(O)ccc2o1 ZINC000084619626 562745294 /nfs/dbraw/zinc/74/52/94/562745294.db2.gz GQYKIJZPMPGPIM-UHFFFAOYSA-N 0 3 541.692 6.888 1 0 KKAFHN Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(CN3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084635197 562746109 /nfs/dbraw/zinc/74/61/09/562746109.db2.gz SLKTUVPPNJWTAB-JGCGQSQUSA-N 0 3 607.759 6.185 1 0 KKAFHN O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)n[nH]2)cc1)OCc1ccccc1 ZINC000084653507 562746856 /nfs/dbraw/zinc/74/68/56/562746856.db2.gz MWOBEOJMSDHMFO-UHFFFAOYSA-N 0 3 539.636 5.230 1 0 KKAFHN Clc1cccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)c1 ZINC000084653494 562746876 /nfs/dbraw/zinc/74/68/76/562746876.db2.gz AIOXNMPFHMQKSX-YTTGMZPUSA-N 0 3 563.061 6.364 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4ccccc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084653491 562746888 /nfs/dbraw/zinc/74/68/88/562746888.db2.gz HPLQQIPBTRZDSJ-UUWRZZSWSA-N 0 3 561.085 7.574 1 0 KKAFHN Cc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)c(O[C@@H](C)c4ccccc4C(F)(F)F)c3)c2)sc1CN(C)C ZINC000084654423 562747260 /nfs/dbraw/zinc/74/72/60/562747260.db2.gz CUQJLXJQXXVHHB-KRWDZBQOSA-N 0 3 554.638 6.687 1 0 KKAFHN C[C@@H](Oc1cc(-c2cc(-c3ccc(CN4CCCCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655186 562747440 /nfs/dbraw/zinc/74/74/40/562747440.db2.gz UDRXFTHAAGUSLS-LJQANCHMSA-N 0 3 580.676 7.303 1 0 KKAFHN C[C@@H](Oc1cc(-c2nc(-c3ccc(CN(C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655409 562747488 /nfs/dbraw/zinc/74/74/88/562747488.db2.gz JBRZKYLSQYOAJO-OAHLLOKOSA-N 0 3 541.599 5.774 1 0 KKAFHN Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)nc1 ZINC000084655458 562747536 /nfs/dbraw/zinc/74/75/36/562747536.db2.gz WGJIAMSLBTZDEA-HHHXNRCGSA-N 0 3 503.965 5.441 1 0 KKAFHN c1cc(-c2ccncc2)oc1C1=NO[C@@H](c2ccccc2-c2cncnc2)N1c1ccc(N2CCNCC2)cc1 ZINC000084709177 562750278 /nfs/dbraw/zinc/75/02/78/562750278.db2.gz XJPWEUGASNNPSG-HKBQPEDESA-N 0 3 529.604 5.105 1 0 KKAFHN Cc1nc(CN(C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084711094 562750624 /nfs/dbraw/zinc/75/06/24/562750624.db2.gz NBDDNMFLLUDTIY-YTTGMZPUSA-N 0 3 601.817 7.926 1 0 KKAFHN Cc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084714086 562750939 /nfs/dbraw/zinc/75/09/39/562750939.db2.gz XIQANYWLCOBFCT-XIFFEERXSA-N 0 3 599.845 8.096 1 0 KKAFHN Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)c(F)c1 ZINC000084723430 562751046 /nfs/dbraw/zinc/75/10/46/562751046.db2.gz NQESPVWTXKDFFE-MUUNZHRXSA-N 0 3 520.967 6.185 1 0 KKAFHN COc1ccc(OC)c2c1CCN(CCN1CCC(C(=O)Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC1)C2 ZINC000084854151 562753048 /nfs/dbraw/zinc/75/30/48/562753048.db2.gz SNYZSCVWJPQHTP-UHFFFAOYSA-N 0 3 577.125 5.318 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000095538186 562754572 /nfs/dbraw/zinc/75/45/72/562754572.db2.gz GBTCDSUSVMDXPF-FAIXQHPJSA-N 0 3 759.908 5.836 1 0 KKAFHN O=C(CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095539992 562755443 /nfs/dbraw/zinc/75/54/43/562755443.db2.gz XJMWWALONVOUBI-LHEWISCISA-N 0 3 792.821 8.497 1 0 KKAFHN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](CCc1ccccc1)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(SC)cc1)Oc1ccc(SC)cc1 ZINC000095547804 562758907 /nfs/dbraw/zinc/75/89/07/562758907.db2.gz AYWGHLSWNCKGSK-UZGNFBRWSA-N 0 3 825.024 9.472 1 0 KKAFHN O=C(N[C@@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550055 562759894 /nfs/dbraw/zinc/75/98/94/562759894.db2.gz RFKDBORJIKLFCM-BNJDOESSSA-N 0 3 767.030 9.005 1 0 KKAFHN CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1)c1ccccc1 ZINC000095550334 562760090 /nfs/dbraw/zinc/76/00/90/562760090.db2.gz KHBCDHGLAQMFCM-RPIVSMJNSA-N 0 3 762.992 6.347 1 0 KKAFHN COc1cc(/C=C/C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)ccc1OCCCO[N+](=O)[O-] ZINC000095552647 562760745 /nfs/dbraw/zinc/76/07/45/562760745.db2.gz UHAQXHVUNBQUOS-FBMGVBCBSA-N 0 3 576.694 5.901 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553373 562760909 /nfs/dbraw/zinc/76/09/09/562760909.db2.gz ATLHHAOOYRUXSA-AUDZHZMHSA-N 0 3 801.053 6.126 1 0 KKAFHN Cc1ccncc1CN(C(=O)Nc1cccnc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 ZINC000095556840 562761831 /nfs/dbraw/zinc/76/18/31/562761831.db2.gz YFCXGZOWAVGWJN-JOCHJYFZSA-N 0 3 564.134 5.157 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566142 562764811 /nfs/dbraw/zinc/76/48/11/562764811.db2.gz GDLSESYYEZMWDL-NCLPYWGKSA-N 0 3 697.799 6.167 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095566604 562765053 /nfs/dbraw/zinc/76/50/53/562765053.db2.gz DEMCBGNJFOTASI-PCFSMJPMSA-N 0 3 638.589 5.214 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095566513 562765080 /nfs/dbraw/zinc/76/50/80/562765080.db2.gz VFODUGZKJXJXBF-AXHSOIPPSA-N 0 3 658.843 6.308 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095566659 562765176 /nfs/dbraw/zinc/76/51/76/562765176.db2.gz GFVNWDBMZVYSCS-QAJXPZEFSA-N 0 3 694.833 5.455 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567191 562765580 /nfs/dbraw/zinc/76/55/80/562765580.db2.gz IFLLFBGKWUQYRJ-MTSKFENVSA-N 0 3 721.899 6.941 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567328 562765671 /nfs/dbraw/zinc/76/56/71/562765671.db2.gz UHYLZCFMZDIRGN-URCRQUEMSA-N 0 3 652.636 6.720 1 0 KKAFHN Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095567544 562765906 /nfs/dbraw/zinc/76/59/06/562765906.db2.gz YHYAWRQKEINXTD-SPWOZAQASA-N 0 3 696.043 6.663 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567934 562766192 /nfs/dbraw/zinc/76/61/92/562766192.db2.gz YBNZKBDLNSUZNE-ZLEIESQFSA-N 0 3 624.738 5.494 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095568278 562766452 /nfs/dbraw/zinc/76/64/52/562766452.db2.gz LMVYLEREBXGKHC-VWGARZEKSA-N 0 3 652.792 6.413 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095568363 562766597 /nfs/dbraw/zinc/76/65/97/562766597.db2.gz AMEWTOKWBIKYEC-USUMGCFOSA-N 0 3 664.807 5.446 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568601 562766779 /nfs/dbraw/zinc/76/67/79/562766779.db2.gz VYCOOHAMPRTWAW-QXULMBECSA-N 0 3 719.927 6.745 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095568644 562766812 /nfs/dbraw/zinc/76/68/12/562766812.db2.gz FGZYRMRERWZGKV-CJYOKPGZSA-N 0 3 614.665 5.710 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095568856 562766928 /nfs/dbraw/zinc/76/69/28/562766928.db2.gz CMLTYIJXOZVOLL-NVOANOBXSA-N 0 3 612.815 6.089 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568923 562767018 /nfs/dbraw/zinc/76/70/18/562767018.db2.gz YBNZKBDLNSUZNE-UBWLVADZSA-N 0 3 624.738 5.494 1 0 KKAFHN Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000095569129 562767194 /nfs/dbraw/zinc/76/71/94/562767194.db2.gz NOKGHPUTVAEQCP-ZQWQDMLBSA-N 0 3 696.043 6.663 3 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095569256 562767312 /nfs/dbraw/zinc/76/73/12/562767312.db2.gz XGMQKVJTWVADHD-HJBDBDOVSA-N 0 3 714.826 7.286 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569758 562767692 /nfs/dbraw/zinc/76/76/92/562767692.db2.gz GFRGPEHDGBPCHF-BSUMSBOOSA-N 0 3 748.075 6.724 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570128 562767977 /nfs/dbraw/zinc/76/79/77/562767977.db2.gz RAWKXIVYXKZPFJ-HNMNOHOESA-N 0 3 616.656 5.770 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095570208 562768009 /nfs/dbraw/zinc/76/80/09/562768009.db2.gz SGMOQBHEVPGXKI-SNCSJZQCSA-N 0 3 610.730 6.489 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095570250 562768045 /nfs/dbraw/zinc/76/80/45/562768045.db2.gz XJOPVLQFFGEWNL-ZRLASMASSA-N 0 3 597.678 5.168 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570398 562768188 /nfs/dbraw/zinc/76/81/88/562768188.db2.gz PMSXCOZUFRLTET-SGQICDRISA-N 0 3 660.737 7.369 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570873 562768541 /nfs/dbraw/zinc/76/85/41/562768541.db2.gz FLOZMHQLKWUFJL-WAPJKPAKSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570873 562768542 /nfs/dbraw/zinc/76/85/42/562768542.db2.gz FLOZMHQLKWUFJL-WAPJKPAKSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570873 562768543 /nfs/dbraw/zinc/76/85/43/562768543.db2.gz FLOZMHQLKWUFJL-WAPJKPAKSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570946 562768648 /nfs/dbraw/zinc/76/86/48/562768648.db2.gz TXGYYWCQXDVHML-YBBGPBPVSA-N 0 3 634.699 6.855 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570970 562768651 /nfs/dbraw/zinc/76/86/51/562768651.db2.gz ISYWMCSQLOVTPH-XIZGUHLZSA-N 0 3 643.829 5.078 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095571013 562768667 /nfs/dbraw/zinc/76/86/67/562768667.db2.gz WNMJLARWBKXIKH-FQWYTPLZSA-N 0 3 660.840 7.082 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571360 562769028 /nfs/dbraw/zinc/76/90/28/562769028.db2.gz NPEDMRUCBXVYJC-DVIHYUSWSA-N 0 3 660.737 7.369 1 0 KKAFHN CCOCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095580415 562771844 /nfs/dbraw/zinc/77/18/44/562771844.db2.gz XLZMPDBDSOQRLV-HZFUHODCSA-N 0 3 592.806 5.255 1 0 KKAFHN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095587077 562774224 /nfs/dbraw/zinc/77/42/24/562774224.db2.gz OYZXLODRFPWHAB-UHFFFAOYSA-N 0 3 639.287 11.417 1 0 KKAFHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H](O)[C@@H](NCc3ccc(I)o3)CC[C@]12C ZINC000095588849 562774802 /nfs/dbraw/zinc/77/48/02/562774802.db2.gz PWVPUSOWIGEZGE-DHXQKRHUSA-N 0 3 501.493 6.382 1 0 KKAFHN CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095599727 562778263 /nfs/dbraw/zinc/77/82/63/562778263.db2.gz DKFJGYQTLBOWCX-ULPIOCOXSA-N 0 3 558.723 5.493 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600079 562778600 /nfs/dbraw/zinc/77/86/00/562778600.db2.gz AOVZEKKCHSEONH-GHVZQYPWSA-N 0 3 655.833 5.554 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600079 562778601 /nfs/dbraw/zinc/77/86/01/562778601.db2.gz AOVZEKKCHSEONH-GHVZQYPWSA-N 0 3 655.833 5.554 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095600541 562778996 /nfs/dbraw/zinc/77/89/96/562778996.db2.gz CMLTYIJXOZVOLL-FHLNUDKKSA-N 0 3 612.815 6.089 1 0 KKAFHN C[C@H](CN(C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095600872 562779246 /nfs/dbraw/zinc/77/92/46/562779246.db2.gz MIZPSDDIQOSQOK-PYAKLNENSA-N 0 3 680.271 5.123 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600994 562779381 /nfs/dbraw/zinc/77/93/81/562779381.db2.gz QSPQZTLSTLHHFB-YPMZNXIVSA-N 0 3 592.740 6.350 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095600969 562779406 /nfs/dbraw/zinc/77/94/06/562779406.db2.gz PIPSXTOHKBCCEO-SUCLBKFRSA-N 0 3 702.790 7.416 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601344 562779588 /nfs/dbraw/zinc/77/95/88/562779588.db2.gz MQYRYLVPTZBBHK-NUNJUMJCSA-N 0 3 714.826 7.286 1 0 KKAFHN CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095601605 562779669 /nfs/dbraw/zinc/77/96/69/562779669.db2.gz HBIOTSSIAUJKOB-OVWOLCBMSA-N 0 3 588.749 5.290 1 0 KKAFHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3ccc(-c4ccccc4)cc3)sc(-c3ccc(-c4ccccc4)cc3)c21 ZINC000095602257 562780000 /nfs/dbraw/zinc/78/00/00/562780000.db2.gz VUUZYEKQYFQPPB-UHFFFAOYSA-N 0 3 603.787 10.078 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603045 562780264 /nfs/dbraw/zinc/78/02/64/562780264.db2.gz UIKXZKCHSBRXDR-ZIZQKJAQSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603045 562780265 /nfs/dbraw/zinc/78/02/65/562780265.db2.gz UIKXZKCHSBRXDR-ZIZQKJAQSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095603407 562780513 /nfs/dbraw/zinc/78/05/13/562780513.db2.gz KTOLAWMRFLMANX-PNCWTNKOSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603692 562780614 /nfs/dbraw/zinc/78/06/14/562780614.db2.gz PIPSXTOHKBCCEO-IUVSGJEMSA-N 0 3 702.790 7.416 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095604615 562781123 /nfs/dbraw/zinc/78/11/23/562781123.db2.gz KVYNYDNSHYPGTF-CYCDCDHJSA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604897 562781288 /nfs/dbraw/zinc/78/12/88/562781288.db2.gz MURCZWOVERITEN-XIWHWFKQSA-N 0 3 629.779 5.632 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604897 562781289 /nfs/dbraw/zinc/78/12/89/562781289.db2.gz MURCZWOVERITEN-XIWHWFKQSA-N 0 3 629.779 5.632 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095605653 562781622 /nfs/dbraw/zinc/78/16/22/562781622.db2.gz LMVYLEREBXGKHC-IGHHUVOLSA-N 0 3 652.792 6.413 1 0 KKAFHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H](C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000095613114 562786085 /nfs/dbraw/zinc/78/60/85/562786085.db2.gz JHDFCRWAMRCRCA-SHLHIWSGSA-N 0 3 743.827 5.653 1 0 KKAFHN CN(C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(C)CC1 ZINC000095613252 562786163 /nfs/dbraw/zinc/78/61/63/562786163.db2.gz PLAKJZALDCQTJA-XIFFEERXSA-N 0 3 741.307 6.035 1 0 KKAFHN COCCN1CCC(N(CC2(O)CCN(c3ccc(C(F)(F)F)cc3)CC2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000095617326 562787970 /nfs/dbraw/zinc/78/79/70/562787970.db2.gz UVDICRRUXPZVEL-UHFFFAOYSA-N 0 3 758.854 6.562 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000095670082 562788268 /nfs/dbraw/zinc/78/82/68/562788268.db2.gz AJUAJKZVPJDBSA-DHLKQENFSA-N 0 3 538.404 6.350 1 0 KKAFHN COc1ccc(CN2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680094 562788381 /nfs/dbraw/zinc/78/83/81/562788381.db2.gz AYFIOZIDKGBGDF-IEOSBIPESA-N 0 3 602.757 5.563 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095826360 562789285 /nfs/dbraw/zinc/78/92/85/562789285.db2.gz FLOZMHQLKWUFJL-QWQFASRJSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095826360 562789286 /nfs/dbraw/zinc/78/92/86/562789286.db2.gz FLOZMHQLKWUFJL-QWQFASRJSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095826360 562789287 /nfs/dbraw/zinc/78/92/87/562789287.db2.gz FLOZMHQLKWUFJL-QWQFASRJSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095846147 562789415 /nfs/dbraw/zinc/78/94/15/562789415.db2.gz ACSVFUACEODJDN-OVWOLCBMSA-N 0 3 594.712 5.478 1 0 KKAFHN CC(=O)N1CCC(CN2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167369 562790483 /nfs/dbraw/zinc/79/04/83/562790483.db2.gz YGWRUECJIONJNP-JYFHCDHNSA-N 0 3 536.931 5.835 1 0 KKAFHN Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N(C)CCN4CCCC4)cc3)nc12 ZINC000096167818 562790688 /nfs/dbraw/zinc/79/06/88/562790688.db2.gz UXOBOKJPTKSDSK-UHFFFAOYSA-N 0 3 517.033 5.271 1 0 KKAFHN COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174203 562791785 /nfs/dbraw/zinc/79/17/85/562791785.db2.gz LUYNUXMXRMDOMC-PSXMRANNSA-N 0 3 696.734 5.694 1 0 KKAFHN CCc1[nH]nc2nc(Nc3cc(C)c(C4CCN(CCOC)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177919 562792473 /nfs/dbraw/zinc/79/24/73/562792473.db2.gz WHKITEXSDVHDKL-UHFFFAOYSA-N 0 3 649.862 6.506 1 0 KKAFHN COCCN1CCC(c2cc(OC(C)C)c(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096177917 562792482 /nfs/dbraw/zinc/79/24/82/562792482.db2.gz DLDMHQKDHQEYNJ-UHFFFAOYSA-N 0 3 635.835 6.252 1 0 KKAFHN Cc1c[nH]c2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177941 562792500 /nfs/dbraw/zinc/79/25/00/562792500.db2.gz QNJHIQJWHYMGFS-UHFFFAOYSA-N 0 3 590.794 6.840 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269487 562792960 /nfs/dbraw/zinc/79/29/60/562792960.db2.gz BHBIPNYAHFZVSM-AREMUKBSSA-N 0 3 551.750 8.592 1 0 KKAFHN C[C@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270064 562793132 /nfs/dbraw/zinc/79/31/32/562793132.db2.gz RKVRONUETMYAFM-QHCPKHFHSA-N 0 3 600.691 6.619 1 0 KKAFHN C[C@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270056 562793148 /nfs/dbraw/zinc/79/31/48/562793148.db2.gz HGRAQIZTJBXKFK-DEOSSOPVSA-N 0 3 614.718 7.009 1 0 KKAFHN C[C@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270054 562793156 /nfs/dbraw/zinc/79/31/56/562793156.db2.gz IDYOZSGAARAUPI-VWLOTQADSA-N 0 3 628.745 7.399 1 0 KKAFHN Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)cn2)c(OC(C)C)cc1C1CCN(C)CC1 ZINC000096272786 562794297 /nfs/dbraw/zinc/79/42/97/562794297.db2.gz WKRSBMFVSRVNIH-UHFFFAOYSA-N 0 3 571.187 7.309 1 0 KKAFHN CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(cc(-c4ccccn4)c3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096273402 562794467 /nfs/dbraw/zinc/79/44/67/562794467.db2.gz DSMMKQOEZAECLV-PUPDPRJKSA-N 0 3 632.805 5.547 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Br)c2)CC1 ZINC000096285339 562795506 /nfs/dbraw/zinc/79/55/06/562795506.db2.gz ZRBNRFQNYULVHS-LYZGTLIUSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1ccccc1[C@@H]1CN(C2CCCCC2)C(=O)N1C1CCN([C@@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285423 562795639 /nfs/dbraw/zinc/79/56/39/562795639.db2.gz MZSUZRLLPGOZDL-IADCTJSHSA-N 0 3 546.760 5.186 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccc(Br)cc2)CC1 ZINC000096285413 562795653 /nfs/dbraw/zinc/79/56/53/562795653.db2.gz OBLSTCGAGZPSCE-PIKZIKFNSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccc(Br)cc2)CC1 ZINC000096285414 562795657 /nfs/dbraw/zinc/79/56/57/562795657.db2.gz OBLSTCGAGZPSCE-KMRXNPHXSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000096285416 562795665 /nfs/dbraw/zinc/79/56/65/562795665.db2.gz OBLSTCGAGZPSCE-RBTNQOKQSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2F)CC1 ZINC000096285441 562795721 /nfs/dbraw/zinc/79/57/21/562795721.db2.gz KJRYGRVOCLJMQX-LYZGTLIUSA-N 0 3 550.723 5.017 1 0 KKAFHN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286088 562796034 /nfs/dbraw/zinc/79/60/34/562796034.db2.gz XTOCLIMUJPTPGR-SFHVURJKSA-N 0 3 590.709 5.245 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903102 562797822 /nfs/dbraw/zinc/79/78/22/562797822.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 0 3 791.739 9.136 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3F)ccn2)cc1F ZINC000096932632 562803463 /nfs/dbraw/zinc/80/34/63/562803463.db2.gz WUFAJLAYRRBRCG-UHFFFAOYSA-N 0 3 639.703 6.645 1 0 KKAFHN CN(C)c1ccc(Oc2cc(O)cc([O-])c2-c2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)no2)cc1 ZINC000096939426 562804784 /nfs/dbraw/zinc/80/47/84/562804784.db2.gz SPWSXLXQQDPOPR-UHFFFAOYSA-N 0 3 520.630 5.138 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCc2ccncc2)[C@H](C2=C(C)SCCS2)C1C(=O)OCc1ccncc1 ZINC000100033826 562806258 /nfs/dbraw/zinc/80/62/58/562806258.db2.gz RYPALGXDIDDMDF-APHLTRPNSA-N 0 3 509.653 5.582 1 0 KKAFHN COC(=O)C1=C(C)[NH+]=C(C)C(=C([O-])OC)N1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 ZINC000100883798 562808408 /nfs/dbraw/zinc/80/84/08/562808408.db2.gz NPRPVNMIHUVFLC-SJCQXOIGSA-N 0 3 591.709 5.145 1 0 KKAFHN CC(C)N1CCN([C@H]2CC[C@@](NC(=O)[C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000100916027 562808525 /nfs/dbraw/zinc/80/85/25/562808525.db2.gz QUXYPYOPGAKDPS-PTJQVGQKSA-N 0 3 569.634 6.808 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3C4)CC[C@@H]12 ZINC000101322991 562810332 /nfs/dbraw/zinc/81/03/32/562810332.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 0 3 510.744 6.321 1 0 KKAFHN C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000101645082 562811505 /nfs/dbraw/zinc/81/15/05/562811505.db2.gz XWWBOYDUGHVMQG-RPWUZVMVSA-N 0 3 526.633 5.201 1 0 KKAFHN O=C(CNC[C@@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696327 562811815 /nfs/dbraw/zinc/81/18/15/562811815.db2.gz QKYZJVXMIUJBOC-FQEVSTJZSA-N 0 3 569.683 5.372 1 0 KKAFHN COCCN1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696300 562811829 /nfs/dbraw/zinc/81/18/29/562811829.db2.gz MLIPALGNAIXVNA-UHFFFAOYSA-N 0 3 626.779 5.257 1 0 KKAFHN CN1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696466 562811909 /nfs/dbraw/zinc/81/19/09/562811909.db2.gz IQLIAFSKLHLNBU-UHFFFAOYSA-N 0 3 555.700 5.291 1 0 KKAFHN COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3N(C)CC2)CCN1C ZINC000102142246 562812745 /nfs/dbraw/zinc/81/27/45/562812745.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 0 3 606.719 6.743 1 0 KKAFHN CCCN(C(=O)Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198873 562816005 /nfs/dbraw/zinc/81/60/05/562816005.db2.gz LQKUTPDIDRQGMQ-SSEXGKCCSA-N 0 3 561.792 5.427 1 0 KKAFHN CCCC[C@@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103214759 562816974 /nfs/dbraw/zinc/81/69/74/562816974.db2.gz YWEINOSANVASTB-HHHXNRCGSA-N 0 3 563.783 7.272 1 0 KKAFHN CCCC[C@@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103214759 562816975 /nfs/dbraw/zinc/81/69/75/562816975.db2.gz YWEINOSANVASTB-HHHXNRCGSA-N 0 3 563.783 7.272 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103217233 562817206 /nfs/dbraw/zinc/81/72/06/562817206.db2.gz ADFBYICNEHVZQD-VWLOTQADSA-N 0 3 579.782 7.108 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103217233 562817207 /nfs/dbraw/zinc/81/72/07/562817207.db2.gz ADFBYICNEHVZQD-VWLOTQADSA-N 0 3 579.782 7.108 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN(C)C)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228604 562818009 /nfs/dbraw/zinc/81/80/09/562818009.db2.gz IWJWEGAAZWVCFU-UHFFFAOYSA-N 0 3 507.587 5.166 1 0 KKAFHN NC(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103228781 562818081 /nfs/dbraw/zinc/81/80/81/562818081.db2.gz MNIJWJCCHXLKST-XKSFVOKXSA-N 0 3 513.896 7.077 1 0 KKAFHN CCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234227 562818548 /nfs/dbraw/zinc/81/85/48/562818548.db2.gz IAXNTVHBJQKCBB-UHFFFAOYSA-N 0 3 601.619 5.736 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccn3)cc2)CC1 ZINC000103240438 562819448 /nfs/dbraw/zinc/81/94/48/562819448.db2.gz BVLCELFVCZYGBZ-UMSFTDKQSA-N 0 3 587.772 5.183 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccc(F)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240431 562819454 /nfs/dbraw/zinc/81/94/54/562819454.db2.gz UYJHSEVBDADVIO-PGUFJCEWSA-N 0 3 604.774 5.927 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccncc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240392 562819460 /nfs/dbraw/zinc/81/94/60/562819460.db2.gz ZSZLFTIBFWOBBQ-UMSFTDKQSA-N 0 3 587.772 5.183 1 0 KKAFHN Cc1ccc(CNCCN2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264916 562822026 /nfs/dbraw/zinc/82/20/26/562822026.db2.gz LBQCDLROZAZEQI-UHFFFAOYSA-N 0 3 618.704 7.230 1 0 KKAFHN Cc1ccc(CN2CCC(O)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264928 562822035 /nfs/dbraw/zinc/82/20/35/562822035.db2.gz RJRVORUDGXGHOB-UHFFFAOYSA-N 0 3 591.634 6.612 1 0 KKAFHN CCCN(C)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000103264957 562822053 /nfs/dbraw/zinc/82/20/53/562822053.db2.gz JBOXLNYDWBMKKR-UHFFFAOYSA-N 0 3 563.624 7.497 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N[C@@H]5CCC[NH2+]C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114034360 562827002 /nfs/dbraw/zinc/82/70/02/562827002.db2.gz MGEPPNAWRUVOBH-HXUWFJFHSA-N 0 3 544.055 6.165 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037139 562827092 /nfs/dbraw/zinc/82/70/92/562827092.db2.gz ZJPPYHGKOYJMCX-IBGZPJMESA-N 0 3 530.028 5.538 1 0 KKAFHN COc1cc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114098355 562827564 /nfs/dbraw/zinc/82/75/64/562827564.db2.gz GZHUKRDKTDCKQD-OAQYLSRUSA-N 0 3 505.030 5.156 1 0 KKAFHN COc1c(C)cccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099840 562827619 /nfs/dbraw/zinc/82/76/19/562827619.db2.gz VVFHLEGKGYADNF-HSZRJFAPSA-N 0 3 501.067 5.325 1 0 KKAFHN COc1cccc(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099584 562827630 /nfs/dbraw/zinc/82/76/30/562827630.db2.gz COPODLXHIVJYHK-HSZRJFAPSA-N 0 3 501.067 5.407 1 0 KKAFHN O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114600477 562828370 /nfs/dbraw/zinc/82/83/70/562828370.db2.gz MAKSMZIXXYIHFQ-UHFFFAOYSA-N 0 3 502.011 5.322 1 0 KKAFHN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN(C)C)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114756847 562828413 /nfs/dbraw/zinc/82/84/13/562828413.db2.gz PQKDTUQQZKJBBH-UHFFFAOYSA-N 0 3 509.614 5.596 1 0 KKAFHN CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 ZINC000116053480 562829138 /nfs/dbraw/zinc/82/91/38/562829138.db2.gz QPCRZCGEDLLNBJ-MUUNZHRXSA-N 0 3 610.734 5.176 1 0 KKAFHN CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)nc1 ZINC000116055355 562829229 /nfs/dbraw/zinc/82/92/29/562829229.db2.gz IDITYFDOXWBOKM-MUUNZHRXSA-N 0 3 627.786 5.978 1 0 KKAFHN CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000118341839 562830230 /nfs/dbraw/zinc/83/02/30/562830230.db2.gz CMJJSVIOGHESIX-ILHLOOHCSA-N 0 3 592.071 5.969 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456616 562831897 /nfs/dbraw/zinc/83/18/97/562831897.db2.gz HTKOYCJPNGGNLS-UHFFFAOYSA-N 0 3 605.017 5.103 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[C@@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3C4)CC[C@@H]12 ZINC000140458301 562833051 /nfs/dbraw/zinc/83/30/51/562833051.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 0 3 510.744 6.321 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@@H](C)c1ccccc1)CC2 ZINC000143034157 562834486 /nfs/dbraw/zinc/83/44/86/562834486.db2.gz OIYMBMDXDPXFAN-NRFANRHFSA-N 0 3 524.669 5.354 1 0 KKAFHN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3Cl)nc1-2 ZINC000143114329 562834621 /nfs/dbraw/zinc/83/46/21/562834621.db2.gz TYLMXZYUZRGYOA-UHFFFAOYSA-N 0 3 515.061 5.821 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)C(C)(C)O3)n1 ZINC000145971463 562837863 /nfs/dbraw/zinc/83/78/63/562837863.db2.gz FTWOSZSHSPDTLL-UHFFFAOYSA-N 0 3 585.583 5.218 1 0 KKAFHN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000146039937 562838012 /nfs/dbraw/zinc/83/80/12/562838012.db2.gz ZFGRMWBYHAUOCE-YTTGMZPUSA-N 0 3 557.760 7.018 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCCN(C)C)nc43)c2)cc1C(F)(F)F ZINC000148066291 562840078 /nfs/dbraw/zinc/84/00/78/562840078.db2.gz HWDZPPMDPBKAFD-UHFFFAOYSA-N 0 3 560.968 5.070 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148147619 562840331 /nfs/dbraw/zinc/84/03/31/562840331.db2.gz NDXXPWJSHFKCHK-UHFFFAOYSA-N 0 3 625.675 5.679 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148152664 562840344 /nfs/dbraw/zinc/84/03/44/562840344.db2.gz MKPGEWULCYMBMM-UHFFFAOYSA-N 0 3 607.685 5.731 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000148170787 562840400 /nfs/dbraw/zinc/84/04/00/562840400.db2.gz QPFFJQYDLOSUHI-UHFFFAOYSA-N 0 3 595.674 5.809 1 0 KKAFHN CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(OCCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148165791 562840419 /nfs/dbraw/zinc/84/04/19/562840419.db2.gz XOFAHDWGCDTDHU-UHFFFAOYSA-N 0 3 582.631 5.530 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2Cl)n1 ZINC000148441555 562841293 /nfs/dbraw/zinc/84/12/93/562841293.db2.gz AKQKOKBVFPPNLV-UHFFFAOYSA-N 0 3 535.954 5.517 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2)n1 ZINC000148439403 562841312 /nfs/dbraw/zinc/84/13/12/562841312.db2.gz CCEJPJMKRNUWMZ-UHFFFAOYSA-N 0 3 519.499 5.003 1 0 KKAFHN CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148752550 562841799 /nfs/dbraw/zinc/84/17/99/562841799.db2.gz CDIRFGIFXIGSSF-UHFFFAOYSA-N 0 3 598.132 5.480 1 0 KKAFHN COc1cccc(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148846435 562841918 /nfs/dbraw/zinc/84/19/18/562841918.db2.gz COPODLXHIVJYHK-QHCPKHFHSA-N 0 3 501.067 5.407 1 0 KKAFHN C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1S(C)(=O)=O ZINC000149316103 562842610 /nfs/dbraw/zinc/84/26/10/562842610.db2.gz IIYNOYBNJALAMM-HQXPOKEDSA-N 0 3 620.669 5.042 1 0 KKAFHN COc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCN(CCCCCCCN2CCN(c3cc(NC(=O)c4cccc(Br)c4)ccc3OC)CC2)CC1 ZINC000150575202 562845277 /nfs/dbraw/zinc/84/52/77/562845277.db2.gz NDAWSAUTNGEJHD-UHFFFAOYSA-N 0 3 876.735 8.628 1 0 KKAFHN CC[C@]12C=CCN3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6([C@@H](C)O)C=CCN7CC[C@]54[C@@H]76)C1)[C@@H]32 ZINC000150593869 562846428 /nfs/dbraw/zinc/84/64/28/562846428.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 0 3 672.826 5.332 1 0 KKAFHN NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCCN2CCCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593684 562846430 /nfs/dbraw/zinc/84/64/30/562846430.db2.gz MKKJIZLBKPCEJF-SFHVURJKSA-N 0 3 647.395 5.442 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H]2CC[C@H](NS(C)(=O)=O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000164779378 562849742 /nfs/dbraw/zinc/84/97/42/562849742.db2.gz KVGNQDANXXNKBE-JQKNNJKDSA-N 0 3 671.638 5.246 1 0 KKAFHN Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(CN6CCCOCC6)cc5)c4)CC3)cn21 ZINC000167575712 562850973 /nfs/dbraw/zinc/85/09/73/562850973.db2.gz NVWPLACNJIFCAK-MEKGRNQZSA-N 0 3 676.793 6.329 1 0 KKAFHN Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(O)cc5CN(C)C)c4)CC3)cn21 ZINC000168013613 562851226 /nfs/dbraw/zinc/85/12/26/562851226.db2.gz KGEIAZQIRCWTQH-MKPDMIMOSA-N 0 3 636.728 5.874 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCC1 ZINC000169290861 562851813 /nfs/dbraw/zinc/85/18/13/562851813.db2.gz KIMKESVEZODZRF-VWNXMTODSA-N 0 3 526.690 6.012 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@H]1CN1CC[C@@H](O)C1 ZINC000169295946 562852438 /nfs/dbraw/zinc/85/24/38/562852438.db2.gz XACYZNUBDRDHNM-IZZNHLLZSA-N 0 3 548.609 5.977 1 0 KKAFHN CN(C)C(=O)NCCCN(C)C1=Nc2ccccc2[C@H](CC(=O)NCc2ccc(F)cc2)N1c1ccc(-c2ccccc2)cc1 ZINC000169307071 562853700 /nfs/dbraw/zinc/85/37/00/562853700.db2.gz UCEDESPOEVHPGY-XIFFEERXSA-N 0 3 606.746 6.341 1 0 KKAFHN CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000169311333 562855153 /nfs/dbraw/zinc/85/51/53/562855153.db2.gz GTUOWTDQBSZCDW-UHFFFAOYSA-N 0 3 551.946 6.182 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169322869 562856880 /nfs/dbraw/zinc/85/68/80/562856880.db2.gz BBJHCVZDXGBOFA-UHFFFAOYSA-N 0 3 654.299 8.816 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)NCCN(C)C)C(C)C ZINC000169323168 562856934 /nfs/dbraw/zinc/85/69/34/562856934.db2.gz AYLQFSBXZTZHLQ-CIOKFHMQSA-N 0 3 711.956 5.016 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169324458 562857350 /nfs/dbraw/zinc/85/73/50/562857350.db2.gz NJXPEKXGZUMZGA-UHFFFAOYSA-N 0 3 584.164 6.866 1 0 KKAFHN CCN(CC)C[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335760 562859710 /nfs/dbraw/zinc/85/97/10/562859710.db2.gz CPGOGJLJZHZUAI-QHCPKHFHSA-N 0 3 504.266 6.316 1 0 KKAFHN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343516 562861176 /nfs/dbraw/zinc/86/11/76/562861176.db2.gz QXBBLTVHGIMTJE-QEZSNJNGSA-N 0 3 699.814 8.614 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3Nc3ccc(-c4ccccc4)nn3)c3c2c(Cl)ccc3O)CC1 ZINC000169347480 562861987 /nfs/dbraw/zinc/86/19/87/562861987.db2.gz HHZQQMPHZMXNOW-UHFFFAOYSA-N 0 3 554.138 7.778 1 0 KKAFHN COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348464 562862249 /nfs/dbraw/zinc/86/22/49/562862249.db2.gz CUMOJFMXBRIZKB-DHUJRADRSA-N 0 3 676.814 5.225 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350404 562862831 /nfs/dbraw/zinc/86/28/31/562862831.db2.gz OHOIQYVRPXKLSA-UHFFFAOYSA-N 0 3 670.717 5.437 1 0 KKAFHN CCC(=O)N[C@@H](C)c1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698636 562867420 /nfs/dbraw/zinc/86/74/20/562867420.db2.gz WNVRWVQIFDEZCR-NRFANRHFSA-N 0 3 589.766 5.155 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(F)cc1Cl)CC2 ZINC000169702248 562868268 /nfs/dbraw/zinc/86/82/68/562868268.db2.gz HCWWZYASFRCPGC-UHFFFAOYSA-N 0 3 549.050 5.662 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702379 562868343 /nfs/dbraw/zinc/86/83/43/562868343.db2.gz GTPOHQOIKVIZTP-UHFFFAOYSA-N 0 3 584.124 5.405 1 0 KKAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711511 562870989 /nfs/dbraw/zinc/87/09/89/562870989.db2.gz PVPYYKGOLJMILD-UHFFFAOYSA-N 0 3 557.651 5.103 1 0 KKAFHN CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1C(=O)c1ccc2c(c1OC)OCO2 ZINC000195969857 562872411 /nfs/dbraw/zinc/87/24/11/562872411.db2.gz ZGTFYUUHNMVNKA-NEWDRJDRSA-N 0 3 686.795 6.020 1 0 KKAFHN CCNCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000205042820 562874877 /nfs/dbraw/zinc/87/48/77/562874877.db2.gz VRRBZWNVOSJGLI-JOCHJYFZSA-N 0 3 538.570 5.174 1 0 KKAFHN Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(NC3CCC3)n2n1 ZINC000205492259 562875479 /nfs/dbraw/zinc/87/54/79/562875479.db2.gz YYHDAVACMYFRID-UHFFFAOYSA-N 0 3 568.689 5.511 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000205592247 562875576 /nfs/dbraw/zinc/87/55/76/562875576.db2.gz KMMFIXOTKGBTSZ-UHFFFAOYSA-N 0 3 597.804 7.595 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4ccc(Cl)cc4nc4c3CCCC4)cc12 ZINC000205597057 562875583 /nfs/dbraw/zinc/87/55/83/562875583.db2.gz RISDMIZNEKTMBT-UHFFFAOYSA-N 0 3 520.033 5.127 1 0 KKAFHN CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)nc2)cc(N(CC)C2CCOCC2)c1C ZINC000205713511 562875745 /nfs/dbraw/zinc/87/57/45/562875745.db2.gz NWQWVNMSRQPVFF-UHFFFAOYSA-N 0 3 683.942 5.158 1 0 KKAFHN F[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](F)CN7)cc6o5)cn4)[nH]c3c2)NC1 ZINC000206954463 562876609 /nfs/dbraw/zinc/87/66/09/562876609.db2.gz JWTOOWJMTUJDRX-UHFFFAOYSA-N 0 3 510.548 5.019 1 0 KKAFHN CC1CCC(Cn2c(N3CCO[C@@H]4CN(Cc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642498 562876920 /nfs/dbraw/zinc/87/69/20/562876920.db2.gz PDFUVLMSDRPILV-MMJGTUOCSA-N 0 3 655.203 5.796 1 0 KKAFHN Cc1ncsc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000219072726 562877966 /nfs/dbraw/zinc/87/79/66/562877966.db2.gz RWBFFGLASJRBLC-YTTGMZPUSA-N 0 3 599.845 8.096 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4NC(C)=O)cc3)ccc2OC)c1 ZINC000299826274 562883834 /nfs/dbraw/zinc/88/38/34/562883834.db2.gz FRZMIQPZPASLSV-UHFFFAOYSA-N 0 3 579.697 6.722 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cccc(-c3cccc(OC4CCN(C)CC4)c3)c2)ccc1OC(C)=O ZINC000299827285 562884113 /nfs/dbraw/zinc/88/41/13/562884113.db2.gz GBWGUDYPJZQMRP-UHFFFAOYSA-N 0 3 512.650 6.513 1 0 KKAFHN O=C(CN(CC(=O)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCCN1CCCC1 ZINC000299829868 562885008 /nfs/dbraw/zinc/88/50/08/562885008.db2.gz MRUDJHOQXKZFPR-UHFFFAOYSA-N 0 3 567.517 5.347 1 0 KKAFHN C[C@@H](CN(C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000299831240 562885508 /nfs/dbraw/zinc/88/55/08/562885508.db2.gz DOEXDZYESJXDJG-PUNARZIMSA-N 0 3 729.891 6.294 1 0 KKAFHN CN(CCc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299832110 562885786 /nfs/dbraw/zinc/88/57/86/562885786.db2.gz RRGGGIQHTKRDSQ-UHFFFAOYSA-N 0 3 583.560 5.505 1 0 KKAFHN CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)C(=O)NCCN(C)C)sc1C ZINC000299832568 562885880 /nfs/dbraw/zinc/88/58/80/562885880.db2.gz JVBABXCWGNKUHQ-XMMPIXPASA-N 0 3 546.659 5.109 1 0 KKAFHN CN(CCCNc1ccnc2cc(Cl)ccc21)Cc1cc(=O)c(OCc2ccccc2)cn1C1CC1 ZINC000299834046 562886384 /nfs/dbraw/zinc/88/63/84/562886384.db2.gz BASQNHWJHDNLLO-UHFFFAOYSA-N 0 3 503.046 5.898 1 0 KKAFHN COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3cccc(F)c3)ccc2OC)c1 ZINC000299834778 562886557 /nfs/dbraw/zinc/88/65/57/562886557.db2.gz CHWFFKWVJRAWJW-UHFFFAOYSA-N 0 3 568.689 6.622 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(N)c4)cc3)ccc2OC)c1 ZINC000299836460 562887169 /nfs/dbraw/zinc/88/71/69/562887169.db2.gz NHKHKWNQHBJJKS-UHFFFAOYSA-N 0 3 537.660 6.345 1 0 KKAFHN CCCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1C ZINC000299836477 562887193 /nfs/dbraw/zinc/88/71/93/562887193.db2.gz NITWYWFBQXEHJU-NDEPHWFRSA-N 0 3 539.642 5.652 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@H+](C)C3CCCCC3)cc2)c([O-])cc1O ZINC000299838613 562887885 /nfs/dbraw/zinc/88/78/85/562887885.db2.gz VOHTVEKGONPVHC-UHFFFAOYSA-N 0 3 503.643 6.656 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+](C)C3CCCCC3)cc2)c([O-])cc1O ZINC000299838613 562887886 /nfs/dbraw/zinc/88/78/86/562887886.db2.gz VOHTVEKGONPVHC-UHFFFAOYSA-N 0 3 503.643 6.656 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299855232 562891618 /nfs/dbraw/zinc/89/16/18/562891618.db2.gz ATFSKIZVJOMGAR-MGBGTMOVSA-N 0 3 529.725 6.617 1 0 KKAFHN O=C(CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 ZINC000299860029 562892874 /nfs/dbraw/zinc/89/28/74/562892874.db2.gz GIOPGAVNQXYTEM-BHVANESWSA-N 0 3 592.828 6.392 1 0 KKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc1)CC2 ZINC000299862994 562893721 /nfs/dbraw/zinc/89/37/21/562893721.db2.gz OHIVLDZJOUAGMQ-LJAQVGFWSA-N 0 3 663.796 7.088 1 0 KKAFHN Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N[C@@H]3CCN(C)C3)n2)c1 ZINC000299872073 562895839 /nfs/dbraw/zinc/89/58/39/562895839.db2.gz ZVWGEJGFGJKETG-HSZRJFAPSA-N 0 3 598.647 5.132 1 0 KKAFHN COc1cc(CN(CCc2c(C)[nH]c3ccc(Br)cc32)Cc2cc3c(c(OC)c2)OCO3)cc2c1OCO2 ZINC000473084159 562896895 /nfs/dbraw/zinc/89/68/95/562896895.db2.gz QQYOGULZDAIFPG-UHFFFAOYSA-N 0 3 581.463 5.958 1 0 KKAFHN CCN(CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473114026 562898856 /nfs/dbraw/zinc/89/88/56/562898856.db2.gz LJSZZRNHEBXEOA-UHFFFAOYSA-N 0 3 575.702 6.956 1 0 KKAFHN CC[N@H+](CCCCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117294 562899167 /nfs/dbraw/zinc/89/91/67/562899167.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 0 3 561.675 6.653 1 0 KKAFHN CC[N@@H+](CCCCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117294 562899168 /nfs/dbraw/zinc/89/91/68/562899168.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 0 3 561.675 6.653 1 0 KKAFHN COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C1CC1)C1CC1 ZINC000473127238 562899808 /nfs/dbraw/zinc/89/98/08/562899808.db2.gz VGQBOXGKYXVVED-NSCUHMNNSA-N 0 3 526.012 5.313 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc1)CC2 ZINC000473135522 562900817 /nfs/dbraw/zinc/90/08/17/562900817.db2.gz JCSXIYAZSLTKKK-UHFFFAOYSA-N 0 3 613.780 6.283 1 0 KKAFHN COc1ccc(C(=O)OCCN(C)C)cc1NC(=O)Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1 ZINC000473146122 562901333 /nfs/dbraw/zinc/90/13/33/562901333.db2.gz CSLMGVWYJPEVLR-UHFFFAOYSA-N 0 3 502.493 5.138 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473159096 562902684 /nfs/dbraw/zinc/90/26/84/562902684.db2.gz GAPYLQYHVCOVEC-TZYHBYERSA-N 0 3 550.099 5.321 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473159096 562902685 /nfs/dbraw/zinc/90/26/85/562902685.db2.gz GAPYLQYHVCOVEC-TZYHBYERSA-N 0 3 550.099 5.321 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000473182561 562903463 /nfs/dbraw/zinc/90/34/63/562903463.db2.gz PYEKSCSBXYVZAI-UEDWGHLCSA-N 0 3 508.062 5.816 1 0 KKAFHN O=C([O-])CCN1CC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215527 562904123 /nfs/dbraw/zinc/90/41/23/562904123.db2.gz XOOYTDBKHPSAED-KEQUZKIMSA-N 0 3 504.719 5.827 1 0 KKAFHN O=C([O-])CCN1CC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215527 562904124 /nfs/dbraw/zinc/90/41/24/562904124.db2.gz XOOYTDBKHPSAED-KEQUZKIMSA-N 0 3 504.719 5.827 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCCN1CCN(CCCN(CC2CC2)N2CCCCCC2)CC1 ZINC000473235073 562904596 /nfs/dbraw/zinc/90/45/96/562904596.db2.gz JQTIXNOGQFFIIJ-UHFFFAOYSA-N 0 3 513.174 5.201 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccc(C(C)(C)C)cc4)nn3)cc1)CC2 ZINC000653720522 562908720 /nfs/dbraw/zinc/90/87/20/562908720.db2.gz FDMDSXAVZYRXDW-UHFFFAOYSA-N 0 3 526.681 5.762 1 0 KKAFHN CC(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653725392 562909090 /nfs/dbraw/zinc/90/90/90/562909090.db2.gz QEVHCMBXNZLCDJ-UHFFFAOYSA-N 0 3 556.592 6.002 1 0 KKAFHN CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1ccc3c(c1)CCC[C@H]3CCC(=O)N1CCN(C3CCCCC3)CC1)C2=O ZINC000653791386 562912690 /nfs/dbraw/zinc/91/26/90/562912690.db2.gz PMADXNIXEGVGGP-LJAQVGFWSA-N 0 3 642.885 6.665 1 0 KKAFHN CCN1CCN(c2ccc3[nH]c(-c4n[nH]c5ccc(O[C@@H](C)c6c(Cl)cncc6Cl)cc54)nc3c2)CC1 ZINC000653825433 562914396 /nfs/dbraw/zinc/91/43/96/562914396.db2.gz WTYAEMYGNSRASK-INIZCTEOSA-N 0 3 536.467 6.090 1 0 KKAFHN CCN1CCN(c2ccc3nc(-c4n[nH]c5ccc(O[C@@H](C)c6c(Cl)cncc6Cl)cc54)[nH]c3c2)CC1 ZINC000653825433 562914397 /nfs/dbraw/zinc/91/43/97/562914397.db2.gz WTYAEMYGNSRASK-INIZCTEOSA-N 0 3 536.467 6.090 1 0 KKAFHN CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 ZINC000653867802 562916296 /nfs/dbraw/zinc/91/62/96/562916296.db2.gz UKTICNMOUVEYRR-UHFFFAOYSA-N 0 3 527.591 5.253 1 0 KKAFHN CC1(C)CCc2c(nc3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCC(C)(C)C3)C1 ZINC000653869263 562916330 /nfs/dbraw/zinc/91/63/30/562916330.db2.gz QCGYZXYLGVAQNY-UHFFFAOYSA-N 0 3 603.682 9.048 1 0 KKAFHN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc21 ZINC000653872525 562916466 /nfs/dbraw/zinc/91/64/66/562916466.db2.gz RQVAKFTYFHCKSG-IOWSJCHKSA-N 0 3 533.672 5.378 1 0 KKAFHN Fc1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653874620 562916573 /nfs/dbraw/zinc/91/65/73/562916573.db2.gz PACAPUHORPYHJT-XMMPIXPASA-N 0 3 509.075 6.744 1 0 KKAFHN Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc43)cc2Cl)c1 ZINC000653900963 562917519 /nfs/dbraw/zinc/91/75/19/562917519.db2.gz XKKGXXXXAQKVRW-UHFFFAOYSA-N 0 3 565.118 6.517 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653915957 562917842 /nfs/dbraw/zinc/91/78/42/562917842.db2.gz ICUHVVVPTPNHMX-UHFFFAOYSA-N 0 3 646.123 5.678 1 0 KKAFHN COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000653915958 562917855 /nfs/dbraw/zinc/91/78/55/562917855.db2.gz JUZGQKDSNUFOCQ-XZWHSSHBSA-N 0 3 537.660 5.457 1 0 KKAFHN COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)N(C)CC4)cc1 ZINC000058548607 565115133 /nfs/dbraw/zinc/11/51/33/565115133.db2.gz TUVJHVFGUYHZJS-VMPREFPWSA-N 0 3 668.787 6.457 1 0 biogenic,in-vitro KKAFHN COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000085493078 565127954 /nfs/dbraw/zinc/12/79/54/565127954.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 0 3 682.814 6.794 1 0 biogenic,in-vitro KKAFHN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36CCCC[C@H]3CC[C@@H](C)N6)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567455 565142405 /nfs/dbraw/zinc/14/24/05/565142405.db2.gz AWUUCRDVMDMPOJ-KYPIDKDMSA-N 0 3 644.765 5.847 1 0 biogenic,in-vitro KKAFHN COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@@H](c2cccc(CO)c2)C2CCCC2)cc1O ZINC000085568429 565143593 /nfs/dbraw/zinc/14/35/93/565143593.db2.gz KSXGVARUVQLNFJ-NXLXXTAESA-N 0 3 679.810 7.174 1 0 biogenic,in-vitro KKAFHN CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2CC(C)C)c1 ZINC000085632256 565165920 /nfs/dbraw/zinc/16/59/20/565165920.db2.gz HJLRYZQRNPKACG-MMAPGKBZSA-N 0 3 643.801 5.600 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCCCC2)c1)CO4 ZINC000085567430 291940636 /nfs/dbraw/zinc/94/06/36/291940636.db2.gz WOHWYPXTKIFLKP-MXRNECNHSA-N 0 3 752.905 6.636 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCC3(CCCC3)CC2)c1)CO4 ZINC000085567408 519085891 /nfs/dbraw/zinc/08/58/91/519085891.db2.gz FFYVKJNSTOAQRX-SJWHPATQSA-N 0 3 806.997 7.807 1 0 biogenic,in-vitro KKAFHN CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@@H](NC)/C=C/[C@@]45CCC6=C(C(=O)O/C6=C\C[C@H](C)CO)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571307 519089037 /nfs/dbraw/zinc/08/90/37/519089037.db2.gz ARNKLYPFFPPKKR-IUWJTWRTSA-N 0 3 735.921 8.915 1 0 biogenic,in-vitro KKAFHN Cc1ccc(-c2cccc3c(NC(=O)Nc4ccc5nccc(N6CCN(C)CC6)c5c4)cccc23)cn1 ZINC000001490029 561676245 /nfs/dbraw/zinc/67/62/45/561676245.db2.gz ORTGNQGEQSBVFU-UHFFFAOYSA-N 0 3 502.622 6.154 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)CC1 ZINC000003801039 561682519 /nfs/dbraw/zinc/68/25/19/561682519.db2.gz XDXADXHUOLHEOB-UHFFFAOYSA-N 0 3 529.574 6.767 1 0 KKAFHN CN(C)CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003932385 561687780 /nfs/dbraw/zinc/68/77/80/561687780.db2.gz ZJEJBRMLBWRVFN-DEOSSOPVSA-N 0 3 555.563 6.167 1 0 KKAFHN CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000003937997 561688776 /nfs/dbraw/zinc/68/87/76/561688776.db2.gz NJVFOFMHUJJIMB-UHFFFAOYSA-N 0 3 517.647 6.273 1 0 investigational KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN[C@H]5C2)CCN1C ZINC000003954486 561690855 /nfs/dbraw/zinc/69/08/55/561690855.db2.gz DJAWTLHBPPQMPV-SVBPBHIXSA-N 0 3 562.666 6.909 3 0 KKAFHN COc1ccccc1CN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1 ZINC000003955800 561690906 /nfs/dbraw/zinc/69/09/06/561690906.db2.gz AUTGSYVNUTZONK-UHFFFAOYSA-N 0 3 514.510 6.251 1 0 KKAFHN CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2OC(C)C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425231 561694968 /nfs/dbraw/zinc/69/49/68/561694968.db2.gz KTYIETCDDNNOLD-VWLOTQADSA-N 0 3 546.520 6.618 1 0 KKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000006744679 561703168 /nfs/dbraw/zinc/70/31/68/561703168.db2.gz CPLGYLJHIKGTTM-UHFFFAOYSA-N 0 3 503.090 6.970 1 0 KKAFHN COC(=O)c1cccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585198 561705868 /nfs/dbraw/zinc/70/58/68/561705868.db2.gz MTMAYQKEAVNSAJ-KRKCRBJRSA-N 0 3 536.075 6.605 3 0 KKAFHN COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585810 561705918 /nfs/dbraw/zinc/70/59/18/561705918.db2.gz KUOJETNPGHHXFO-DYAPXYCXSA-N 0 3 536.075 6.605 3 0 KKAFHN Cc1ccc(-n2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597731 561706189 /nfs/dbraw/zinc/70/61/89/561706189.db2.gz LOZULCBPVXSHHA-UHFFFAOYSA-N 0 3 571.766 5.998 1 0 KKAFHN C[C@H](Nc1nccc(-c2cc(N(C)CCN(C)C)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439143 561712239 /nfs/dbraw/zinc/71/22/39/561712239.db2.gz MEMWBKJNZJSCOG-IBGZPJMESA-N 0 3 521.591 5.790 1 0 KKAFHN COc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443626 561712966 /nfs/dbraw/zinc/71/29/66/561712966.db2.gz BYJSSJUUKGUDHW-SANMLTNESA-N 0 3 540.680 5.242 1 0 KKAFHN Cc1c(-c2ccc(C(C)C)cc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559583 561719489 /nfs/dbraw/zinc/71/94/89/561719489.db2.gz BUKGCCJDMKPLDD-UHFFFAOYSA-N 0 3 532.635 5.005 1 0 KKAFHN Cc1cc(C)c(S(=O)(=O)N2CCC(C)(N3CCC(N(c4ccccc4)c4ccccc4)CC3)CC2)c(C)c1 ZINC000013560302 561719700 /nfs/dbraw/zinc/71/97/00/561719700.db2.gz XAKCAJVBHUYUGU-UHFFFAOYSA-N 0 3 531.766 6.458 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Br)cc2)c1 ZINC000013643359 561722323 /nfs/dbraw/zinc/72/23/23/561722323.db2.gz KREFHLJLUUEHNH-UHFFFAOYSA-N 0 3 512.423 5.251 1 0 KKAFHN Cc1c(Cl)nc2ccccc2c1C(=O)NCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000013644348 561722428 /nfs/dbraw/zinc/72/24/28/561722428.db2.gz VRNGRBIMQBSIJF-UHFFFAOYSA-N 0 3 515.101 7.416 1 0 KKAFHN Cc1ccc(O)c(N(CCCN2CCC([C@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000013651776 561723111 /nfs/dbraw/zinc/72/31/11/561723111.db2.gz SIWVJCRPVXMIBY-HKBQPEDESA-N 0 3 507.118 6.607 1 0 KKAFHN CN1CCCC[C@H]1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000013674191 561723848 /nfs/dbraw/zinc/72/38/48/561723848.db2.gz YQBRYEMSCWENAH-SFHVURJKSA-N 0 3 508.403 6.114 1 0 KKAFHN O=C(CCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679411 561724540 /nfs/dbraw/zinc/72/45/40/561724540.db2.gz DJYUJPYMPVRRIB-UHFFFAOYSA-N 0 3 503.090 6.970 1 0 KKAFHN COc1ccc2c(c1)sc(-c1ccc3c(c1)OCO3)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834317 561734189 /nfs/dbraw/zinc/73/41/89/561734189.db2.gz XSUIKTBKQAZBLT-UHFFFAOYSA-N 0 3 515.631 6.401 1 0 KKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C/C=C/c3ccccc3)C[C@@H]2C)cc1 ZINC000013862311 561734784 /nfs/dbraw/zinc/73/47/84/561734784.db2.gz HQFRWUIYOKLMKL-RAIFYMORSA-N 0 3 511.710 6.739 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014294860 561739499 /nfs/dbraw/zinc/73/94/99/561739499.db2.gz UJELWGXJMXZTIC-GDLZYMKVSA-N 0 3 567.677 5.564 1 0 KKAFHN COc1c(Br)cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953536 561746649 /nfs/dbraw/zinc/74/66/49/561746649.db2.gz BDYFOSDTBNSZBW-UHFFFAOYSA-N 0 3 593.349 6.427 1 0 KKAFHN O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Nc2ccncc2)CC1 ZINC000014959715 561748203 /nfs/dbraw/zinc/74/82/03/561748203.db2.gz MGMRQNKJMRCNMF-UHFFFAOYSA-N 0 3 518.042 6.171 1 0 KKAFHN CC(C)N1CCC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000014962998 561748707 /nfs/dbraw/zinc/74/87/07/561748707.db2.gz BKHYXAHELNMVSF-UHFFFAOYSA-N 0 3 545.902 6.750 1 0 KKAFHN OC[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000017194643 561754279 /nfs/dbraw/zinc/75/42/79/561754279.db2.gz YAEJOANLERDYGA-WNQXLSPZSA-N 0 3 523.673 5.619 1 0 KKAFHN CN(C)Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000014963636 561749189 /nfs/dbraw/zinc/74/91/89/561749189.db2.gz MQKQSGLRSREOQS-UHFFFAOYSA-N 0 3 532.880 7.428 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 ZINC000014970374 561750968 /nfs/dbraw/zinc/75/09/68/561750968.db2.gz BLVAQCTVXRMXDP-GDLZYMKVSA-N 0 3 545.691 5.212 1 0 KKAFHN COc1cc([C@@H](CCN2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000017545791 561755971 /nfs/dbraw/zinc/75/59/71/561755971.db2.gz CEXHKARDBJYWJT-RUZDIDTESA-N 0 3 588.701 5.489 3 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CCN1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545803 561755977 /nfs/dbraw/zinc/75/59/77/561755977.db2.gz BNFZUJXLJVBSSL-QHCPKHFHSA-N 0 3 553.696 6.187 3 0 KKAFHN COc1cc(OC)c([C@H](CCN2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12 ZINC000017545761 561756035 /nfs/dbraw/zinc/75/60/35/561756035.db2.gz XKIPIKHAXOFXLT-XMMPIXPASA-N 0 3 574.674 5.180 3 0 KKAFHN COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654993 561757809 /nfs/dbraw/zinc/75/78/09/561757809.db2.gz NDPZVFGDWNTQOK-SVBPBHIXSA-N 0 3 618.771 6.245 1 0 KKAFHN COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC ZINC000022924671 561759583 /nfs/dbraw/zinc/75/95/83/561759583.db2.gz RRGIAVYUCTYDDX-UHFFFAOYSA-N 0 3 511.666 6.089 1 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCN1CCN(C)CC1 ZINC000022925849 561759743 /nfs/dbraw/zinc/75/97/43/561759743.db2.gz LDNWUKVFPZRPRN-UHFFFAOYSA-N 0 3 537.752 6.877 1 0 KKAFHN COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1C(F)(F)F)N1CCN(C2CCCCC2)CC1 ZINC000022940857 561761035 /nfs/dbraw/zinc/76/10/35/561761035.db2.gz AKHKAZRGQQPVBT-RUZDIDTESA-N 0 3 503.609 5.064 1 0 KKAFHN O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000023254580 561761481 /nfs/dbraw/zinc/76/14/81/561761481.db2.gz WNKRABSIBSPIHJ-HHHXNRCGSA-N 0 3 560.532 6.187 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Cc4ccccc4)nc3n2)CC1 ZINC000023357787 561761769 /nfs/dbraw/zinc/76/17/69/561761769.db2.gz VVOJUAZROSTQRF-UHFFFAOYSA-N 0 3 564.521 5.229 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)cc(=O)nc1SCc1ccc(F)cc1 ZINC000026006651 561765602 /nfs/dbraw/zinc/76/56/02/561765602.db2.gz PZUQQORPORVJNV-UHFFFAOYSA-N 0 3 640.747 7.040 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCO)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008731 561765794 /nfs/dbraw/zinc/76/57/94/561765794.db2.gz XGBQLPVZQWPTIB-UHFFFAOYSA-N 0 3 670.773 6.266 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(OC)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007832 561765804 /nfs/dbraw/zinc/76/58/04/561765804.db2.gz FWIRCFLPCQRZAE-UHFFFAOYSA-N 0 3 656.746 6.740 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1ccc(=O)nc1SCc1ccc(F)cc1 ZINC000026014284 561766162 /nfs/dbraw/zinc/76/61/62/561766162.db2.gz HOHKLBBSZBYNQP-UHFFFAOYSA-N 0 3 593.168 6.366 1 0 KKAFHN COc1ccc(OC[C@@H](O)CN2CCC(N(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026162926 561768688 /nfs/dbraw/zinc/76/86/88/561768688.db2.gz LRGXNDRYQBWFPC-VWLOTQADSA-N 0 3 513.009 5.039 1 0 KKAFHN C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026165993 561769249 /nfs/dbraw/zinc/76/92/49/561769249.db2.gz YVJCKFKMZVODMS-HYBUGGRVSA-N 0 3 512.597 6.099 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166948 561769341 /nfs/dbraw/zinc/76/93/41/561769341.db2.gz RSPWHGICVNMFPG-XUZZJYLKSA-N 0 3 504.652 5.097 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000026247227 561773451 /nfs/dbraw/zinc/77/34/51/561773451.db2.gz RKIAGHOGEJSAGM-LJAQVGFWSA-N 0 3 608.646 5.015 1 0 KKAFHN COc1ccc([C@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)SCc2ccccc2)cc1OC ZINC000026189999 561773455 /nfs/dbraw/zinc/77/34/55/561773455.db2.gz GXEBXJCYTURXIM-YTTGMZPUSA-N 0 3 535.750 7.314 1 0 KKAFHN COc1ccc([C@@H](CCCCCCN2CCc3cc(OC)c(OC)c(OC)c3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271223 561777361 /nfs/dbraw/zinc/77/73/61/561777361.db2.gz KLIWAWKHWKQIAF-JGCGQSQUSA-N 0 3 579.803 7.880 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000026273504 561777618 /nfs/dbraw/zinc/77/76/18/561777618.db2.gz MAWFLIXGSFCFQL-PMERELPUSA-N 0 3 559.694 8.363 1 0 KKAFHN COc1ccc([C@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC ZINC000026274519 561777874 /nfs/dbraw/zinc/77/78/74/561777874.db2.gz GINSMERMFDOMOV-NDEPHWFRSA-N 0 3 501.733 6.913 1 0 KKAFHN CN(C[C@@H](CCN1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026287221 561779913 /nfs/dbraw/zinc/77/99/13/561779913.db2.gz VDGIWFABCWUAFZ-DNQXCXABSA-N 0 3 551.518 6.219 1 0 KKAFHN CN(C[C@@H](CCN1CC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026288512 561780196 /nfs/dbraw/zinc/78/01/96/561780196.db2.gz FPXIRXAXVYUYRD-DHIUTWEWSA-N 0 3 537.491 5.829 1 0 KKAFHN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CCC(F)(F)F)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466838 561789834 /nfs/dbraw/zinc/78/98/34/561789834.db2.gz YBVNHKQEBNISKG-CYFREDJKSA-N 0 3 585.637 6.197 1 0 KKAFHN CC(C)CCN(c1ccc(NCc2cnc[nH]2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794093 /nfs/dbraw/zinc/79/40/93/561794093.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 0 3 579.834 5.866 1 0 KKAFHN CCCCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496732 561794495 /nfs/dbraw/zinc/79/44/95/561794495.db2.gz RCPDEZFBKMZZMJ-HHHXNRCGSA-N 0 3 543.774 5.594 1 0 KKAFHN CCCN(C(=O)c1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026501818 561795639 /nfs/dbraw/zinc/79/56/39/561795639.db2.gz QQAHRLRNHDSDDK-LJAQVGFWSA-N 0 3 547.765 5.498 1 0 KKAFHN Brc1cc(Cc2c3ccccc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1OCCN1CCCC1 ZINC000026505996 561796558 /nfs/dbraw/zinc/79/65/58/561796558.db2.gz YILHZESDKGFLKJ-UHFFFAOYSA-N 0 3 605.642 7.871 1 0 KKAFHN CCCN(C(=O)OCc1ccccc1C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026508424 561796943 /nfs/dbraw/zinc/79/69/43/561796943.db2.gz PXJAMMLQVVLTIL-SSEXGKCCSA-N 0 3 591.818 6.303 1 0 KKAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000026577861 561802477 /nfs/dbraw/zinc/80/24/77/561802477.db2.gz PPYHLAOWZGOBEU-UHFFFAOYSA-N 0 3 604.526 5.349 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000026578684 561803678 /nfs/dbraw/zinc/80/36/78/561803678.db2.gz GOTHHOLKGACPTF-IJENORETSA-N 0 3 570.586 6.786 1 0 KKAFHN NCC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000026580123 561805491 /nfs/dbraw/zinc/80/54/91/561805491.db2.gz UGLKTTMREWKECX-HHHXNRCGSA-N 0 3 652.859 5.317 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026580205 561805608 /nfs/dbraw/zinc/80/56/08/561805608.db2.gz DKYFMNJPZUVNFV-KSPMJJNASA-N 0 3 555.571 6.394 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000026641207 561806582 /nfs/dbraw/zinc/80/65/82/561806582.db2.gz ZHANHEXWYCKKNE-GPJMPKJXSA-N 0 3 557.181 5.289 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc43)C[C@@H]2c2ccccc2)CC1 ZINC000026659476 561810066 /nfs/dbraw/zinc/81/00/66/561810066.db2.gz NRTDAVJLOWCOMF-MFACQUFMSA-N 0 3 575.753 6.819 1 0 KKAFHN CN(C)C(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026667245 561811429 /nfs/dbraw/zinc/81/14/29/561811429.db2.gz KQIVABWZJYITON-FJBVROLSSA-N 0 3 678.726 7.711 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc2ccccc21 ZINC000026668993 561811949 /nfs/dbraw/zinc/81/19/49/561811949.db2.gz BNRSRJKHXKYDQR-AQSZECPKSA-N 0 3 675.644 9.028 1 0 KKAFHN O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCN(CC[C@]2(c3ccc4c(c3)OCO4)CCN(C(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000026670660 561812259 /nfs/dbraw/zinc/81/22/59/561812259.db2.gz QPFYLKDZMPQIPZ-FAIXQHPJSA-N 0 3 727.664 8.028 1 0 KKAFHN O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCN(CC[C@@]2(c3ccc4c(c3)OCO4)CCN(C(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000026670654 561812267 /nfs/dbraw/zinc/81/22/67/561812267.db2.gz QPFYLKDZMPQIPZ-RRHRGVEJSA-N 0 3 727.664 8.028 1 0 KKAFHN COc1ccc([C@@]2(CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000026672392 561812720 /nfs/dbraw/zinc/81/27/20/561812720.db2.gz XMRHEUULHFVWJE-QNGWXLTQSA-N 0 3 656.780 5.375 1 0 KKAFHN COc1ccc([C@]2(CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000026672397 561812726 /nfs/dbraw/zinc/81/27/26/561812726.db2.gz XMRHEUULHFVWJE-DIPNUNPCSA-N 0 3 656.780 5.375 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4CCOCc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026673619 561813259 /nfs/dbraw/zinc/81/32/59/561813259.db2.gz CGNVNXXLENQGRB-WBCKFURZSA-N 0 3 720.867 6.641 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026728239 561816316 /nfs/dbraw/zinc/81/63/16/561816316.db2.gz JEUCGGOZAIJNFG-BESSAKRQSA-N 0 3 506.602 5.365 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5OCc5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026729840 561816649 /nfs/dbraw/zinc/81/66/49/561816649.db2.gz RXOYYGMYKUAUNP-PFFZYSGCSA-N 0 3 520.629 5.152 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)[C@H](c2cccc(-c3cccnc3)c2)C1C(=O)OCC ZINC000026744362 561818519 /nfs/dbraw/zinc/81/85/19/561818519.db2.gz DFYRHGJYRCVNFA-UTDZTPKCSA-N 0 3 525.649 6.062 1 0 KKAFHN O=C(NCCN1CCCCC1)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840429 561825526 /nfs/dbraw/zinc/82/55/26/561825526.db2.gz ALTXCOPWMUDTBZ-BHVANESWSA-N 0 3 594.731 5.980 1 0 KKAFHN CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000026848193 561826942 /nfs/dbraw/zinc/82/69/42/561826942.db2.gz PTIYKSDBVLRZAO-LJAQVGFWSA-N 0 3 657.668 5.305 1 0 KKAFHN CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026970058 561830274 /nfs/dbraw/zinc/83/02/74/561830274.db2.gz LURXIMFKURDUPV-NPJIAGGLSA-N 0 3 575.653 6.804 1 0 KKAFHN CCOC(=O)N1C(=S)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000026985984 561831863 /nfs/dbraw/zinc/83/18/63/561831863.db2.gz FVYCHGZRYVAZJF-HOGKFDNTSA-N 0 3 535.588 5.883 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)cc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000027100052 561838482 /nfs/dbraw/zinc/83/84/82/561838482.db2.gz FVEWABDTCRXLJS-OGICNVKRSA-N 0 3 528.652 5.820 1 0 KKAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027102736 561839260 /nfs/dbraw/zinc/83/92/60/561839260.db2.gz URBMBIPANSKQOM-LJAQVGFWSA-N 0 3 665.279 5.030 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105860 561840206 /nfs/dbraw/zinc/84/02/06/561840206.db2.gz WUFGLRYZWOUQQM-SSEXGKCCSA-N 0 3 679.306 5.419 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108521 561840871 /nfs/dbraw/zinc/84/08/71/561840871.db2.gz HVQORTSVHNWKTB-PMERELPUSA-N 0 3 679.306 5.419 1 0 KKAFHN O=C1[C@H](Cc2ccc(OCc3ccccc3)cc2)N(CCCCc2ccccc2)C(=O)N1CCN1CCCC1 ZINC000027192431 561843698 /nfs/dbraw/zinc/84/36/98/561843698.db2.gz NULUCCRMAJXPSS-HKBQPEDESA-N 0 3 525.693 5.560 1 0 KKAFHN CN(C)CCNC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc32)c(Cl)c1 ZINC000027311382 561850765 /nfs/dbraw/zinc/85/07/65/561850765.db2.gz CHEJPNFCEJXWOS-UHFFFAOYSA-N 0 3 534.444 5.331 1 0 KKAFHN O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000027439019 561860608 /nfs/dbraw/zinc/86/06/08/561860608.db2.gz KVDRGPNXKCVXGD-GDLZYMKVSA-N 0 3 591.640 7.228 1 0 KKAFHN O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2c1OCO2)N1CCN(C2CCCCC2)CC1 ZINC000027518335 561862179 /nfs/dbraw/zinc/86/21/79/561862179.db2.gz NRUOJZQFHLBZAO-DEOSSOPVSA-N 0 3 585.589 5.803 1 0 KKAFHN Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)[N-]c4nncs4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027520655 561863661 /nfs/dbraw/zinc/86/36/61/561863661.db2.gz QLYDPADLSBXEQL-SFHVURJKSA-N 0 3 538.073 5.480 1 0 KKAFHN CCOC(=O)[C@H](NCc1ccc(CNCc2ccccc2)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027550870 561867882 /nfs/dbraw/zinc/86/78/82/561867882.db2.gz URGUBSHCHJNHPR-CDBYGCFJSA-N 0 3 694.873 5.037 1 0 KKAFHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027635644 561874391 /nfs/dbraw/zinc/87/43/91/561874391.db2.gz KWYPWVKRUAHLRV-HKBQPEDESA-N 0 3 593.216 5.607 1 0 KKAFHN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3ccc(F)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027881389 561889192 /nfs/dbraw/zinc/88/91/92/561889192.db2.gz IOWNITOQAKITTC-PMERELPUSA-N 0 3 508.609 5.401 1 0 KKAFHN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027884668 561889372 /nfs/dbraw/zinc/88/93/72/561889372.db2.gz FPYIMCLXYPKJRQ-PMERELPUSA-N 0 3 558.616 6.280 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027995466 561893716 /nfs/dbraw/zinc/89/37/16/561893716.db2.gz OITPJOQDTNGJJF-YTTGMZPUSA-N 0 3 615.554 5.718 1 0 KKAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997206 561894020 /nfs/dbraw/zinc/89/40/20/561894020.db2.gz NTMVVGPIFKNDSZ-CFSNMGLFSA-N 0 3 659.632 5.988 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028003687 561895227 /nfs/dbraw/zinc/89/52/27/561895227.db2.gz XVFLNEOASJKKFX-JGCGQSQUSA-N 0 3 544.717 6.607 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(NC(=O)c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028004592 561895313 /nfs/dbraw/zinc/89/53/13/561895313.db2.gz YUGVJYLWMVLFQO-XIFFEERXSA-N 0 3 642.580 5.629 1 0 KKAFHN N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012957 561896720 /nfs/dbraw/zinc/89/67/20/561896720.db2.gz NRXLSVZBUARMKR-LSHZFYPFSA-N 0 3 599.697 7.048 1 0 KKAFHN CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014184 561896976 /nfs/dbraw/zinc/89/69/76/561896976.db2.gz CAJQJFGPPJJDPS-GABYNLOESA-N 0 3 582.833 6.617 1 0 KKAFHN CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014184 561896977 /nfs/dbraw/zinc/89/69/77/561896977.db2.gz CAJQJFGPPJJDPS-GABYNLOESA-N 0 3 582.833 6.617 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028086831 561899196 /nfs/dbraw/zinc/89/91/96/561899196.db2.gz VNMYGCFDQRWNPO-YTTGMZPUSA-N 0 3 562.707 6.746 1 0 KKAFHN O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028115003 561903679 /nfs/dbraw/zinc/90/36/79/561903679.db2.gz OYBDEFVUQBRAKV-XMMPIXPASA-N 0 3 543.461 6.825 1 0 KKAFHN CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128400 561905240 /nfs/dbraw/zinc/90/52/40/561905240.db2.gz JTXBXFTVOCSXTB-IOWSJCHKSA-N 0 3 574.169 6.304 1 0 KKAFHN CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136790 561906808 /nfs/dbraw/zinc/90/68/08/561906808.db2.gz PVIPSFPLLZFEEP-FQLXRVMXSA-N 0 3 593.143 6.177 1 0 KKAFHN CCOc1cc(OCCN(CC)CC)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCC)c2=O ZINC000028219197 561907191 /nfs/dbraw/zinc/90/71/91/561907191.db2.gz KOUNKPIJLHXAGQ-UHFFFAOYSA-N 0 3 513.631 5.775 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028242802 561910643 /nfs/dbraw/zinc/91/06/43/561910643.db2.gz PDVLWVXVOZYFHT-JXMROGBWSA-N 0 3 548.514 6.613 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S@](=O)C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028244706 561910754 /nfs/dbraw/zinc/91/07/54/561910754.db2.gz KLMLMBZALYAYAZ-RLPPDSJBSA-N 0 3 595.687 5.934 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028247956 561910869 /nfs/dbraw/zinc/91/08/69/561910869.db2.gz RTRGKSOJTPAMER-NTEUORMPSA-N 0 3 514.069 5.960 1 0 KKAFHN CC(=O)N[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028330473 561912710 /nfs/dbraw/zinc/91/27/10/561912710.db2.gz RGNTWXUHBNURAO-SKCUWOTOSA-N 0 3 539.507 5.216 1 0 KKAFHN Cc1ccccc1Nc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cs1 ZINC000028363639 561917189 /nfs/dbraw/zinc/91/71/89/561917189.db2.gz FICWIPSXCWFMPN-DEOSSOPVSA-N 0 3 559.642 5.520 1 0 KKAFHN O[C@H](CNc1ccc(Cl)c(Cl)c1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028364287 561917315 /nfs/dbraw/zinc/91/73/15/561917315.db2.gz YXZQRYUXEJHIIZ-AREMUKBSSA-N 0 3 548.505 6.274 1 0 KKAFHN C[C@H]1CCC[N@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028383258 561920583 /nfs/dbraw/zinc/92/05/83/561920583.db2.gz JAYXLGPKVKAOEV-INIZCTEOSA-N 0 3 553.046 6.746 1 0 KKAFHN C[C@H]1CCC[N@@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028383258 561920584 /nfs/dbraw/zinc/92/05/84/561920584.db2.gz JAYXLGPKVKAOEV-INIZCTEOSA-N 0 3 553.046 6.746 1 0 KKAFHN CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1c[nH]c2ccccc21 ZINC000028390807 561922285 /nfs/dbraw/zinc/92/22/85/561922285.db2.gz IHFBRYYYBVDFPB-HKBQPEDESA-N 0 3 539.724 6.137 1 0 KKAFHN CC(C)(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523121 561929825 /nfs/dbraw/zinc/92/98/25/561929825.db2.gz MBGWRHXILCGPCT-MUUNZHRXSA-N 0 3 529.691 6.353 1 0 KKAFHN CC(C)(C)c1ccc([C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523122 561929882 /nfs/dbraw/zinc/92/98/82/561929882.db2.gz MBGWRHXILCGPCT-NDEPHWFRSA-N 0 3 529.691 6.353 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ncccc4c3)cs2)cc1 ZINC000028523293 561929998 /nfs/dbraw/zinc/92/99/98/561929998.db2.gz OWXSDNDBFWRRJR-UMSFTDKQSA-N 0 3 620.800 6.616 1 0 KKAFHN CN(C)c1ccc(NC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523419 561930129 /nfs/dbraw/zinc/93/01/29/561930129.db2.gz HEEKPFDTRBATOX-LJAQVGFWSA-N 0 3 505.751 5.863 1 0 KKAFHN COc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028523630 561930281 /nfs/dbraw/zinc/93/02/81/561930281.db2.gz PJECWHFRADOJNA-DEOSSOPVSA-N 0 3 504.597 5.527 1 0 KKAFHN CC(C)(C)c1ccc(-c2csc(Cc3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 ZINC000028525322 561931169 /nfs/dbraw/zinc/93/11/69/561931169.db2.gz XHUPGYIZWYDWDS-UMSFTDKQSA-N 0 3 625.860 7.365 1 0 KKAFHN Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028570524 561938887 /nfs/dbraw/zinc/93/88/87/561938887.db2.gz LKYBAOASTZHANA-UHFFFAOYSA-N 0 3 564.608 6.536 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646301 561945164 /nfs/dbraw/zinc/94/51/64/561945164.db2.gz CZGZZLUJVRZYFA-MGBGTMOVSA-N 0 3 514.733 5.420 1 0 KKAFHN NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCCC(c1ccccc1)c1ccccc1 ZINC000028640994 561943041 /nfs/dbraw/zinc/94/30/41/561943041.db2.gz RBFFTSAHMSYLAK-UHFFFAOYSA-N 0 3 519.689 5.334 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646115 561944802 /nfs/dbraw/zinc/94/48/02/561944802.db2.gz ZPBDIJQSZTYFIY-XIFFEERXSA-N 0 3 516.749 5.688 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028646243 561944962 /nfs/dbraw/zinc/94/49/62/561944962.db2.gz FBNHMHGIMMCLHO-DIPNUNPCSA-N 0 3 546.803 6.436 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028646231 561944981 /nfs/dbraw/zinc/94/49/81/561944981.db2.gz IHHDHTXBALMXOF-WJOKGBTCSA-N 0 3 538.702 5.788 1 0 KKAFHN CN(C)Cc1ncc(C2=CC[C@@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650303 561945911 /nfs/dbraw/zinc/94/59/11/561945911.db2.gz BIFFIEOCGJSJAA-HXUWFJFHSA-N 0 3 506.091 5.563 1 0 KKAFHN CC(=O)Nc1nc([C@@H](CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702721 561947166 /nfs/dbraw/zinc/94/71/66/561947166.db2.gz XYDYESRSSYTWAT-HSZRJFAPSA-N 0 3 652.665 6.616 1 0 KKAFHN O=CNc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702784 561947298 /nfs/dbraw/zinc/94/72/98/561947298.db2.gz QJPYGDWBEWYTTR-QHCPKHFHSA-N 0 3 598.613 6.419 1 0 KKAFHN CN(C)C(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702815 561947304 /nfs/dbraw/zinc/94/73/04/561947304.db2.gz ZLTZAEOIQWFTMQ-DEOSSOPVSA-N 0 3 641.682 6.944 1 0 KKAFHN CC(=O)Nc1nc([C@H](CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702894 561947498 /nfs/dbraw/zinc/94/74/98/561947498.db2.gz GRXIJUNCNWKVJI-SFHVURJKSA-N 0 3 536.542 5.415 1 0 KKAFHN O=C(OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028704241 561948528 /nfs/dbraw/zinc/94/85/28/561948528.db2.gz TZFFDBICDWTCQG-AREMUKBSSA-N 0 3 560.160 5.717 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)cc(C(=O)N(CCC)CCC)c1 ZINC000028705229 561949010 /nfs/dbraw/zinc/94/90/10/561949010.db2.gz DFSVSCRNLHQSLH-MPQUPPDSSA-N 0 3 658.884 5.711 1 0 KKAFHN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CCN(C)C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000028707768 561950217 /nfs/dbraw/zinc/95/02/17/561950217.db2.gz BCDDBRZQYJWIKG-HSZRJFAPSA-N 0 3 534.635 5.957 1 0 KKAFHN CC(C)[C@H](N)C(=O)Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711867 561952449 /nfs/dbraw/zinc/95/24/49/561952449.db2.gz RGCRRRXBLPVENP-LJAQVGFWSA-N 0 3 523.681 6.667 1 0 KKAFHN COc1ccc(-n2nc(C(=O)NCCC3CCN(c4ccncc4)CC3)c(Br)c2NC(=O)c2ccccc2Cl)cc1 ZINC000028712001 561952631 /nfs/dbraw/zinc/95/26/31/561952631.db2.gz QEIYOSQKAZWSJL-UHFFFAOYSA-N 0 3 637.966 5.981 1 0 KKAFHN Cc1cc(-c2ccc3c(c2)CCN(CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712503 561953054 /nfs/dbraw/zinc/95/30/54/561953054.db2.gz RWYXCRGPSKEBSD-UHFFFAOYSA-N 0 3 523.710 5.241 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCCN1CCCCC1 ZINC000028713454 561953959 /nfs/dbraw/zinc/95/39/59/561953959.db2.gz ZVAVUJMYZHTFDE-SUOHFUSSSA-N 0 3 731.816 5.559 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000028714020 561954468 /nfs/dbraw/zinc/95/44/68/561954468.db2.gz JKTVQQVIVFPXST-UHFFFAOYSA-N 0 3 570.137 5.359 1 0 KKAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817321 561964645 /nfs/dbraw/zinc/96/46/45/561964645.db2.gz UVZYTLSBNQCQLB-BMPTZRATSA-N 0 3 701.877 5.384 1 0 KKAFHN COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 ZINC000028818837 561965359 /nfs/dbraw/zinc/96/53/59/561965359.db2.gz NWNCQMHNUOUGGE-UHFFFAOYSA-N 0 3 502.442 5.765 1 0 KKAFHN CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823889 561968577 /nfs/dbraw/zinc/96/85/77/561968577.db2.gz HSIYJWUPHNPTOY-LOSJGSFVSA-N 0 3 549.518 5.061 1 0 KKAFHN CN1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825261 561970676 /nfs/dbraw/zinc/97/06/76/561970676.db2.gz IKPLBSRJBQJSKZ-UHFFFAOYSA-N 0 3 521.061 6.010 1 0 KKAFHN COc1cc(CN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c(OC)c2ccccc12 ZINC000028827104 561971535 /nfs/dbraw/zinc/97/15/35/561971535.db2.gz BCHRCFZHJDSRAB-UHFFFAOYSA-N 0 3 524.640 6.471 1 0 KKAFHN O=C(NCCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc2ccccc2c1 ZINC000028869934 561973988 /nfs/dbraw/zinc/97/39/88/561973988.db2.gz ZDDZCFWJYDZNBA-UHFFFAOYSA-N 0 3 536.119 7.095 1 0 KKAFHN O=C(OC[C@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028879103 561976221 /nfs/dbraw/zinc/97/62/21/561976221.db2.gz ZIKGOADCTDQKTA-IXCJQBJRSA-N 0 3 596.140 5.990 1 0 KKAFHN CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCNC[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889654 561978040 /nfs/dbraw/zinc/97/80/40/561978040.db2.gz FXNLHVHHXHWVOF-RXFWQSSRSA-N 0 3 535.063 5.575 1 0 KKAFHN O=C(c1cc2c3ccccc3n(C[C@@H]3CCNC[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCc2[nH]cnc2C1 ZINC000028889707 561978205 /nfs/dbraw/zinc/97/82/05/561978205.db2.gz SSTGGHOOVOEJRC-DFBJGRDBSA-N 0 3 558.057 6.109 1 0 KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CCN(CC(C)C)CC3)n2)s1 ZINC000028961203 561984126 /nfs/dbraw/zinc/98/41/26/561984126.db2.gz UQLRUFPUFOVIIF-UHFFFAOYSA-N 0 3 570.641 6.301 1 0 KKAFHN CN(C)CCN(c1ccccc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964296 561984797 /nfs/dbraw/zinc/98/47/97/561984797.db2.gz MQMJNTNJZXDLIT-UHFFFAOYSA-N 0 3 567.600 5.493 1 0 KKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3cccnc3Cl)sc2c1 ZINC000028967678 561985324 /nfs/dbraw/zinc/98/53/24/561985324.db2.gz QTQVZWAPILPILI-UHFFFAOYSA-N 0 3 516.026 5.270 1 0 KKAFHN Nc1ccccc1NC(=O)c1cc2ccc([C@H](NCCc3ccncc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976363 561986843 /nfs/dbraw/zinc/98/68/43/561986843.db2.gz PBWSJHXWVMJUOO-LJAQVGFWSA-N 0 3 535.673 5.321 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cnccn4)c3=O)CC2)C(C)C)c1 ZINC000029064063 561996315 /nfs/dbraw/zinc/99/63/15/561996315.db2.gz IVZMHEWNZZMPTO-LJAQVGFWSA-N 0 3 529.685 5.089 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cccs4)c3=O)CC2)C(C)C)c1 ZINC000029064383 561996327 /nfs/dbraw/zinc/99/63/27/561996327.db2.gz ACRZXWBNBSPSQH-GDLZYMKVSA-N 0 3 533.738 6.360 1 0 KKAFHN Nc1nnc(-c2cnc(-c3ccc(CN4CCC(n5cc(-c6cnccn6)cn5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125343 561997434 /nfs/dbraw/zinc/99/74/34/561997434.db2.gz JEBHQRKVJAFLBR-UHFFFAOYSA-N 0 3 571.714 6.007 1 0 KKAFHN NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125483 561997616 /nfs/dbraw/zinc/99/76/16/561997616.db2.gz QWEIHYUHUYTIJY-UHFFFAOYSA-N 0 3 516.812 5.072 1 0 KKAFHN Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3ncc(-c4ncon4)cc3-c3ccccc3)cc2)CC1 ZINC000029125527 561997680 /nfs/dbraw/zinc/99/76/80/561997680.db2.gz SKBAKRCESRVMPS-UHFFFAOYSA-N 0 3 529.608 5.025 1 0 KKAFHN Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3ncc(-c4nccs4)cc3-c3ccccc3)cc2)CC1 ZINC000029125570 561997794 /nfs/dbraw/zinc/99/77/94/561997794.db2.gz UNXZSCKLZOHNNN-UHFFFAOYSA-N 0 3 544.688 6.098 1 0 KKAFHN CN(C)c1ccc([C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029126867 561999126 /nfs/dbraw/zinc/99/91/26/561999126.db2.gz OXZWFXSQRGRPHT-BJPYECMBSA-N 0 3 518.661 5.089 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126960 561999246 /nfs/dbraw/zinc/99/92/46/561999246.db2.gz RCVHDPWYXTVRFR-POZRDHEVSA-N 0 3 554.488 5.786 1 0 KKAFHN CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@@H]2CCCN2C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029129944 562002149 /nfs/dbraw/zinc/00/21/49/562002149.db2.gz DHCDUDRKAXLPJS-KCWPFWIISA-N 0 3 608.680 7.322 1 0 KKAFHN CCOC(=O)C1=C(COCCN(C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029405647 562020602 /nfs/dbraw/zinc/02/06/02/562020602.db2.gz ZZNMZUHUNNQAKO-HGKLSIKASA-N 0 3 513.034 5.280 1 0 KKAFHN CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCc3ccccc3)cc2)C1=O ZINC000029408098 562021073 /nfs/dbraw/zinc/02/10/73/562021073.db2.gz TYUBDZBJEJPQFY-WJOKGBTCSA-N 0 3 589.740 5.055 1 0 KKAFHN COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCC4CCCC4)n3c2=O)c1 ZINC000029478202 562026757 /nfs/dbraw/zinc/02/67/57/562026757.db2.gz ULAJWNHHPQVBMX-UHFFFAOYSA-N 0 3 530.688 6.245 1 0 KKAFHN O=C1NCN(c2ccc(Cl)cc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029488689 562028958 /nfs/dbraw/zinc/02/89/58/562028958.db2.gz GUYQNPWJAWKVHB-UHFFFAOYSA-N 0 3 511.016 5.575 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)c(Cl)c4)nc3n2)CC1 ZINC000029553899 562031710 /nfs/dbraw/zinc/03/17/10/562031710.db2.gz NGLCMTJPGDJNOW-UHFFFAOYSA-N 0 3 634.399 6.999 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@]2(C)Sc3ccccc3N(C)C2=O)c1 ZINC000029556403 562032233 /nfs/dbraw/zinc/03/22/33/562032233.db2.gz MMLGLMNYHUOLBO-PMERELPUSA-N 0 3 550.677 5.188 1 0 KKAFHN CCCCNC(=O)Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029562631 562033520 /nfs/dbraw/zinc/03/35/20/562033520.db2.gz UTRDIHDNZUULJM-UHFFFAOYSA-N 0 3 543.687 6.231 1 0 KKAFHN COc1cc(NCCCCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccc(C)c2c1 ZINC000029566273 562034480 /nfs/dbraw/zinc/03/44/80/562034480.db2.gz IJQXIYANWHOYEK-UUWRZZSWSA-N 0 3 557.182 7.585 1 0 KKAFHN Fc1ccc(C(c2ccc(F)cc2)n2c3ccccc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029568272 562034894 /nfs/dbraw/zinc/03/48/94/562034894.db2.gz XECCKBJGPOXPGM-UHFFFAOYSA-N 0 3 522.643 7.071 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817891 562037530 /nfs/dbraw/zinc/03/75/30/562037530.db2.gz ULFPSOIGAFYNHK-DKRHUIDYSA-N 0 3 504.650 5.012 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817891 562037532 /nfs/dbraw/zinc/03/75/32/562037532.db2.gz ULFPSOIGAFYNHK-DKRHUIDYSA-N 0 3 504.650 5.012 1 0 KKAFHN CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C ZINC000033974761 562037935 /nfs/dbraw/zinc/03/79/35/562037935.db2.gz VSVORQIMRUVRPE-MMPYLIGOSA-N 0 3 526.743 6.159 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000034314930 562038670 /nfs/dbraw/zinc/03/86/70/562038670.db2.gz ZTBGLXWPXRXVOK-NRSKXHDUSA-N 0 3 515.698 5.002 1 0 KKAFHN C[C@@H]1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804121 562042929 /nfs/dbraw/zinc/04/29/29/562042929.db2.gz UIHDKMQRDLGFQA-VGSWGCGISA-N 0 3 501.515 5.546 1 0 KKAFHN CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000034804179 562042956 /nfs/dbraw/zinc/04/29/56/562042956.db2.gz LMXHEPMINMFJIS-QFIPXVFZSA-N 0 3 501.515 5.403 1 0 KKAFHN Cc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000035262590 562044953 /nfs/dbraw/zinc/04/49/53/562044953.db2.gz WLIORDNTJDEFAZ-MUUNZHRXSA-N 0 3 520.681 5.039 1 0 KKAFHN O=c1nc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000036126651 562047602 /nfs/dbraw/zinc/04/76/02/562047602.db2.gz PHCHRPWAMGPRTQ-UHFFFAOYSA-N 0 3 500.952 5.842 1 0 KKAFHN CC(C)CC(CC(C)C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036285040 562053818 /nfs/dbraw/zinc/05/38/18/562053818.db2.gz YZKIIYBZAZLMCC-BHBYDHKZSA-N 0 3 553.191 5.399 1 0 KKAFHN CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285416 562054090 /nfs/dbraw/zinc/05/40/90/562054090.db2.gz JKCHNCUBXBYAJL-QHCPKHFHSA-N 0 3 573.487 5.456 1 0 KKAFHN CC[C@H](C)[C@H](NCc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285488 562054279 /nfs/dbraw/zinc/05/42/79/562054279.db2.gz BRQIREOLULHPMR-UGDMGKLASA-N 0 3 606.560 8.171 1 0 KKAFHN COc1ccc(OC)c(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285552 562054281 /nfs/dbraw/zinc/05/42/81/562054281.db2.gz SJXJCPIMFNOZGO-QHCPKHFHSA-N 0 3 507.597 5.050 1 0 KKAFHN CC[C@@H](C)[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285645 562054338 /nfs/dbraw/zinc/05/43/38/562054338.db2.gz PRWVJUJCHUHVLU-QUGAMOGWSA-N 0 3 573.487 5.456 1 0 KKAFHN COc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1F ZINC000036285789 562054527 /nfs/dbraw/zinc/05/45/27/562054527.db2.gz DBWFLNVXJGCWNG-JPYJTQIMSA-N 0 3 509.588 5.426 1 0 KKAFHN Cc1cccc(NC(=O)N2CCc3cc(-c4n[nH]c5c4Cc4cc(CN6CCN(C)CC6)ccc4-5)sc3C2)c1 ZINC000036338829 562057217 /nfs/dbraw/zinc/05/72/17/562057217.db2.gz DINUMFKXHNIHAW-UHFFFAOYSA-N 0 3 538.721 5.355 1 0 KKAFHN Cc1cccc(NC(=O)N2CCc3cc(-c4[nH]nc5c4Cc4cc(CN6CCN(C)CC6)ccc4-5)sc3C2)c1 ZINC000036338829 562057219 /nfs/dbraw/zinc/05/72/19/562057219.db2.gz DINUMFKXHNIHAW-UHFFFAOYSA-N 0 3 538.721 5.355 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Br)cc1 ZINC000036338852 562057248 /nfs/dbraw/zinc/05/72/48/562057248.db2.gz VJRMARZDCXLFER-UHFFFAOYSA-N 0 3 591.579 5.883 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Br)cc1 ZINC000036338852 562057250 /nfs/dbraw/zinc/05/72/50/562057250.db2.gz VJRMARZDCXLFER-UHFFFAOYSA-N 0 3 591.579 5.883 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1 ZINC000036349194 562057857 /nfs/dbraw/zinc/05/78/57/562057857.db2.gz KZEQFCJODZNZJF-GDLZYMKVSA-N 0 3 563.681 5.351 1 0 KKAFHN CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000036520207 562061131 /nfs/dbraw/zinc/06/11/31/562061131.db2.gz SVHKZTWQMXJLAD-UHFFFAOYSA-N 0 3 504.849 5.205 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000038139356 562062639 /nfs/dbraw/zinc/06/26/39/562062639.db2.gz JEKDOWMTUCHNIR-XZWHSSHBSA-N 0 3 608.735 6.859 3 0 aggregator,in-vitro KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000038147276 562065495 /nfs/dbraw/zinc/06/54/95/562065495.db2.gz JEKDOWMTUCHNIR-LOYHVIPDSA-N 0 3 608.735 6.859 1 0 aggregator KKAFHN CC(C)CCN1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150644 562066452 /nfs/dbraw/zinc/06/64/52/562066452.db2.gz GBYYUEIXEOYDDW-RRPNLBNLSA-N 0 3 522.686 5.175 1 0 KKAFHN O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC000040406923 562075096 /nfs/dbraw/zinc/07/50/96/562075096.db2.gz KNFCUBWPKYSSNK-UHFFFAOYSA-N 0 3 507.940 5.189 1 0 in-vivo KKAFHN NC(=O)c1ccc(C2(C(N)=O)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000040877728 562082304 /nfs/dbraw/zinc/08/23/04/562082304.db2.gz ZPKYWTWGQSMCDF-GJOKYCCCSA-N 0 3 508.449 5.232 1 0 KKAFHN CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)C)CC1 ZINC000040864157 562081159 /nfs/dbraw/zinc/08/11/59/562081159.db2.gz SVFWXPKDJMPRAO-RSXGOPAZSA-N 0 3 506.518 5.331 1 0 KKAFHN Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 ZINC000040893439 562082923 /nfs/dbraw/zinc/08/29/23/562082923.db2.gz SRVDVWZPQCJMEN-VWLOTQADSA-N 0 3 504.552 7.092 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccccc1F ZINC000042805795 562089301 /nfs/dbraw/zinc/08/93/01/562089301.db2.gz LDZBSDCWTSEVQR-UHFFFAOYSA-N 0 3 555.654 5.252 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCCC1 ZINC000040951821 562086140 /nfs/dbraw/zinc/08/61/40/562086140.db2.gz KIMKESVEZODZRF-LADGPHEKSA-N 0 3 526.690 6.012 1 0 KKAFHN CC(=O)O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040975802 562087149 /nfs/dbraw/zinc/08/71/49/562087149.db2.gz BOLNQVYXWUWJJK-PMERELPUSA-N 0 3 507.625 5.805 1 0 KKAFHN CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000042803376 562088195 /nfs/dbraw/zinc/08/81/95/562088195.db2.gz DBNJNPPSWNADBP-UHFFFAOYSA-N 0 3 637.796 5.253 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3[C@H]4O)CC[C@@H]12 ZINC000085531073 560073240 /nfs/dbraw/zinc/07/32/40/560073240.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 0 3 526.743 5.943 1 0 biogenic,in-vitro KKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000043022221 562644992 /nfs/dbraw/zinc/64/49/92/562644992.db2.gz CHRSFJCSCLETLV-SANMLTNESA-N 0 3 514.567 6.146 1 0 KKAFHN CN(C)CCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1 ZINC000043062458 562645195 /nfs/dbraw/zinc/64/51/95/562645195.db2.gz OWJWKROFVJCUFG-UHFFFAOYSA-N 0 3 604.608 6.990 1 0 KKAFHN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1 ZINC000043067512 562645389 /nfs/dbraw/zinc/64/53/89/562645389.db2.gz SFVQYLYTYFEWFD-UHFFFAOYSA-N 0 3 511.375 5.726 1 0 KKAFHN CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C)n1 ZINC000043073339 562645623 /nfs/dbraw/zinc/64/56/23/562645623.db2.gz REEBEXNBKISNAZ-GAJHUEQPSA-N 0 3 501.900 7.240 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccccc1)c1ccccn1 ZINC000043120043 562646038 /nfs/dbraw/zinc/64/60/38/562646038.db2.gz UWQWKEPZJZVFAV-SSEXGKCCSA-N 0 3 532.610 6.399 1 0 KKAFHN Cc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(N2CCCCC2)n1 ZINC000043121636 562646166 /nfs/dbraw/zinc/64/61/66/562646166.db2.gz QJXBLXXUHUHCPI-MHECFPHRSA-N 0 3 513.911 7.018 1 0 KKAFHN CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc54)c(Cl)c3)c21 ZINC000043208438 562647147 /nfs/dbraw/zinc/64/71/47/562647147.db2.gz AVHNHPHSQMBYAJ-UHFFFAOYSA-N 0 3 522.034 5.084 1 0 KKAFHN OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2OCc2ccccc2)CC1 ZINC000043409145 562648245 /nfs/dbraw/zinc/64/82/45/562648245.db2.gz XJOVMPCYKJTZJT-UHFFFAOYSA-N 0 3 543.654 6.961 1 0 KKAFHN C[C@H](c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043532260 562649301 /nfs/dbraw/zinc/64/93/01/562649301.db2.gz YTFQQHHEZZQZGZ-AREMUKBSSA-N 0 3 603.184 7.392 1 0 KKAFHN O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(C3CCCCC3)CC2)nn1)OC1CCCC1 ZINC000043543953 562649555 /nfs/dbraw/zinc/64/95/55/562649555.db2.gz IVJFLKDIRCERHH-HEVIKAOCSA-N 0 3 584.809 5.792 1 0 KKAFHN CCN(CC)C(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 ZINC000043649332 562650615 /nfs/dbraw/zinc/65/06/15/562650615.db2.gz GWNMKDSFGVSLFZ-UHFFFAOYSA-N 0 3 618.642 5.154 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CC(c1ccccc1)c1ccccc1 ZINC000044018336 562651500 /nfs/dbraw/zinc/65/15/00/562651500.db2.gz VRPQAMNHYIYBFL-MGBGTMOVSA-N 0 3 582.752 6.320 1 0 KKAFHN O=C(c1ccc2ccccc2c1)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000044032024 562651713 /nfs/dbraw/zinc/65/17/13/562651713.db2.gz VFRCDCIXWSJNJI-UHFFFAOYSA-N 0 3 570.181 6.404 1 0 KKAFHN O=C(CCc1ccccc1)O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044281233 562653025 /nfs/dbraw/zinc/65/30/25/562653025.db2.gz HMGVPHBFARTUCU-BHVANESWSA-N 0 3 597.750 7.418 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1 ZINC000044306527 562653758 /nfs/dbraw/zinc/65/37/58/562653758.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 0 3 624.778 6.762 1 0 KKAFHN COc1cc(NC(=O)c2cnc3ccccc3c2)cc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)c1 ZINC000044359846 562655522 /nfs/dbraw/zinc/65/55/22/562655522.db2.gz IDFFNTINIUWLMJ-UHFFFAOYSA-N 0 3 616.718 6.366 1 0 KKAFHN CCCCCN(CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044360422 562655619 /nfs/dbraw/zinc/65/56/19/562655619.db2.gz WHLXWLMPOJUMLS-CZNDPXEESA-N 0 3 604.707 8.015 1 0 KKAFHN CCn1nc(C(C)(C)c2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000044404475 562656430 /nfs/dbraw/zinc/65/64/30/562656430.db2.gz CLJHZAHZVGMFKS-JNYUFQCESA-N 0 3 596.860 7.157 1 0 KKAFHN CCn1nc(C(C)(C)c2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000044404475 562656431 /nfs/dbraw/zinc/65/64/31/562656431.db2.gz CLJHZAHZVGMFKS-JNYUFQCESA-N 0 3 596.860 7.157 1 0 KKAFHN O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044405278 562656655 /nfs/dbraw/zinc/65/66/55/562656655.db2.gz AWCUCKNTBFFHCS-UHFFFAOYSA-N 0 3 577.600 6.710 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2CC2CCCCC2)c1 ZINC000045167083 562657960 /nfs/dbraw/zinc/65/79/60/562657960.db2.gz UZBISDZKADNRKD-QHCPKHFHSA-N 0 3 523.621 5.281 1 0 KKAFHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045167355 562658020 /nfs/dbraw/zinc/65/80/20/562658020.db2.gz HJYLQKWOVUQBPF-UHFFFAOYSA-N 0 3 508.449 6.545 1 0 KKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045187032 562658202 /nfs/dbraw/zinc/65/82/02/562658202.db2.gz PSPKZRFMQFPGCB-UHFFFAOYSA-N 0 3 510.081 6.967 1 0 KKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000045192800 562658694 /nfs/dbraw/zinc/65/86/94/562658694.db2.gz FEOBIJHRWMNECI-UHFFFAOYSA-N 0 3 521.564 7.054 1 0 KKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)c1 ZINC000045192800 562658695 /nfs/dbraw/zinc/65/86/95/562658695.db2.gz FEOBIJHRWMNECI-UHFFFAOYSA-N 0 3 521.564 7.054 1 0 KKAFHN COc1cc(NC(=O)/C=C/c2cc(F)cc(F)c2F)cc(OCCN2CCC(O)(c3ccccc3)CC2)c1 ZINC000045195283 562658902 /nfs/dbraw/zinc/65/89/02/562658902.db2.gz DMAHFESFDFFUDG-BQYQJAHWSA-N 0 3 526.555 5.127 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000045201313 562659039 /nfs/dbraw/zinc/65/90/39/562659039.db2.gz RDLPDGDMIDFGGN-PKNBQFBNSA-N 0 3 521.464 5.672 1 0 KKAFHN COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000045201328 562659045 /nfs/dbraw/zinc/65/90/45/562659045.db2.gz FTDQXEUGZKAGCG-JLHYYAGUSA-N 0 3 531.056 6.135 1 0 KKAFHN Cc1cc(OCCN2CCCCC2)ccc1NC(=O)c1cccc2c(=O)n(Cc3ccc(Cl)cc3)cnc12 ZINC000045202316 562659160 /nfs/dbraw/zinc/65/91/60/562659160.db2.gz PDBGYRXSNWMULZ-UHFFFAOYSA-N 0 3 531.056 5.524 1 0 KKAFHN COC(=O)c1cccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000045230001 562659581 /nfs/dbraw/zinc/65/95/81/562659581.db2.gz QMRWYQTUIAOSHP-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN COC(=O)c1cccc(CNCc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)c1 ZINC000045230001 562659582 /nfs/dbraw/zinc/65/95/82/562659582.db2.gz QMRWYQTUIAOSHP-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)c1 ZINC000045229297 562659601 /nfs/dbraw/zinc/65/96/01/562659601.db2.gz RIGIOOLHUXCEJQ-UHFFFAOYSA-N 0 3 502.593 7.598 1 0 KKAFHN Cn1nccc1C(=O)NCCNCc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045317801 562660898 /nfs/dbraw/zinc/66/08/98/562660898.db2.gz IPZCFDBKNITPHO-UHFFFAOYSA-N 0 3 518.543 5.169 1 0 KKAFHN O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)NCC[NH+]1CCCCC1 ZINC000045322158 562661098 /nfs/dbraw/zinc/66/10/98/562661098.db2.gz OSVRXKWMDRITGP-UHFFFAOYSA-N 0 3 506.474 5.258 1 0 KKAFHN CC1(C)Cc2c3ccccc3[nH]c2C(CCCCCCCCC2=NC(C)(C)Cc3c4ccccc4[nH]c32)=N1 ZINC000045324866 562661193 /nfs/dbraw/zinc/66/11/93/562661193.db2.gz ADZOVURIRJCTJE-UHFFFAOYSA-N 0 3 506.738 8.718 1 0 KKAFHN CN1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(C(F)(F)F)c3)ccc2Cl)CC1 ZINC000045336236 562661371 /nfs/dbraw/zinc/66/13/71/562661371.db2.gz KWHMJAXJPONKEI-UHFFFAOYSA-N 0 3 504.940 6.538 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000048307297 562662861 /nfs/dbraw/zinc/66/28/61/562662861.db2.gz WSGPYYOEACVISQ-UHFFFAOYSA-N 0 3 637.681 7.078 1 0 KKAFHN O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000048307279 562662909 /nfs/dbraw/zinc/66/29/09/562662909.db2.gz YULHSCHRHAVYAX-FTJBHMTQSA-N 0 3 548.609 5.977 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)cs1)C1CCCCC1 ZINC000049072313 562664234 /nfs/dbraw/zinc/66/42/34/562664234.db2.gz OWHXKYSKEROHGU-CNVLFFCLSA-N 0 3 504.700 5.300 1 0 in-vitro KKAFHN C[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1CN1CCC(N2CCCCC2=O)CC1)C1CCCCC1 ZINC000049604900 562665041 /nfs/dbraw/zinc/66/50/41/562665041.db2.gz NFHJETRNXWUWDP-QHCPKHFHSA-N 0 3 558.792 6.639 1 0 KKAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N(c1ccccc1)S(C)(=O)=O ZINC000049604901 562665051 /nfs/dbraw/zinc/66/50/51/562665051.db2.gz JCNYDFIVOVCALD-CQTOTRCISA-N 0 3 678.777 6.339 1 0 KKAFHN CCN(CC)CCN(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049605100 562665340 /nfs/dbraw/zinc/66/53/40/562665340.db2.gz XGOMGMXRVFNPHT-UHFFFAOYSA-N 0 3 704.784 7.949 1 0 KKAFHN CN1CCN(CCc2ccc3[nH]c(-c4csc(Cc5cc(Cl)ccc5OCc5ccccc5)n4)nc3c2)CC1 ZINC000049605233 562665580 /nfs/dbraw/zinc/66/55/80/562665580.db2.gz LYMOKEWQKIEWRP-UHFFFAOYSA-N 0 3 558.151 6.300 1 0 KKAFHN CN1CCN(CCc2ccc3nc(-c4csc(Cc5cc(Cl)ccc5OCc5ccccc5)n4)[nH]c3c2)CC1 ZINC000049605233 562665581 /nfs/dbraw/zinc/66/55/81/562665581.db2.gz LYMOKEWQKIEWRP-UHFFFAOYSA-N 0 3 558.151 6.300 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605278 562665638 /nfs/dbraw/zinc/66/56/38/562665638.db2.gz PZOWECREPCMKDZ-VZUCSPMQSA-N 0 3 557.444 6.162 1 0 KKAFHN CCOc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000049605303 562665689 /nfs/dbraw/zinc/66/56/89/562665689.db2.gz LMTNQCKBZCTTJG-UHFFFAOYSA-N 0 3 570.496 6.017 1 0 KKAFHN O=C(NC1CCCCC1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605308 562665696 /nfs/dbraw/zinc/66/56/96/562665696.db2.gz RPSPIKHKAXFKFU-UHFFFAOYSA-N 0 3 542.753 6.231 1 0 KKAFHN CS(=O)(=O)N(c1cccc(F)c1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000049605313 562665698 /nfs/dbraw/zinc/66/56/98/562665698.db2.gz BMRRZOPHQQYZFR-JHOUSYSJSA-N 0 3 712.766 5.561 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049605348 562665720 /nfs/dbraw/zinc/66/57/20/562665720.db2.gz JUJINSDVRLQLTO-PKNBQFBNSA-N 0 3 571.471 6.552 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049605406 562665845 /nfs/dbraw/zinc/66/58/45/562665845.db2.gz NGPQLLIDARIUAG-YRNVUSSQSA-N 0 3 553.481 6.201 1 0 KKAFHN C[C@H](CNC(=N)c1cccc(C(=N)NC[C@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000049605462 562665890 /nfs/dbraw/zinc/66/58/90/562665890.db2.gz ZDBRQEJTXFFMQB-MKPDMIMOSA-N 0 3 595.832 7.942 1 0 KKAFHN O=C(N[C@@H]1C[C@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605736 562666293 /nfs/dbraw/zinc/66/62/93/562666293.db2.gz UPECNCZLZOVUOM-AJQTZOPKSA-N 0 3 576.770 6.454 1 0 KKAFHN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605792 562666374 /nfs/dbraw/zinc/66/63/74/562666374.db2.gz NLPYUOOSZXDDEC-XUVXKRRUSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049625441 562666797 /nfs/dbraw/zinc/66/67/97/562666797.db2.gz UOYHHUKUSBEJQM-BHDDXSALSA-N 0 3 537.919 5.933 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049626056 562667003 /nfs/dbraw/zinc/66/70/03/562667003.db2.gz QYTSWYPEPUQVCC-ZGAWMTGXSA-N 0 3 632.805 6.300 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049626062 562667029 /nfs/dbraw/zinc/66/70/29/562667029.db2.gz QYTSWYPEPUQVCC-LFGICVIVSA-N 0 3 632.805 6.300 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000049626354 562667153 /nfs/dbraw/zinc/66/71/53/562667153.db2.gz XACYZNUBDRDHNM-FTJBHMTQSA-N 0 3 548.609 5.977 1 0 KKAFHN CCOC(=O)c1ccc(NC(=O)N[C@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049626654 562667284 /nfs/dbraw/zinc/66/72/84/562667284.db2.gz UGNIWKNDOCCEKX-ZFLSFVSKSA-N 0 3 561.510 5.366 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049627081 562667500 /nfs/dbraw/zinc/66/75/00/562667500.db2.gz YRHOQADJUCJNBD-SOFGYWHQSA-N 0 3 539.454 5.811 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000049627084 562667516 /nfs/dbraw/zinc/66/75/16/562667516.db2.gz ZWYSFQFCKATTPO-WUXMJOGZSA-N 0 3 553.987 6.351 1 0 KKAFHN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000049639217 562667713 /nfs/dbraw/zinc/66/77/13/562667713.db2.gz RQFYVNYMMZIFPY-VGOFMYFVSA-N 0 3 537.026 5.898 1 0 KKAFHN O=C(NCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049639859 562667844 /nfs/dbraw/zinc/66/78/44/562667844.db2.gz RJZPCUVMLZBWGD-UHFFFAOYSA-N 0 3 681.708 10.143 1 0 KKAFHN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1c1ccncc1 ZINC000049678541 562668570 /nfs/dbraw/zinc/66/85/70/562668570.db2.gz AWFMMMYPYHZILD-JHOBJCJYSA-N 0 3 569.673 5.587 1 0 KKAFHN CCN1CCN(c2nc3cc(C)ccc3c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)n2)CC1 ZINC000049694529 562669445 /nfs/dbraw/zinc/66/94/45/562669445.db2.gz ROCQMJAHJBLYBH-UHFFFAOYSA-N 0 3 577.777 5.543 1 0 KKAFHN Cc1ccc(C(OC[C@@H](O)CN2CCCN(C[C@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049695301 562670397 /nfs/dbraw/zinc/67/03/97/562670397.db2.gz XQCPRRIYLNZGGI-YDAXCOIMSA-N 0 3 636.877 6.562 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2cc(C)ccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049711227 562672026 /nfs/dbraw/zinc/67/20/26/562672026.db2.gz BDMQLVQLAKQNAF-UHFFFAOYSA-N 0 3 690.757 7.825 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049722590 562672218 /nfs/dbraw/zinc/67/22/18/562672218.db2.gz WKKXFGIJMRPOAF-MHZLTWQESA-N 0 3 670.490 7.044 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722789 562672556 /nfs/dbraw/zinc/67/25/56/562672556.db2.gz UIVCBOULXFLNQF-UHFFFAOYSA-N 0 3 668.228 8.287 1 0 KKAFHN O=C(NCC1CCN(CCN2CCc3ccc4c(c3C2)OCO4)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722945 562672771 /nfs/dbraw/zinc/67/27/71/562672771.db2.gz YSMJNYBYOIXKLQ-UHFFFAOYSA-N 0 3 565.636 5.601 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cccc(C(F)(F)F)c3)CCO2)CC1 ZINC000049723049 562672859 /nfs/dbraw/zinc/67/28/59/562672859.db2.gz RPUAMPNKURYVLZ-XIFFEERXSA-N 0 3 677.595 8.070 1 0 KKAFHN CC(C)[C@H](N)c1cn([C@H](c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)C(C)C)nn1 ZINC000049723061 562672899 /nfs/dbraw/zinc/67/28/99/562672899.db2.gz HXVGJABFMGLVEA-LOBJQDIOSA-N 0 3 661.863 5.641 1 0 KKAFHN CC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)nn1 ZINC000049723060 562672924 /nfs/dbraw/zinc/67/29/24/562672924.db2.gz JRLWOBNPZVAIRF-MESOCYPDSA-N 0 3 709.907 6.227 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 ZINC000049756303 562674952 /nfs/dbraw/zinc/67/49/52/562674952.db2.gz TZLGIAYWQIKOLM-HKBQPEDESA-N 0 3 561.767 5.962 1 0 KKAFHN COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc21 ZINC000049757186 562675646 /nfs/dbraw/zinc/67/56/46/562675646.db2.gz DCKMTGBFLNPJPS-UHFFFAOYSA-N 0 3 570.719 5.684 1 0 KKAFHN CCN(C[C@@H](COCc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](COCc1ccccc1)NC(=O)OCc1nccs1 ZINC000049771144 562677978 /nfs/dbraw/zinc/67/79/78/562677978.db2.gz CZQXPDBVKLWLQZ-NSOVKSMOSA-N 0 3 653.827 5.245 1 0 KKAFHN CC(C)[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771178 562678031 /nfs/dbraw/zinc/67/80/31/562678031.db2.gz JJYCGWVLRXDIGY-SKXFTCKDSA-N 0 3 639.979 6.033 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cnc[nH]5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774658 562678697 /nfs/dbraw/zinc/67/86/97/562678697.db2.gz JPQXHCVMHRKCDV-LJAQVGFWSA-N 0 3 612.844 5.301 1 0 KKAFHN CC(C)(C)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049775551 562679129 /nfs/dbraw/zinc/67/91/29/562679129.db2.gz XBOFJPSCQGVLPB-VSGBNLITSA-N 0 3 635.856 6.323 1 0 KKAFHN O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000049776984 562679475 /nfs/dbraw/zinc/67/94/75/562679475.db2.gz PGRZDFUKUNJXDD-QNGWXLTQSA-N 0 3 636.881 5.948 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777057 562679583 /nfs/dbraw/zinc/67/95/83/562679583.db2.gz JXPNJRFLIWRZMU-PMERELPUSA-N 0 3 616.872 5.557 1 0 KKAFHN O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C2(CC2)CNC1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049777912 562680667 /nfs/dbraw/zinc/68/06/67/562680667.db2.gz ASDPDWUVPBMSDF-UHFFFAOYSA-N 0 3 631.978 8.265 1 0 KKAFHN CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049785582 562684052 /nfs/dbraw/zinc/68/40/52/562684052.db2.gz BQYUDMQJOHMTEM-UHFFFAOYSA-N 0 3 555.686 7.486 1 0 KKAFHN CC(C)CN(C)C(=O)c1ccc2c(c1)[nH]c(-c1cc(Cc3ccccc3)[nH]n1)c2CNCc1ccc(F)cc1 ZINC000049808304 562686638 /nfs/dbraw/zinc/68/66/38/562686638.db2.gz KHTCGPGBJMRYTB-UHFFFAOYSA-N 0 3 523.656 6.306 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049823288 562687161 /nfs/dbraw/zinc/68/71/61/562687161.db2.gz LEISAHGPHFOWKZ-GDLZYMKVSA-N 0 3 665.279 5.029 1 0 KKAFHN O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 ZINC000049872344 562689965 /nfs/dbraw/zinc/68/99/65/562689965.db2.gz ZCFZBUNCKXEBAK-UHFFFAOYSA-N 0 3 537.583 5.414 1 0 KKAFHN CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2CN2CCCCC2)o1 ZINC000049872444 562690039 /nfs/dbraw/zinc/69/00/39/562690039.db2.gz QMBSLVXKWCEUDI-UHFFFAOYSA-N 0 3 544.914 7.833 1 0 KKAFHN CN(C)Cc1ccc2[nH]c(-c3cccc(Cc4cc(Cl)ccc4OCc4ccc(Cl)cc4F)n3)nc2c1 ZINC000049908061 562693492 /nfs/dbraw/zinc/69/34/92/562693492.db2.gz QPYNDVKBMMJDRH-UHFFFAOYSA-N 0 3 535.450 7.302 1 0 KKAFHN O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917588 562693658 /nfs/dbraw/zinc/69/36/58/562693658.db2.gz GGIHBVOKRSMNKK-SDHOMARFSA-N 0 3 543.539 5.768 1 0 KKAFHN CN(CCN1CCC(c2c[nH]c3ccccc32)CC1)C(=O)OCCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049917619 562693701 /nfs/dbraw/zinc/69/37/01/562693701.db2.gz IHDOUWCUEPZZFK-ZRDIBKRKSA-N 0 3 585.576 6.722 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)c(F)cc1F ZINC000049917870 562694093 /nfs/dbraw/zinc/69/40/93/562694093.db2.gz ATTKFXUOOVHJGA-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917960 562694212 /nfs/dbraw/zinc/69/42/12/562694212.db2.gz AGLUKBSNZHMNNX-XUVXKRRUSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917958 562694232 /nfs/dbraw/zinc/69/42/32/562694232.db2.gz AGLUKBSNZHMNNX-ZCNNSNEGSA-N 0 3 572.364 6.586 1 0 KKAFHN CN1CCN(CCCN(Cc2cccc(-c3ccc(CNCc4ccc5c(c4)OCO5)cc3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049917976 562694283 /nfs/dbraw/zinc/69/42/83/562694283.db2.gz DFTHZVATPKLMOR-UHFFFAOYSA-N 0 3 605.783 6.044 1 0 KKAFHN COc1ccc(C(=O)CCC(=O)N(CCSC(C)(C)C)Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049918151 562694515 /nfs/dbraw/zinc/69/45/15/562694515.db2.gz HXTJWJDTMJCKAH-UHFFFAOYSA-N 0 3 719.945 7.156 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)c(F)c(F)c1 ZINC000049918156 562694561 /nfs/dbraw/zinc/69/45/61/562694561.db2.gz SJAKUUXLZCPYDX-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000049918167 562694575 /nfs/dbraw/zinc/69/45/75/562694575.db2.gz YJRITMRKSVKGDM-MFMCTBQISA-N 0 3 620.716 6.103 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CCC[C@H](NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918198 562694598 /nfs/dbraw/zinc/69/45/98/562694598.db2.gz OUIYXSOGPADYFB-LJAQVGFWSA-N 0 3 657.639 7.570 1 0 KKAFHN COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)CCNC2)C2CC2)c1C ZINC000049925433 562694744 /nfs/dbraw/zinc/69/47/44/562694744.db2.gz WMSGXMSFQWCEOR-UHFFFAOYSA-N 0 3 581.103 6.885 1 0 KKAFHN CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000049938440 562695335 /nfs/dbraw/zinc/69/53/35/562695335.db2.gz IOOZPOJLJXNYOT-VWLOTQADSA-N 0 3 715.742 5.553 1 0 KKAFHN COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 ZINC000053050668 562696115 /nfs/dbraw/zinc/69/61/15/562696115.db2.gz AVIOZEGAUFSOTR-UHFFFAOYSA-N 0 3 501.071 5.391 1 0 in-vitro KKAFHN O=c1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)c[nH]1 ZINC000055723224 562697759 /nfs/dbraw/zinc/69/77/59/562697759.db2.gz WODXCEOADJHAKH-UHFFFAOYSA-N 0 3 555.642 5.110 1 0 KKAFHN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCCN(C)C)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000058533424 562698680 /nfs/dbraw/zinc/69/86/80/562698680.db2.gz JYIHNEXEMOABLT-SWXYMPDUSA-N 0 3 501.796 8.111 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000058583245 562700058 /nfs/dbraw/zinc/70/00/58/562700058.db2.gz QAAYSLMGQUQUDQ-HSZRJFAPSA-N 0 3 651.031 5.934 1 0 KKAFHN CC(C)CC1C(=O)N(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)S(=O)(=O)N1Cc1ccccc1 ZINC000058584071 562700198 /nfs/dbraw/zinc/70/01/98/562700198.db2.gz LXVFGURMZLZZPJ-VWLOTQADSA-N 0 3 590.529 5.784 1 0 KKAFHN CC(C)CC1C(=O)N(COC(=O)[C@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058591230 562700446 /nfs/dbraw/zinc/70/04/46/562700446.db2.gz SZNGJZRKYQQJBL-AMGIVPHBSA-N 0 3 536.650 5.087 1 0 KKAFHN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)NCCN(C)C)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000058640776 562701228 /nfs/dbraw/zinc/70/12/28/562701228.db2.gz PGHIPIGOJWYVSA-AMEOGUEXSA-N 0 3 556.876 7.398 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(OCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033258 562701628 /nfs/dbraw/zinc/70/16/28/562701628.db2.gz NBYDAJFVSYGLLS-XMMPIXPASA-N 0 3 565.755 6.718 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(OCC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033258 562701629 /nfs/dbraw/zinc/70/16/29/562701629.db2.gz NBYDAJFVSYGLLS-XMMPIXPASA-N 0 3 565.755 6.718 1 0 KKAFHN COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000059796437 562702378 /nfs/dbraw/zinc/70/23/78/562702378.db2.gz JTGKUZGKSYNODZ-OETVIHDQSA-N 0 3 500.642 6.557 3 0 KKAFHN O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(CCCOc2ccccc2)CC1 ZINC000061903103 562702948 /nfs/dbraw/zinc/70/29/48/562702948.db2.gz YIBWFLHBLUUTEL-HKBQPEDESA-N 0 3 506.650 5.530 3 0 KKAFHN Cn1cc(CN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC000061906729 562703109 /nfs/dbraw/zinc/70/31/09/562703109.db2.gz KZDWDINWVSMMAP-WJOKGBTCSA-N 0 3 506.625 5.983 3 0 KKAFHN COc1ccc(N2c3ccccc3CN(Cc3ccccc3)C[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921051 562703120 /nfs/dbraw/zinc/70/31/20/562703120.db2.gz ZZOLLJSJHAOYSU-NDEPHWFRSA-N 0 3 524.661 6.486 3 0 KKAFHN COc1ccccc1-c1sc2cc(OC)c(OC)cc2c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000061947970 562704205 /nfs/dbraw/zinc/70/42/05/562704205.db2.gz GQKRYQCHDLPPRE-UHFFFAOYSA-N 0 3 503.664 7.126 3 0 KKAFHN COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn32)n1 ZINC000063539875 562704532 /nfs/dbraw/zinc/70/45/32/562704532.db2.gz ILUGAYBMBIJXHC-UHFFFAOYSA-N 0 3 589.725 6.515 1 0 KKAFHN CN1C[C@@H]2CC[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1 ZINC000064447734 562705405 /nfs/dbraw/zinc/70/54/05/562705405.db2.gz DHOHJHINZMGEQL-ZEQRLZLVSA-N 0 3 512.621 5.284 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc([C@@]3(O)CCNC[C@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000064513760 562706475 /nfs/dbraw/zinc/70/64/75/562706475.db2.gz BUELDWWCLYPLID-UVMMSNCQSA-N 0 3 597.583 6.365 1 0 KKAFHN COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593835 562708790 /nfs/dbraw/zinc/70/87/90/562708790.db2.gz VOTBTNSFNLURLT-FSOZDLKISA-N 0 3 568.639 7.576 3 0 KKAFHN C[C@H]1CN(C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073932 562709590 /nfs/dbraw/zinc/70/95/90/562709590.db2.gz QCTSPULDYKATSX-FQEVSTJZSA-N 0 3 621.440 6.800 1 0 KKAFHN CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NS(C)(=O)=O)(c2ccccc2)CC1 ZINC000066076293 562710152 /nfs/dbraw/zinc/71/01/52/562710152.db2.gz BKYRIMQMIWLUBG-SUYBVONHSA-N 0 3 600.612 5.450 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCN2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066102586 562711481 /nfs/dbraw/zinc/71/14/81/562711481.db2.gz FYONRHDEVCYUIG-SITIXWHRSA-N 0 3 565.640 5.695 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc([C@H](C)O)c2)c1 ZINC000070631560 562716401 /nfs/dbraw/zinc/71/64/01/562716401.db2.gz CCXLPKUGGVFGGS-AWDLRCALSA-N 0 3 631.720 5.010 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000071294927 562717019 /nfs/dbraw/zinc/71/70/19/562717019.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 0 3 600.771 5.957 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000071294927 562717020 /nfs/dbraw/zinc/71/70/20/562717020.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 0 3 600.771 5.957 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000071294927 562717021 /nfs/dbraw/zinc/71/70/21/562717021.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 0 3 600.771 5.957 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000071294927 562717022 /nfs/dbraw/zinc/71/70/22/562717022.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 0 3 600.771 5.957 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072103974 562720383 /nfs/dbraw/zinc/72/03/83/562720383.db2.gz SVKHAVGWIITPOK-HQPLKVBUSA-N 0 3 714.058 6.528 3 0 KKAFHN CC(C)C[C@@H](N)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118154 562723370 /nfs/dbraw/zinc/72/33/70/562723370.db2.gz QIIPFEXSUMEYSF-XMMPIXPASA-N 0 3 560.542 7.556 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127718 562725818 /nfs/dbraw/zinc/72/58/18/562725818.db2.gz URKCJPXHIQHWTQ-ZYADHFCISA-N 0 3 728.041 6.074 3 0 KKAFHN CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128637 562726152 /nfs/dbraw/zinc/72/61/52/562726152.db2.gz LNLNGNGPLSBRDR-ZORMNXRFSA-N 0 3 668.279 5.679 3 0 KKAFHN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@]12CCCN1C(=O)N(CCCCN1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128761 562726304 /nfs/dbraw/zinc/72/63/04/562726304.db2.gz HNDPSBWXLXUVKK-RRHRGVEJSA-N 0 3 710.945 5.907 1 0 KKAFHN Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135851 562727606 /nfs/dbraw/zinc/72/76/06/562727606.db2.gz ROVGVQKXMAMTLO-HQPLKVBUSA-N 0 3 712.042 6.369 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072135903 562727657 /nfs/dbraw/zinc/72/76/57/562727657.db2.gz RZBAHHBRQVWZMS-YZZMFXRHSA-N 0 3 617.790 7.128 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138316 562728736 /nfs/dbraw/zinc/72/87/36/562728736.db2.gz RXMLNHHGSMPDLP-JWUQWVJQSA-N 0 3 593.690 6.354 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072139922 562729115 /nfs/dbraw/zinc/72/91/15/562729115.db2.gz SGKISRCTDKZMEW-KWRMZWAXSA-N 0 3 692.052 6.562 3 0 KKAFHN O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)N[C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000072141967 562729466 /nfs/dbraw/zinc/72/94/66/562729466.db2.gz VASLCTSKOJSHJP-VIDGLSEISA-N 0 3 553.625 5.093 3 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@@H]2CNCC[C@@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147623 562729734 /nfs/dbraw/zinc/72/97/34/562729734.db2.gz XQJYPYVXYANJRR-IPZQJPLYSA-N 0 3 662.054 6.590 1 0 KKAFHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@H]4CN4CCCC4)cc3OC)nc1-2 ZINC000072176312 562731599 /nfs/dbraw/zinc/73/15/99/562731599.db2.gz LTKUHPWNVCRTSA-NDEPHWFRSA-N 0 3 662.839 5.805 1 0 KKAFHN C[C@H](Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180410 562732495 /nfs/dbraw/zinc/73/24/95/562732495.db2.gz KOOGZNWWYRPBFJ-XHSDSOJGSA-N 0 3 517.432 5.739 1 0 KKAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(OC(F)F)cc2)c2cccc(F)c12)C1CC1 ZINC000073140377 562733605 /nfs/dbraw/zinc/73/36/05/562733605.db2.gz XHUFNAKJPMHBAE-QNLPTKCRSA-N 0 3 599.600 5.697 1 0 KKAFHN O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000073140949 562733668 /nfs/dbraw/zinc/73/36/68/562733668.db2.gz LLBZLFNYOYVBFX-UHFFFAOYSA-N 0 3 579.724 5.039 1 0 KKAFHN O=S(=O)([N-]c1cc(-c2ccc3ncc(NCC[NH+]4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073142143 562733746 /nfs/dbraw/zinc/73/37/46/562733746.db2.gz GIFGUUZRMKEHAB-UHFFFAOYSA-N 0 3 541.052 5.183 1 0 KKAFHN COCCCc1cccc2cccc(CN(C(=O)[C@H]3CNCC[C@@]34OCc3cc(F)c(F)cc34)C3CC3)c21 ZINC000073195741 562734959 /nfs/dbraw/zinc/73/49/59/562734959.db2.gz HPNCTFIRUULSCT-NEEKEDPPSA-N 0 3 520.620 5.223 1 0 KKAFHN CC[C@@H](C)[C@@]1(N)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O ZINC000073196271 562735090 /nfs/dbraw/zinc/73/50/90/562735090.db2.gz GDLPSXPOCXMLPO-VXEAUJJWSA-N 0 3 634.906 5.021 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2Cl)c2ccc(Br)cc2)CC1 ZINC000073198190 562735604 /nfs/dbraw/zinc/73/56/04/562735604.db2.gz SAPIKJFPEVQOKS-IBGZPJMESA-N 0 3 624.838 7.484 1 0 KKAFHN CC(C)(N)C(=O)Nc1cc(-c2ccc(OCC(F)(F)F)cc2)cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073198441 562735662 /nfs/dbraw/zinc/73/56/62/562735662.db2.gz BAUOIBKYDAJGMV-QHCPKHFHSA-N 0 3 607.464 6.890 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)CC2)c1 ZINC000073218954 562736152 /nfs/dbraw/zinc/73/61/52/562736152.db2.gz PKRAXBBHKJLMPT-UHFFFAOYSA-N 0 3 515.057 5.945 1 0 KKAFHN COc1ccc2c(c1)c(=O)n(CCCN1CCC(c3cccc(NC(C)=O)c3)CC1)nc2-c1ccc(Cl)cc1 ZINC000073223278 562736459 /nfs/dbraw/zinc/73/64/59/562736459.db2.gz YRVJUNSQURNVPU-UHFFFAOYSA-N 0 3 545.083 5.954 1 0 KKAFHN COc1cccc(CN(c2ccc(Br)cc2)C2CCN([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000082157451 562740886 /nfs/dbraw/zinc/74/08/86/562740886.db2.gz WKCUCNKLVWTUOU-FQEVSTJZSA-N 0 3 620.419 6.839 1 0 KKAFHN C[C@@H](NCc1ccccc1-c1ccc(CC[NH2+]CCc2ccc([O-])c3[nH]c(=O)sc32)cc1)c1ccccc1 ZINC000082159892 562741156 /nfs/dbraw/zinc/74/11/56/562741156.db2.gz NUHRBFJHZFLLAI-JOCHJYFZSA-N 0 3 523.702 6.188 1 0 KKAFHN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000084373618 562742888 /nfs/dbraw/zinc/74/28/88/562742888.db2.gz JSGFOPNBVQAGAL-UHFFFAOYSA-N 0 3 606.425 7.017 1 0 KKAFHN O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2c(Cl)cccc2Cl)c1Br ZINC000084596659 562743791 /nfs/dbraw/zinc/74/37/91/562743791.db2.gz BBXHLOWFZRSHFF-GIPWTMENSA-N 0 3 504.158 5.654 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3[C@@H](C1)C2 ZINC000084614736 562744394 /nfs/dbraw/zinc/74/43/94/562744394.db2.gz IMMJGBGHWQTBLQ-SXOMAYOGSA-N 0 3 641.731 11.219 1 0 KKAFHN Fc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084653496 562746870 /nfs/dbraw/zinc/74/68/70/562746870.db2.gz YMDHZMGPKRALSL-YTTGMZPUSA-N 0 3 546.606 5.850 1 0 KKAFHN Cc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)c(O[C@H](C)c4ccccc4C(F)(F)F)c3)c2)sc1CN(C)C ZINC000084654425 562747268 /nfs/dbraw/zinc/74/72/68/562747268.db2.gz CUQJLXJQXXVHHB-QGZVFWFLSA-N 0 3 554.638 6.687 1 0 KKAFHN CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4cc(NCc5ccc(-c6ccccn6)cc5)ccc4[nH]3)c2c1)c1ccccc1 ZINC000084669606 562748030 /nfs/dbraw/zinc/74/80/30/562748030.db2.gz UDUJMNSPFCQWTL-UUWRZZSWSA-N 0 3 606.734 6.813 1 0 KKAFHN CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(-c6ccccn6)cc5)cc4[nH]3)c2c1)c1ccccc1 ZINC000084669606 562748031 /nfs/dbraw/zinc/74/80/31/562748031.db2.gz UDUJMNSPFCQWTL-UUWRZZSWSA-N 0 3 606.734 6.813 1 0 KKAFHN CCN(CC)CC(=O)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)CN(CC)CC)cc6)nn5)cc4c3)nn2)cc1 ZINC000084689232 562749285 /nfs/dbraw/zinc/74/92/85/562749285.db2.gz DJHPSUBYKBMKBC-UHFFFAOYSA-N 0 3 670.822 5.896 1 0 KKAFHN CCN(CC)CC(=O)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)CN(CC)CC)c6)nn5)cc4c3)nn2)c1 ZINC000084689231 562749319 /nfs/dbraw/zinc/74/93/19/562749319.db2.gz WXTDHADVBWQHLW-UHFFFAOYSA-N 0 3 670.822 5.896 1 0 KKAFHN Fc1cc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)ccc1Cl ZINC000084709169 562750286 /nfs/dbraw/zinc/75/02/86/562750286.db2.gz TYJLQBFGIJNZAL-JGCGQSQUSA-N 0 3 581.051 6.503 1 0 KKAFHN Fc1cc(F)cc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)c1 ZINC000084723436 562751087 /nfs/dbraw/zinc/75/10/87/562751087.db2.gz IOEWHUVVOHHRDF-MUUNZHRXSA-N 0 3 520.967 6.185 1 0 KKAFHN COc1ccc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c(OC)c1OC ZINC000095541760 562756323 /nfs/dbraw/zinc/75/63/23/562756323.db2.gz CTPOZVITFCJCLL-QLKFWGTOSA-N 0 3 748.852 6.747 1 0 KKAFHN O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000095543548 562757345 /nfs/dbraw/zinc/75/73/45/562757345.db2.gz LCDFLCDWPLFFSC-NSOVKSMOSA-N 0 3 630.619 5.416 1 0 in-vitro KKAFHN CCCCCC[P@](=O)(COc1ccc(CCN(C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548890 562759600 /nfs/dbraw/zinc/75/96/00/562759600.db2.gz HGLRSGVEGXDYFV-JIRHPVPXSA-N 0 3 819.937 6.583 1 0 KKAFHN CCN1CCN(C[C@@H]2S[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550405 562760155 /nfs/dbraw/zinc/76/01/55/562760155.db2.gz VXILBVIYBFDZND-VBTAUBHQSA-N 0 3 760.752 6.417 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553369 562760907 /nfs/dbraw/zinc/76/09/07/562760907.db2.gz ATLHHAOOYRUXSA-HUPLPMRHSA-N 0 3 801.053 6.126 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553370 562760934 /nfs/dbraw/zinc/76/09/34/562760934.db2.gz ATLHHAOOYRUXSA-AHLVSNMJSA-N 0 3 801.053 6.126 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095565961 562764742 /nfs/dbraw/zinc/76/47/42/562764742.db2.gz AMEWTOKWBIKYEC-XUKQSAIQSA-N 0 3 664.807 5.446 1 0 KKAFHN O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)N[C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000095566148 562764792 /nfs/dbraw/zinc/76/47/92/562764792.db2.gz PSCSNFZNCDTHDQ-VIDGLSEISA-N 0 3 626.473 5.475 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566346 562764903 /nfs/dbraw/zinc/76/49/03/562764903.db2.gz QMCFBRPLMVFDBX-VBEKBXFHSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566346 562764904 /nfs/dbraw/zinc/76/49/04/562764904.db2.gz QMCFBRPLMVFDBX-VBEKBXFHSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566392 562764932 /nfs/dbraw/zinc/76/49/32/562764932.db2.gz HMCLAGFKTYIJCB-NJQVLOCASA-N 0 3 648.726 6.784 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095566461 562765029 /nfs/dbraw/zinc/76/50/29/562765029.db2.gz FLOZMHQLKWUFJL-NIAOJTHTSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095566461 562765030 /nfs/dbraw/zinc/76/50/30/562765030.db2.gz FLOZMHQLKWUFJL-NIAOJTHTSA-N 0 3 655.044 5.729 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095566461 562765031 /nfs/dbraw/zinc/76/50/31/562765031.db2.gz FLOZMHQLKWUFJL-NIAOJTHTSA-N 0 3 655.044 5.729 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566573 562765099 /nfs/dbraw/zinc/76/50/99/562765099.db2.gz GQPLODGYDYCVNT-URCPOSBSSA-N 0 3 650.625 5.084 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567101 562765556 /nfs/dbraw/zinc/76/55/56/562765556.db2.gz HLJJEFQTBOXRLT-GGXMLBGGSA-N 0 3 644.816 6.379 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095567318 562765662 /nfs/dbraw/zinc/76/56/62/562765662.db2.gz RRTIWHGSFRWPSK-SYZUXVNWSA-N 0 3 598.666 5.630 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567458 562765801 /nfs/dbraw/zinc/76/58/01/562765801.db2.gz UGALTWQJAJNGEN-LSJJIYBBSA-N 0 3 720.292 5.256 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567458 562765802 /nfs/dbraw/zinc/76/58/02/562765802.db2.gz UGALTWQJAJNGEN-LSJJIYBBSA-N 0 3 720.292 5.256 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567821 562766119 /nfs/dbraw/zinc/76/61/19/562766119.db2.gz VYCOOHAMPRTWAW-YHPNNPEYSA-N 0 3 719.927 6.745 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569001 562767082 /nfs/dbraw/zinc/76/70/82/562767082.db2.gz AYTPHXXENYRUGZ-WISKXVKBSA-N 0 3 646.027 6.761 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095569108 562767198 /nfs/dbraw/zinc/76/71/98/562767198.db2.gz WVAVZXUUZRXWFN-XDWGWCSASA-N 0 3 613.780 5.507 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095569108 562767199 /nfs/dbraw/zinc/76/71/99/562767199.db2.gz WVAVZXUUZRXWFN-XDWGWCSASA-N 0 3 613.780 5.507 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569334 562767325 /nfs/dbraw/zinc/76/73/25/562767325.db2.gz YDQHBDWJWTWAAY-LPBFERMMSA-N 0 3 642.675 5.359 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569336 562767369 /nfs/dbraw/zinc/76/73/69/562767369.db2.gz QMCFBRPLMVFDBX-WGKZYHDKSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569336 562767370 /nfs/dbraw/zinc/76/73/70/562767370.db2.gz QMCFBRPLMVFDBX-WGKZYHDKSA-N 0 3 740.285 7.087 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095569451 562767466 /nfs/dbraw/zinc/76/74/66/562767466.db2.gz BWUBMXZZYOWTMV-NPKFRGRUSA-N 0 3 628.692 5.639 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095569507 562767490 /nfs/dbraw/zinc/76/74/90/562767490.db2.gz AEJZUCBWZLFKKV-NPKFRGRUSA-N 0 3 628.692 5.639 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095570355 562768126 /nfs/dbraw/zinc/76/81/26/562768126.db2.gz YEMFTFQZFYNTOU-BVXAZASISA-N 0 3 634.699 6.855 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095570468 562768224 /nfs/dbraw/zinc/76/82/24/562768224.db2.gz FGZYRMRERWZGKV-GTNJKRJXSA-N 0 3 614.665 5.710 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095570718 562768407 /nfs/dbraw/zinc/76/84/07/562768407.db2.gz XGMQKVJTWVADHD-BYIYZAFRSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095570713 562768413 /nfs/dbraw/zinc/76/84/13/562768413.db2.gz GDLSESYYEZMWDL-CAHKVJEUSA-N 0 3 697.799 6.167 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095571239 562768910 /nfs/dbraw/zinc/76/89/10/562768910.db2.gz HOPYMWLRLXEYET-SXIDADOMSA-N 0 3 708.816 5.175 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095571381 562768979 /nfs/dbraw/zinc/76/89/79/562768979.db2.gz BWUBMXZZYOWTMV-VDZJOXJSSA-N 0 3 628.692 5.639 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095571579 562769150 /nfs/dbraw/zinc/76/91/50/562769150.db2.gz CBQVGICLIDWTFD-GVNDJSPXSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095571579 562769151 /nfs/dbraw/zinc/76/91/51/562769151.db2.gz CBQVGICLIDWTFD-GVNDJSPXSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095571579 562769152 /nfs/dbraw/zinc/76/91/52/562769152.db2.gz CBQVGICLIDWTFD-GVNDJSPXSA-N 0 3 620.599 5.075 1 0 KKAFHN CCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577681 562771058 /nfs/dbraw/zinc/77/10/58/562771058.db2.gz MRNBFGIRQWINAX-GMQQYTKMSA-N 0 3 562.780 5.628 1 0 KKAFHN CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095578862 562771387 /nfs/dbraw/zinc/77/13/87/562771387.db2.gz VVTHOFKODCZWHN-UXDLUSBVSA-N 0 3 503.712 5.659 1 0 KKAFHN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095587956 562774496 /nfs/dbraw/zinc/77/44/96/562774496.db2.gz JIANCPANEHFDSY-UHFFFAOYSA-N 0 3 667.341 12.197 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@H](O)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588339 562774615 /nfs/dbraw/zinc/77/46/15/562774615.db2.gz NARRGMMZZFHNIL-SANMLTNESA-N 0 3 538.595 6.557 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4c([C@H](O)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588339 562774616 /nfs/dbraw/zinc/77/46/16/562774616.db2.gz NARRGMMZZFHNIL-SANMLTNESA-N 0 3 538.595 6.557 1 0 KKAFHN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095588983 562774781 /nfs/dbraw/zinc/77/47/81/562774781.db2.gz SNSRJILUVKITFA-UHFFFAOYSA-N 0 3 634.868 10.772 1 0 KKAFHN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095591613 562775690 /nfs/dbraw/zinc/77/56/90/562775690.db2.gz RDWJEDDPDHYEAR-UHFFFAOYSA-N 0 3 606.814 9.992 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+][C@@H]4C[C@H]5CC[C@@H]4C5)c(C)c3oc2=O)ccc1[O-] ZINC000095595858 562776847 /nfs/dbraw/zinc/77/68/47/562776847.db2.gz BTIJZRUNJHCDJY-VVZHRXSXSA-N 0 3 530.665 6.115 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095599154 562777792 /nfs/dbraw/zinc/77/77/92/562777792.db2.gz KVYNYDNSHYPGTF-FBTROWELSA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095599294 562777939 /nfs/dbraw/zinc/77/79/39/562777939.db2.gz TWIGAEAIANFZGS-DVHCVUMVSA-N 0 3 602.629 5.841 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095599712 562778267 /nfs/dbraw/zinc/77/82/67/562778267.db2.gz RRRJJHOCKYLCQN-INRPXOMJSA-N 0 3 631.814 5.875 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600259 562778748 /nfs/dbraw/zinc/77/87/48/562778748.db2.gz LFZLAWVTNRSJHJ-IHLWBQKJSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600565 562779051 /nfs/dbraw/zinc/77/90/51/562779051.db2.gz UQRVVYXDOOLUAO-BEAGFIRGSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600565 562779052 /nfs/dbraw/zinc/77/90/52/562779052.db2.gz UQRVVYXDOOLUAO-BEAGFIRGSA-N 0 3 723.830 6.573 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600727 562779146 /nfs/dbraw/zinc/77/91/46/562779146.db2.gz VXNFDAPCMDSUMH-QRIZJJBVSA-N 0 3 710.070 7.053 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000095601245 562779505 /nfs/dbraw/zinc/77/95/05/562779505.db2.gz IMOPPOUSPRBUCB-WTBTXGFSSA-N 0 3 697.799 6.167 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602067 562779916 /nfs/dbraw/zinc/77/99/16/562779916.db2.gz UQRVVYXDOOLUAO-NAJARDBOSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602067 562779917 /nfs/dbraw/zinc/77/99/17/562779917.db2.gz UQRVVYXDOOLUAO-NAJARDBOSA-N 0 3 723.830 6.573 1 0 KKAFHN O=C(Nc1cc(Br)ccc1N1CCN(CCc2cc3ccccc3[nH]2)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602144 562779926 /nfs/dbraw/zinc/77/99/26/562779926.db2.gz YTIUQAJUUIPSNK-HYLXNHFUSA-N 0 3 646.589 7.526 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095603029 562780285 /nfs/dbraw/zinc/78/02/85/562780285.db2.gz UBMFRUBMXOVEAJ-ABGITXETSA-N 0 3 605.779 5.816 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603095 562780370 /nfs/dbraw/zinc/78/03/70/562780370.db2.gz UIKXZKCHSBRXDR-GHVZQYPWSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603095 562780371 /nfs/dbraw/zinc/78/03/71/562780371.db2.gz UIKXZKCHSBRXDR-GHVZQYPWSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095603427 562780567 /nfs/dbraw/zinc/78/05/67/562780567.db2.gz QKQHOPFIEPLIHC-HTWFIQDWSA-N 0 3 689.738 6.914 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603749 562780642 /nfs/dbraw/zinc/78/06/42/562780642.db2.gz QMCFBRPLMVFDBX-FXRKCPOXSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603749 562780643 /nfs/dbraw/zinc/78/06/43/562780643.db2.gz QMCFBRPLMVFDBX-FXRKCPOXSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095605126 562781365 /nfs/dbraw/zinc/78/13/65/562781365.db2.gz DVQUFFYKIBJZKN-WHGPLQJCSA-N 0 3 656.827 7.432 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000095608624 562783608 /nfs/dbraw/zinc/78/36/08/562783608.db2.gz KABZRBRZZFAAPS-SJARJILFSA-N 0 3 785.990 6.575 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000095608734 562783676 /nfs/dbraw/zinc/78/36/76/562783676.db2.gz MYCAJPNVOBAEJS-RWYGWLOXSA-N 0 3 773.935 5.878 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccc(C(F)(F)F)cc3)C(=O)O[C@@]21C ZINC000095609758 562783967 /nfs/dbraw/zinc/78/39/67/562783967.db2.gz DSBMHVCSEMTJFF-JBSIADLXSA-N 0 3 769.899 5.655 1 0 KKAFHN COc1cc(C(=O)N2CCC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095610962 562784705 /nfs/dbraw/zinc/78/47/05/562784705.db2.gz YMHZUQFCCIVBOA-VZUYHUTRSA-N 0 3 787.760 8.715 1 0 KKAFHN CN(C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(C)CC1 ZINC000095613251 562786180 /nfs/dbraw/zinc/78/61/80/562786180.db2.gz PLAKJZALDCQTJA-MGBGTMOVSA-N 0 3 741.307 6.035 1 0 KKAFHN COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000095616641 562787882 /nfs/dbraw/zinc/78/78/82/562787882.db2.gz VGKVZHQKCZMUGO-UHFFFAOYSA-N 0 3 776.975 7.288 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CN(C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2 ZINC000095665481 562788096 /nfs/dbraw/zinc/78/80/96/562788096.db2.gz YZWMPMDITONCIO-DWYUEALBSA-N 0 3 730.904 5.760 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666359 562788264 /nfs/dbraw/zinc/78/82/64/562788264.db2.gz LYMUYLCMDRKWKZ-UGIZIUIESA-N 0 3 601.791 7.002 1 0 KKAFHN COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)CN(CC2CCCCC2)[C@@H]1CO ZINC000095666479 562788290 /nfs/dbraw/zinc/78/82/90/562788290.db2.gz XKHKGEXEYHPOPX-RUZDIDTESA-N 0 3 508.732 5.107 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095838086 562789461 /nfs/dbraw/zinc/78/94/61/562789461.db2.gz IYHPIUZHKVLRCJ-HFZPWKHCSA-N 0 3 541.692 5.054 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095846498 562789497 /nfs/dbraw/zinc/78/94/97/562789497.db2.gz WAZWVLWQIWHNSB-JALBGMRZSA-N 0 3 660.812 5.987 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867098 562789803 /nfs/dbraw/zinc/78/98/03/562789803.db2.gz LYMUYLCMDRKWKZ-HFAAXNRMSA-N 0 3 601.791 7.002 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867043 562789820 /nfs/dbraw/zinc/78/98/20/562789820.db2.gz ZWEDFXZUTGJBMW-DUELTEGESA-N 0 3 593.690 6.354 1 0 KKAFHN Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCCN4CCN(C)CC4)cc3)nc12 ZINC000096167720 562790508 /nfs/dbraw/zinc/79/05/08/562790508.db2.gz BZRIMEVGBJNZTO-UHFFFAOYSA-N 0 3 537.495 6.067 1 0 KKAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(N(C)CCN(C)C)nc3)c3nccnc23)c1Cl ZINC000096173399 562791400 /nfs/dbraw/zinc/79/14/00/562791400.db2.gz KHUYDIMILXQKOP-UHFFFAOYSA-N 0 3 555.466 5.266 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269483 562792978 /nfs/dbraw/zinc/79/29/78/562792978.db2.gz AGEBSSRVIKUYTM-HHHXNRCGSA-N 0 3 656.799 8.179 1 0 KKAFHN CN(C)Cc1ccc(-c2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)cc1 ZINC000096269945 562793085 /nfs/dbraw/zinc/79/30/85/562793085.db2.gz ZLVZGNQVOBOSSF-UHFFFAOYSA-N 0 3 512.629 7.683 1 0 KKAFHN C[C@@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270075 562793138 /nfs/dbraw/zinc/79/31/38/562793138.db2.gz YAJBEERVPURFIL-OAQYLSRUSA-N 0 3 572.637 5.839 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271283 562793794 /nfs/dbraw/zinc/79/37/94/562793794.db2.gz IDYCTSRIESQCJY-UHFFFAOYSA-N 0 3 639.328 10.870 1 0 KKAFHN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1 ZINC000096272783 562794288 /nfs/dbraw/zinc/79/42/88/562794288.db2.gz NBMMGFKSCSDKBQ-UHFFFAOYSA-N 0 3 572.175 6.704 1 0 KKAFHN O=C(CCCCCNc1c2ccccc2nc2c1CCCC2)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000096273398 562794485 /nfs/dbraw/zinc/79/44/85/562794485.db2.gz RIIDMJYSEKXRHA-UHFFFAOYSA-N 0 3 534.729 7.925 1 0 KKAFHN CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C ZINC000096282448 562794644 /nfs/dbraw/zinc/79/46/44/562794644.db2.gz MYQLEVJUCWDMNT-UHFFFAOYSA-N 0 3 532.468 5.917 1 0 KKAFHN C[C@H](c1ccc(Cl)c(Cl)c1)n1c2ccccc2n(C2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285301 562795458 /nfs/dbraw/zinc/79/54/58/562795458.db2.gz FPXHABRAFBDZTO-OAQYLSRUSA-N 0 3 607.586 5.772 1 0 KKAFHN CCCN1C[C@@H](c2ccccc2)N(C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285355 562795524 /nfs/dbraw/zinc/79/55/24/562795524.db2.gz DAQIALJXQJYJBM-BWKNWUBXSA-N 0 3 526.125 5.214 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000096285371 562795571 /nfs/dbraw/zinc/79/55/71/562795571.db2.gz VXUHJSADHJEBBJ-LYZGTLIUSA-N 0 3 567.178 5.531 1 0 KKAFHN Cc1ccccc1[C@H]1CN(C2CCCCC2)C(=O)N1C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285426 562795649 /nfs/dbraw/zinc/79/56/49/562795649.db2.gz MZSUZRLLPGOZDL-RNWIMVQKSA-N 0 3 546.760 5.186 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096285460 562795685 /nfs/dbraw/zinc/79/56/85/562795685.db2.gz WFKZOGGTBBNGQC-LYZGTLIUSA-N 0 3 550.723 5.017 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285532 562795821 /nfs/dbraw/zinc/79/58/21/562795821.db2.gz AZUWGFNMKLGVNC-SIBVEZHUSA-N 0 3 633.518 5.036 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285540 562795836 /nfs/dbraw/zinc/79/58/36/562795836.db2.gz KTHDFFITHWGQIL-IDISGSTGSA-N 0 3 629.555 5.206 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000096302070 562796244 /nfs/dbraw/zinc/79/62/44/562796244.db2.gz ZTZVDDZSGANOSN-KCTCJIHVSA-N 0 3 542.768 5.888 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000096302070 562796245 /nfs/dbraw/zinc/79/62/45/562796245.db2.gz ZTZVDDZSGANOSN-KCTCJIHVSA-N 0 3 542.768 5.888 1 0 KKAFHN O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909811 562799746 /nfs/dbraw/zinc/79/97/46/562799746.db2.gz GWTGUGUODHYXIX-QFIPXVFZSA-N 0 3 531.454 5.434 1 0 KKAFHN O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000096910456 562800004 /nfs/dbraw/zinc/80/00/04/562800004.db2.gz SZYZXWPHGKHZCA-UHFFFAOYSA-N 0 3 684.681 6.117 1 0 KKAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923972 562802164 /nfs/dbraw/zinc/80/21/64/562802164.db2.gz PLLWOIRCBAIRMF-SSEXGKCCSA-N 0 3 567.199 5.532 1 0 KKAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923972 562802165 /nfs/dbraw/zinc/80/21/65/562802165.db2.gz PLLWOIRCBAIRMF-SSEXGKCCSA-N 0 3 567.199 5.532 1 0 KKAFHN CCn1c2ccccc2c2cc(Nc3nc(Nc4ccc5nc(C)cc(N)c5c4)nc(SC)n3)ccc21 ZINC000098084092 562805580 /nfs/dbraw/zinc/80/55/80/562805580.db2.gz NSVLOYUUJBWPHE-UHFFFAOYSA-N 0 3 506.639 6.647 1 0 KKAFHN Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(Br)cn1)C2 ZINC000103228800 562818067 /nfs/dbraw/zinc/81/80/67/562818067.db2.gz PACSMIQKJYSAAX-GGPHIMKMSA-N 0 3 502.283 7.651 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@@H](CCCCC)C1C(=O)OCCc1ccc(N(C)C)cc1 ZINC000100033945 562806260 /nfs/dbraw/zinc/80/62/60/562806260.db2.gz JSKRAXYURWRRRD-JLPMCGNQSA-N 0 3 561.767 6.878 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCC(C)C)[C@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)C1C(=O)OCC(C)C ZINC000100050458 562806423 /nfs/dbraw/zinc/80/64/23/562806423.db2.gz ZQFLGVVZOZAMMA-GAPOMRBKSA-N 0 3 508.615 5.947 1 0 KKAFHN O=S(=O)([N-][C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F ZINC000101132180 562809393 /nfs/dbraw/zinc/80/93/93/562809393.db2.gz HNTIGZIKHBPAFD-BGYRXZFFSA-N 0 3 549.030 5.889 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101143958 562809459 /nfs/dbraw/zinc/80/94/59/562809459.db2.gz IZTNHWMAUPLTML-LAKWIPNFSA-N 0 3 510.037 5.676 1 0 KKAFHN N=C(NO)c1cccc(N2C(=O)N(c3cccc(C(N)C=O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000101370503 562810452 /nfs/dbraw/zinc/81/04/52/562810452.db2.gz RSDCQRDGVPPDHN-VIKGXHKYSA-N 0 3 577.685 5.226 1 0 KKAFHN CN(C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696417 562811928 /nfs/dbraw/zinc/81/19/28/562811928.db2.gz VIZBXKRLYCJXKN-UHFFFAOYSA-N 0 3 500.620 5.605 1 0 KKAFHN Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(F)cc2)cc1 ZINC000103230159 562818157 /nfs/dbraw/zinc/81/81/57/562818157.db2.gz OHKCOQGAJDGEIC-AUEATDLBSA-N 0 3 504.005 7.017 1 0 KKAFHN Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230115 562818163 /nfs/dbraw/zinc/81/81/63/562818163.db2.gz MEIKWAUCZKJDPF-OEJOPCPASA-N 0 3 520.460 7.532 1 0 KKAFHN CN(C)CCNc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1 ZINC000103235681 562818702 /nfs/dbraw/zinc/81/87/02/562818702.db2.gz VKVNPOVQPAJWLH-UHFFFAOYSA-N 0 3 502.594 5.096 1 0 KKAFHN F[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(CC2CCCCC2)CC1 ZINC000103237130 562818975 /nfs/dbraw/zinc/81/89/75/562818975.db2.gz FBWBPFFZPJJSGX-QFIPXVFZSA-N 0 3 565.369 6.856 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccn3)cc2)CC1 ZINC000103240440 562819443 /nfs/dbraw/zinc/81/94/43/562819443.db2.gz BVLCELFVCZYGBZ-UUWRZZSWSA-N 0 3 587.772 5.183 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2(c3cnc(Cl)cc3NC2=O)[C@@H]1c1cccc(Cl)c1F ZINC000103254042 562820620 /nfs/dbraw/zinc/82/06/20/562820620.db2.gz CGCOPBXAGSCZNX-FTEAIBIHSA-N 0 3 614.505 5.024 1 0 KKAFHN O=C(Nc1cnc2[nH]ccc2c1)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263323 562821707 /nfs/dbraw/zinc/82/17/07/562821707.db2.gz XXORIRONIFRBGZ-UHFFFAOYSA-N 0 3 502.018 6.139 1 0 KKAFHN O=C(Nc1cnc(-c2ccccc2)nc1)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263348 562821726 /nfs/dbraw/zinc/82/17/26/562821726.db2.gz DSCYOJJXDIHONL-UHFFFAOYSA-N 0 3 540.067 6.719 1 0 KKAFHN Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265820 562822140 /nfs/dbraw/zinc/82/21/40/562822140.db2.gz IFNNCTFTQBACJL-UHFFFAOYSA-N 0 3 575.635 7.641 1 0 KKAFHN O=c1c(-c2nnc(-c3ccc(Nc4ccccc4)cc3)o2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 ZINC000103289865 562824106 /nfs/dbraw/zinc/82/41/06/562824106.db2.gz DAGZUHVLQROUPP-UHFFFAOYSA-N 0 3 522.584 5.346 1 0 KKAFHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)NCc1ccccc1 ZINC000103298035 562824684 /nfs/dbraw/zinc/82/46/84/562824684.db2.gz RETCJQQQWQAHTD-WEZIJMHWSA-N 0 3 582.708 5.139 1 0 KKAFHN CCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(OC)c3)cc2c1Nc1ccc(N2CC[C@H]([NH3+])C2)nc1 ZINC000114037517 562827083 /nfs/dbraw/zinc/82/70/83/562827083.db2.gz CVTUKVIQVMHDFD-SFHVURJKSA-N 0 3 518.017 5.538 1 0 KKAFHN CC[NH+](CC)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(OC)c4)cc32)CC1 ZINC000114037977 562827219 /nfs/dbraw/zinc/82/72/19/562827219.db2.gz DYIDCYKYUPJJTQ-SZPZYZBQSA-N 0 3 522.089 6.927 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1C(F)(F)F ZINC000114098808 562827585 /nfs/dbraw/zinc/82/75/85/562827585.db2.gz XXEWRUZFINTDJJ-SFHVURJKSA-N 0 3 513.000 5.931 1 0 KKAFHN O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114601373 562828406 /nfs/dbraw/zinc/82/84/06/562828406.db2.gz XTENPQMXIHRLGV-UHFFFAOYSA-N 0 3 508.040 5.383 1 0 KKAFHN CN1CC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CC(C)(C)C7)c4CO)cn(C)c3=O)cc2)C1 ZINC000116053870 562829132 /nfs/dbraw/zinc/82/91/32/562829132.db2.gz CYSHUCFVBCZQQO-UHFFFAOYSA-N 0 3 613.759 5.241 1 0 KKAFHN O=S(=O)([N-]CCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1c(Cl)nc2sccn21 ZINC000117350925 562829772 /nfs/dbraw/zinc/82/97/72/562829772.db2.gz WTRRMIIIWYZWES-QFIPXVFZSA-N 0 3 577.559 5.369 1 0 KKAFHN O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 ZINC000117542784 562829787 /nfs/dbraw/zinc/82/97/87/562829787.db2.gz DQEKCEBMQCYICP-UHFFFAOYSA-N 0 3 522.571 5.817 1 0 KKAFHN COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c3Nc3ccccc3S4)cc2)cc1OC ZINC000135734898 562831030 /nfs/dbraw/zinc/83/10/30/562831030.db2.gz CSLHVZLXSFVZER-UHFFFAOYSA-N 0 3 555.700 6.718 1 0 KKAFHN COc1cc(CN2CCCC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138475593 562831901 /nfs/dbraw/zinc/83/19/01/562831901.db2.gz SVZMTGLYQSIFTP-UHFFFAOYSA-N 0 3 513.520 5.221 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138529327 562832021 /nfs/dbraw/zinc/83/20/21/562832021.db2.gz IPQMMHOXXCGSDM-FDFHNCONSA-N 0 3 571.471 6.298 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(NC(=O)/C=C/CN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000141457201 562833614 /nfs/dbraw/zinc/83/36/14/562833614.db2.gz WIVJEMFJDXIPRD-FNORWQNLSA-N 0 3 575.595 5.918 1 0 KKAFHN Cc1csc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)c1 ZINC000142205491 562834027 /nfs/dbraw/zinc/83/40/27/562834027.db2.gz QUVIJLUFZZROBR-NZQKXSOJSA-N 0 3 525.523 5.320 1 0 KKAFHN Cc1csc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)c1 ZINC000142205706 562834042 /nfs/dbraw/zinc/83/40/42/562834042.db2.gz QUVIJLUFZZROBR-REWPJTCUSA-N 0 3 525.523 5.320 1 0 KKAFHN [NH3+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280484 562834098 /nfs/dbraw/zinc/83/40/98/562834098.db2.gz DPRHDWBFUWCIKZ-SIKLNZKXSA-N 0 3 511.496 5.012 1 0 KKAFHN CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326652 562836145 /nfs/dbraw/zinc/83/61/45/562836145.db2.gz STDFAKVCYZKPQE-ZEQRLZLVSA-N 0 3 527.815 8.587 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)C(C)(C)O3)n1 ZINC000145972121 562837840 /nfs/dbraw/zinc/83/78/40/562837840.db2.gz ROVOEOHUBYJOKE-UHFFFAOYSA-N 0 3 603.573 5.357 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@H]3C)n1 ZINC000145958399 562837844 /nfs/dbraw/zinc/83/78/44/562837844.db2.gz HSIRDEQVAUEWFK-OAHLLOKOSA-N 0 3 604.029 6.207 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145962969 562837868 /nfs/dbraw/zinc/83/78/68/562837868.db2.gz GRZJPVAPKXQOIA-UHFFFAOYSA-N 0 3 573.547 5.132 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146007412 562837969 /nfs/dbraw/zinc/83/79/69/562837969.db2.gz HZMAWNDVYWVYAC-INIZCTEOSA-N 0 3 584.599 5.011 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146046074 562838058 /nfs/dbraw/zinc/83/80/58/562838058.db2.gz ZVALDEJYTUSGEA-OAHLLOKOSA-N 0 3 585.492 5.299 1 0 KKAFHN O=C(Cc1nc2scc(-c3ccc(F)cc3)c2c(N2CCC[C@H]2c2ccccc2)n1)NCCN1CCCC1 ZINC000146393503 562838523 /nfs/dbraw/zinc/83/85/23/562838523.db2.gz PRFYUSGJAFUUSN-VWLOTQADSA-N 0 3 529.685 5.593 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146854394 562838807 /nfs/dbraw/zinc/83/88/07/562838807.db2.gz CQOOBCLBMYGVDE-GDLZYMKVSA-N 0 3 509.654 6.010 1 0 KKAFHN O=C(NC1CCC(O)CC1)[C@@H]1N[C@H](C=C2CCCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000147063382 562839111 /nfs/dbraw/zinc/83/91/11/562839111.db2.gz YKCVEPHDYMRWRN-CTPKDOPXSA-N 0 3 572.508 5.367 1 0 KKAFHN CCCCC(C)(C)C[C@H]1N(C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147070431 562839153 /nfs/dbraw/zinc/83/91/53/562839153.db2.gz ZFLZYDMLKYMRQF-RFHZMROGSA-N 0 3 608.582 5.255 1 0 KKAFHN Cn1cc(CN2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)C2)c2ccccc21 ZINC000147816523 562839708 /nfs/dbraw/zinc/83/97/08/562839708.db2.gz RGTYBJZXIVQKPF-XMMPIXPASA-N 0 3 505.622 5.051 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCF)nc21 ZINC000148332925 562841074 /nfs/dbraw/zinc/84/10/74/562841074.db2.gz BOFICKPACSIRRH-UHFFFAOYSA-N 0 3 611.648 5.291 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@H]3C)n1 ZINC000148437720 562841295 /nfs/dbraw/zinc/84/12/95/562841295.db2.gz CTTGDSKEPYUNTA-QGZVFWFLSA-N 0 3 555.601 5.914 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Sc2ccccc2)n1 ZINC000148457340 562841338 /nfs/dbraw/zinc/84/13/38/562841338.db2.gz POTDGSBFZPVEBO-UHFFFAOYSA-N 0 3 535.567 5.362 1 0 KKAFHN COc1ccccc1CN1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148627140 562841570 /nfs/dbraw/zinc/84/15/70/562841570.db2.gz VKAMGQWMKDQIKE-QHCPKHFHSA-N 0 3 501.067 5.407 1 0 KKAFHN CCCCN1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606215 562847901 /nfs/dbraw/zinc/84/79/01/562847901.db2.gz WOBWACBYJMRKDB-YYFXGUOYSA-N 0 3 674.956 6.416 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000150616939 562848820 /nfs/dbraw/zinc/84/88/20/562848820.db2.gz QWLVQDXAULJUAE-UMHBLLGCSA-N 0 3 708.003 5.437 1 0 KKAFHN CN(C)C[C@@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@H](O)c1ccccc1 ZINC000164752796 562849723 /nfs/dbraw/zinc/84/97/23/562849723.db2.gz FAPXOLFYGWNEHZ-ADLMAVQZSA-N 0 3 640.012 5.936 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CN(C(=O)NC3CCCCC3)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000164797606 562849752 /nfs/dbraw/zinc/84/97/52/562849752.db2.gz DTWGQRJFPSEIOM-KZDQUIMASA-N 0 3 644.619 5.726 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)(F)CC3)nc21 ZINC000165265208 562850035 /nfs/dbraw/zinc/85/00/35/562850035.db2.gz TZRZFMLMIVDMCQ-UHFFFAOYSA-N 0 3 643.665 5.976 1 0 KKAFHN CCc1cnn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12 ZINC000166990161 562850578 /nfs/dbraw/zinc/85/05/78/562850578.db2.gz XNCUFLXRSAOSJW-UHFFFAOYSA-N 0 3 526.648 5.714 1 0 KKAFHN Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167102230 562850682 /nfs/dbraw/zinc/85/06/82/562850682.db2.gz ZIPFRMHEGAPZQI-UHFFFAOYSA-N 0 3 549.589 5.133 1 0 KKAFHN COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12 ZINC000167899761 562851124 /nfs/dbraw/zinc/85/11/24/562851124.db2.gz PPGINRHLMQBZPR-UHFFFAOYSA-N 0 3 592.610 5.216 1 0 KKAFHN O=C(N[C@H]1CC[C@H](NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCCOCC3)c2)CC1)c1cn2cc(F)ccc2n1 ZINC000167987511 562851206 /nfs/dbraw/zinc/85/12/06/562851206.db2.gz ZNOLBJWRZRPJPY-ISILISOKSA-N 0 3 696.755 5.866 1 0 KKAFHN CC(C)c1nc2nc(-c3ccc(CN4CCC(c5cnc6ccccc6n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000168002245 562851234 /nfs/dbraw/zinc/85/12/34/562851234.db2.gz SSPBSQYMLNFOKH-UHFFFAOYSA-N 0 3 539.687 6.905 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCC1 ZINC000169290850 562851829 /nfs/dbraw/zinc/85/18/29/562851829.db2.gz HMYAEJVTRKONJY-FYYLOGMGSA-N 0 3 512.663 5.622 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000169317499 562855961 /nfs/dbraw/zinc/85/59/61/562855961.db2.gz AJUAJKZVPJDBSA-RDGATRHJSA-N 0 3 538.404 6.350 1 0 KKAFHN CCNc1ccc(OC[C@H](O)CN(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317820 562856039 /nfs/dbraw/zinc/85/60/39/562856039.db2.gz IWYTUWMBDRWLJL-SHQCIBLASA-N 0 3 502.577 6.019 1 0 KKAFHN CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@H](O)CNCCNC(=O)Nc1ccccc1 ZINC000169318815 562856115 /nfs/dbraw/zinc/85/61/15/562856115.db2.gz QZGJVUOMYSCIKX-GHUONELISA-N 0 3 543.752 6.603 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321596 562856683 /nfs/dbraw/zinc/85/66/83/562856683.db2.gz GLRLKJSXKDKVCK-UHFFFAOYSA-N 0 3 546.646 6.734 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324405 562857306 /nfs/dbraw/zinc/85/73/06/562857306.db2.gz VYWFOHVIUYHPNN-UHFFFAOYSA-N 0 3 563.746 6.602 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324447 562857339 /nfs/dbraw/zinc/85/73/39/562857339.db2.gz LPEGXXJNGPFEMT-UHFFFAOYSA-N 0 3 661.935 9.333 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324414 562857379 /nfs/dbraw/zinc/85/73/79/562857379.db2.gz SCHQCMNAPKJPQW-UHFFFAOYSA-N 0 3 563.746 6.602 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169325214 562857574 /nfs/dbraw/zinc/85/75/74/562857574.db2.gz ABPFXCIYLKVLDK-UHFFFAOYSA-N 0 3 604.883 10.217 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334284 562859451 /nfs/dbraw/zinc/85/94/51/562859451.db2.gz NEZXOJFFVXIHRV-DEOSSOPVSA-N 0 3 574.993 8.092 1 0 KKAFHN CS(=O)(=O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)cc(N)n2)c1 ZINC000169350861 562862946 /nfs/dbraw/zinc/86/29/46/562862946.db2.gz CLJJNYIYZIHXHN-UHFFFAOYSA-N 0 3 607.639 5.380 1 0 KKAFHN Cc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CC(F)(F)F)c12 ZINC000169686728 562865109 /nfs/dbraw/zinc/86/51/09/562865109.db2.gz DFYLZQYTPNEEKS-ZDUSSCGKSA-N 0 3 525.572 5.426 1 0 KKAFHN CCOC(=O)[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700220 562867590 /nfs/dbraw/zinc/86/75/90/562867590.db2.gz KVGPVCYSGPUFTJ-JDFHOKRYSA-N 0 3 598.578 5.583 1 0 KKAFHN CCOC(=O)[C@@H]1CCC[C@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700222 562867613 /nfs/dbraw/zinc/86/76/13/562867613.db2.gz KVGPVCYSGPUFTJ-NTWACIBNSA-N 0 3 598.578 5.583 1 0 KKAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000169701409 562868073 /nfs/dbraw/zinc/86/80/73/562868073.db2.gz ZGYJDQYOIFAXED-DJJHDAFRSA-N 0 3 580.503 5.442 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702253 562868264 /nfs/dbraw/zinc/86/82/64/562868264.db2.gz VAIAUKCZKJPKFB-GOSISDBHSA-N 0 3 572.113 5.433 1 0 KKAFHN CN1CCC[C@H]1C(=O)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703684 562868875 /nfs/dbraw/zinc/86/88/75/562868875.db2.gz GYLDXHXMWUNLIQ-VWLOTQADSA-N 0 3 523.056 5.045 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@@H]3C)n1 ZINC000169707550 562870038 /nfs/dbraw/zinc/87/00/38/562870038.db2.gz MRDPHEVYJFFGER-MRXNPFEDSA-N 0 3 634.606 5.489 1 0 KKAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC(F)CC3)cc2)c1 ZINC000169711601 562871061 /nfs/dbraw/zinc/87/10/61/562871061.db2.gz KAILGINXZFOZAC-UHFFFAOYSA-N 0 3 589.668 5.618 1 0 KKAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(C(C)C)C3)cc2)c1 ZINC000169711590 562871105 /nfs/dbraw/zinc/87/11/05/562871105.db2.gz GRMVQHHLVHSDLK-UHFFFAOYSA-N 0 3 571.678 5.491 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000195515666 562872117 /nfs/dbraw/zinc/87/21/17/562872117.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 0 3 606.719 6.874 1 0 KKAFHN O=NC=C1C=CN(CCOCCOCCOCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C=C1 ZINC000198272224 562872674 /nfs/dbraw/zinc/87/26/74/562872674.db2.gz IMPXTFJKUCHUSO-UHFFFAOYSA-N 0 3 547.696 5.300 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC([N@@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000203981706 562874195 /nfs/dbraw/zinc/87/41/95/562874195.db2.gz YCMKHGJPSLBGGP-VNXZQDSDSA-N 0 3 550.099 6.306 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC([N@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000203981706 562874196 /nfs/dbraw/zinc/87/41/96/562874196.db2.gz YCMKHGJPSLBGGP-VNXZQDSDSA-N 0 3 550.099 6.306 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(N4CCNCC4)cc3)ncc2C1=O ZINC000206203558 562876414 /nfs/dbraw/zinc/87/64/14/562876414.db2.gz OULJVONSBCUARX-UHFFFAOYSA-N 0 3 601.633 5.412 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)ncc2C1 ZINC000207315860 562876700 /nfs/dbraw/zinc/87/67/00/562876700.db2.gz OOVTWDNYKGHGHW-UHFFFAOYSA-N 0 3 643.714 6.186 1 0 KKAFHN CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000219202631 562877994 /nfs/dbraw/zinc/87/79/94/562877994.db2.gz NHYWUCOSILIYIJ-MFMCTBQISA-N 0 3 654.755 5.027 1 0 KKAFHN CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](COC)c1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000219217761 562877998 /nfs/dbraw/zinc/87/79/98/562877998.db2.gz NRFXMHZRXOAGNB-LHHUKBANSA-N 0 3 698.808 5.214 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000219859723 562878295 /nfs/dbraw/zinc/87/82/95/562878295.db2.gz RPNAFEOUPITPAI-UHFFFAOYSA-N 0 3 530.028 5.410 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4cc(Cl)ccc4nc4c3CCCC4)cc12 ZINC000221458176 562879004 /nfs/dbraw/zinc/87/90/04/562879004.db2.gz XVXDTYXMYWAMAF-UHFFFAOYSA-N 0 3 632.249 8.248 1 0 KKAFHN Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CCN(C)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224073318 562880265 /nfs/dbraw/zinc/88/02/65/562880265.db2.gz BIIFEKIGTUMZNZ-SANMLTNESA-N 0 3 515.460 6.777 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101102 562880373 /nfs/dbraw/zinc/88/03/73/562880373.db2.gz ILSKQZCULNKRSM-GZGVDWRWSA-N 0 3 637.583 7.201 1 0 KKAFHN CC(C)(C)c1ccc(CC2(N3CCc4cc(S(=O)(=O)Nc5ccc(CCCC6CCCC6)cc5F)ccc4C3)CC2)cc1 ZINC000224830347 562880547 /nfs/dbraw/zinc/88/05/47/562880547.db2.gz ABLJJGMUTNKNPJ-UHFFFAOYSA-N 0 3 602.860 8.570 1 0 KKAFHN O=C(CN(CC(=O)N1CCc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCCN1CCCC1 ZINC000299825876 562883704 /nfs/dbraw/zinc/88/37/04/562883704.db2.gz CPRLQCFXIZYENZ-UHFFFAOYSA-N 0 3 581.544 5.389 1 0 KKAFHN CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN1CCCCC1 ZINC000299828137 562884322 /nfs/dbraw/zinc/88/43/22/562884322.db2.gz GYFJBUOSPWKVQK-GATIEOLUSA-N 0 3 591.087 7.199 1 0 KKAFHN COc1cc2cc(C(=O)NCCCCCCCNc3c4ccccc4nc4c3CCCC4)c(=O)oc2cc1OC ZINC000299828237 562884410 /nfs/dbraw/zinc/88/44/10/562884410.db2.gz HRGZWMLUBWDBQP-UHFFFAOYSA-N 0 3 543.664 6.030 1 0 KKAFHN CN1CCN(CCCn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c3cc(C(C)(C)C)ccc32)CC1 ZINC000299828749 562884591 /nfs/dbraw/zinc/88/45/91/562884591.db2.gz HEHOAGIEPHGJOX-UHFFFAOYSA-N 0 3 516.730 5.486 1 0 KKAFHN O=C(NCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299830020 562885056 /nfs/dbraw/zinc/88/50/56/562885056.db2.gz NOBALTDRZBHVTJ-UHFFFAOYSA-N 0 3 610.589 8.226 1 0 KKAFHN O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c2ccccc2n2c1OCCC2 ZINC000299832993 562886082 /nfs/dbraw/zinc/88/60/82/562886082.db2.gz XUPHTNWKWIXJKN-UHFFFAOYSA-N 0 3 564.752 5.140 1 0 KKAFHN Cc1nc(C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299836692 562887306 /nfs/dbraw/zinc/88/73/06/562887306.db2.gz OOCKQJHRJFDPCK-UHFFFAOYSA-N 0 3 505.666 6.854 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OC(=O)N(c1ccccc1)c1ccccc1 ZINC000299836929 562887332 /nfs/dbraw/zinc/88/73/32/562887332.db2.gz IQLNONBUDYECME-UHFFFAOYSA-N 0 3 510.899 7.948 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000299837915 562887693 /nfs/dbraw/zinc/88/76/93/562887693.db2.gz SPJCDWMOZIAYNB-HKBQPEDESA-N 0 3 583.777 6.819 1 0 KKAFHN CN1CCC(Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)c(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000299838765 562887942 /nfs/dbraw/zinc/88/79/42/562887942.db2.gz NVENMWBWULUYAU-UHFFFAOYSA-N 0 3 516.991 6.471 1 0 KKAFHN O=C(NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000299838888 562887985 /nfs/dbraw/zinc/88/79/85/562887985.db2.gz WKAJCZZPMZGMDI-UHFFFAOYSA-N 0 3 585.727 8.352 1 0 KKAFHN CCCCc1oc2cc(O)ccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000299854132 562891274 /nfs/dbraw/zinc/89/12/74/562891274.db2.gz USKDQTOYCBMKTR-UHFFFAOYSA-N 0 3 661.318 6.642 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299860809 562893015 /nfs/dbraw/zinc/89/30/15/562893015.db2.gz HELQVBTZKVKAPS-DHUJRADRSA-N 0 3 557.779 7.397 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299860805 562893023 /nfs/dbraw/zinc/89/30/23/562893023.db2.gz HEGWZHATVPIKRD-DIPNUNPCSA-N 0 3 585.833 8.177 1 0 KKAFHN COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299862840 562893695 /nfs/dbraw/zinc/89/36/95/562893695.db2.gz KCGNECXNOLZZEK-DHUJRADRSA-N 0 3 705.812 5.588 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299864374 562894107 /nfs/dbraw/zinc/89/41/07/562894107.db2.gz MIKYLDUBUPGRFI-UHFFFAOYSA-N 0 3 587.765 5.483 1 0 KKAFHN CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000299865626 562894467 /nfs/dbraw/zinc/89/44/67/562894467.db2.gz NZMYEIYLBPEZBC-XIFFEERXSA-N 0 3 558.811 5.849 1 0 KKAFHN COc1cc2oc(-c3cccc(OCC(=O)NCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299867056 562894763 /nfs/dbraw/zinc/89/47/63/562894763.db2.gz PTARNCBWLXCSJW-UHFFFAOYSA-N 0 3 686.205 7.344 1 0 KKAFHN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCCN2CCN(C)CC2)COC1=O ZINC000473088007 562897276 /nfs/dbraw/zinc/89/72/76/562897276.db2.gz NERAJBVOCIYHON-NPQFCROMSA-N 0 3 750.886 5.661 1 0 KKAFHN COc1cc2oc(-c3cccc(OCCCN4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112686 562898713 /nfs/dbraw/zinc/89/87/13/562898713.db2.gz GAWXAFIVBQBBPY-UHFFFAOYSA-N 0 3 544.648 5.073 1 0 KKAFHN CC[N@H+](CCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1)Cc1ccccc1OC ZINC000473114982 562898978 /nfs/dbraw/zinc/89/89/78/562898978.db2.gz QBYCNPOCPXMJCE-UHFFFAOYSA-N 0 3 533.621 5.873 1 0 KKAFHN CC[N@@H+](CCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1)Cc1ccccc1OC ZINC000473114982 562898979 /nfs/dbraw/zinc/89/89/79/562898979.db2.gz QBYCNPOCPXMJCE-UHFFFAOYSA-N 0 3 533.621 5.873 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc1)CC2 ZINC000473136635 562901071 /nfs/dbraw/zinc/90/10/71/562901071.db2.gz TWNDUKAXRORGCW-UHFFFAOYSA-N 0 3 711.862 6.141 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152451 562901832 /nfs/dbraw/zinc/90/18/32/562901832.db2.gz UHRMTCOEBUUBLY-MGBGTMOVSA-N 0 3 545.724 5.657 1 0 KKAFHN COc1cc(-c2cc3c(cc2F)ncc(C(C)=O)c3N[C@H]2CC[C@H](C[NH+]3CCCC3)CC2)cc(Cl)c1[O-] ZINC000473198588 562903755 /nfs/dbraw/zinc/90/37/55/562903755.db2.gz QEKHQLLMSQMPBH-KESTWPANSA-N 0 3 526.052 6.100 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H]([NH+]5CCCC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473200915 562903829 /nfs/dbraw/zinc/90/38/29/562903829.db2.gz KVYXBFBBJZWCIX-HZCBDIJESA-N 0 3 520.073 6.103 1 0 KKAFHN CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000473220502 562904103 /nfs/dbraw/zinc/90/41/03/562904103.db2.gz HRFIDHIKBHCVPR-FRPUQLTBSA-N 0 3 793.300 6.146 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653710179 562908084 /nfs/dbraw/zinc/90/80/84/562908084.db2.gz DJLPRTJGYZFRAF-UHFFFAOYSA-N 0 3 615.578 7.961 1 0 KKAFHN CCCCCCN(CCCCCC)CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000653721789 562908773 /nfs/dbraw/zinc/90/87/73/562908773.db2.gz YKSJVVHQOXOPHA-GDLZYMKVSA-N 0 3 583.695 7.952 1 0 KKAFHN CCN(CCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653737777 562909899 /nfs/dbraw/zinc/90/98/99/562909899.db2.gz XZVHAKZSJNIPNI-VAWYXSNFSA-N 0 3 518.654 5.290 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653745740 562910364 /nfs/dbraw/zinc/91/03/64/562910364.db2.gz PHYASQQLYQAEBU-UHFFFAOYSA-N 0 3 722.217 7.401 1 0 KKAFHN Cc1cc(C(=O)N(Cc2ccc(C[NH+]3CCCC3)cc2)c2ccc(-c3nc(Cl)ncc3C)cc2)c([O-])cc1O ZINC000653757331 562911087 /nfs/dbraw/zinc/91/10/87/562911087.db2.gz CVXQZBJOFWXPPN-UHFFFAOYSA-N 0 3 543.067 6.268 1 0 KKAFHN CCCNC(=O)C1CCN(C(=O)c2cc3sc(CNCc4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653779601 562912042 /nfs/dbraw/zinc/91/20/42/562912042.db2.gz DRATYLUCZOLILT-UHFFFAOYSA-N 0 3 558.748 5.428 1 0 KKAFHN CCCNC(=O)C1CCN(C(=O)c2c(CN[C@H](C)c3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786099 562912417 /nfs/dbraw/zinc/91/24/17/562912417.db2.gz SHJNFTLAWBDTQH-HSZRJFAPSA-N 0 3 572.775 5.989 1 0 KKAFHN CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(CN)cn2)CC1 ZINC000653842143 562914939 /nfs/dbraw/zinc/91/49/39/562914939.db2.gz QXJVCBGQTLZWKX-NSJVFKKDSA-N 0 3 693.689 6.265 1 0 KKAFHN O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000653845382 562915164 /nfs/dbraw/zinc/91/51/64/562915164.db2.gz IGAPVWITXJPENZ-QNGWXLTQSA-N 0 3 610.798 6.852 1 0 KKAFHN C[C@@H]1CCc2c(nc3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3nc3c2CC[C@@H](C)C3)C1 ZINC000653865330 562916192 /nfs/dbraw/zinc/91/61/92/562916192.db2.gz ICGFWVINGGGKCV-FGZHOGPDSA-N 0 3 575.628 8.268 1 0 KKAFHN CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000653884669 562916945 /nfs/dbraw/zinc/91/69/45/562916945.db2.gz VTNSVHHPVOOYNB-AJQTZOPKSA-N 0 3 549.715 6.017 1 0 KKAFHN C[C@@H]1CCc2nc3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4nc4c3C[C@H](C)CC4)c2C1 ZINC000653907642 562917658 /nfs/dbraw/zinc/91/76/58/562917658.db2.gz WFTOWPHCMOXYKS-FGZHOGPDSA-N 0 3 575.628 8.268 1 0 KKAFHN CN(C)CCOc1ncc(Nc2cc(N3CC[C@H](c4ccccc4Cl)C3)nc3cc(F)c(F)cc32)cc1F ZINC000653915591 562917839 /nfs/dbraw/zinc/91/78/39/562917839.db2.gz AZLINZKGCNELEI-KRWDZBQOSA-N 0 3 542.005 6.378 1 0 KKAFHN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@H](C)N6)c(c2-5)[C@H](O)N4)cc(OCCCO)c1O ZINC000085567450 565142229 /nfs/dbraw/zinc/14/22/29/565142229.db2.gz AUFONOURVOYWHL-ZKHLHWMUSA-N 0 3 686.802 5.375 1 0 biogenic,in-vitro KKAFHN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@H](C)N6)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567464 565142318 /nfs/dbraw/zinc/14/23/18/565142318.db2.gz DRCYMCJSURYDEV-SUGBAUCOSA-N 0 3 642.749 5.623 1 0 biogenic,in-vitro KKAFHN CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC3CCCCC3)c2)c1 ZINC000085632235 565165888 /nfs/dbraw/zinc/16/58/88/565165888.db2.gz PZGGPJZHPWUWGJ-RJISLUCMSA-N 0 3 655.812 6.105 1 0 biogenic,in-vitro KKAFHN COc1cc2ccc1Oc1cc3c(cc1OC)CCN(C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085900422 565170441 /nfs/dbraw/zinc/17/04/41/565170441.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 0 3 622.762 7.162 1 0 biogenic,in-vitro KKAFHN COc1cc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000001488363 561676217 /nfs/dbraw/zinc/67/62/17/561676217.db2.gz JHKGSUZURKZFET-UHFFFAOYSA-N 0 3 570.693 6.686 1 0 KKAFHN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000003786133 561682333 /nfs/dbraw/zinc/68/23/33/561682333.db2.gz XHNPKKNIQBKPHA-GMQQYTKMSA-N 0 3 525.577 8.068 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000003929649 561687065 /nfs/dbraw/zinc/68/70/65/561687065.db2.gz IVEDLBLTDDBGQI-RUZDIDTESA-N 0 3 577.810 7.580 1 0 KKAFHN CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000003938812 561688903 /nfs/dbraw/zinc/68/89/03/561688903.db2.gz JYCLPXSCZKCIMO-YEFUCVGBSA-N 0 3 569.598 7.301 1 0 KKAFHN CCC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425228 561695047 /nfs/dbraw/zinc/69/50/47/561695047.db2.gz VNUCNKCATYSOBV-XMMPIXPASA-N 0 3 532.493 6.229 1 0 KKAFHN O=c1c(-c2ccccc2)c(SCCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000005582808 561697301 /nfs/dbraw/zinc/69/73/01/561697301.db2.gz COAUCWCVXCNCHR-UHFFFAOYSA-N 0 3 625.263 7.982 1 0 KKAFHN COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC ZINC000006716053 561702932 /nfs/dbraw/zinc/70/29/32/561702932.db2.gz LKRNZKIENIKMKS-SFHVURJKSA-N 0 3 562.026 6.451 1 0 KKAFHN Cc1ccc(-n2ncc(C(=O)NCCCN3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597791 561706219 /nfs/dbraw/zinc/70/62/19/561706219.db2.gz BXFWXAHHGFPRIK-UHFFFAOYSA-N 0 3 571.766 5.782 1 0 KKAFHN CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc21 ZINC000008689934 561707653 /nfs/dbraw/zinc/70/76/53/561707653.db2.gz RIEFGETUVZRVBO-JCLYDOAMSA-N 0 3 595.653 8.034 1 0 KKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000008693913 561708182 /nfs/dbraw/zinc/70/81/82/561708182.db2.gz RCRMFTXYFLYPIV-UHFFFAOYSA-N 0 3 552.018 5.554 3 0 KKAFHN CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000013440382 561712467 /nfs/dbraw/zinc/71/24/67/561712467.db2.gz LSOHVGBWXSGCMC-UHFFFAOYSA-N 0 3 518.723 5.581 1 0 KKAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CN(C)Cc3ccccc3)c2=O)c1 ZINC000013553290 561718272 /nfs/dbraw/zinc/71/82/72/561718272.db2.gz XDMMCTICBNVRHD-FQEVSTJZSA-N 0 3 519.592 5.014 1 0 KKAFHN CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013559604 561719569 /nfs/dbraw/zinc/71/95/69/561719569.db2.gz KUPDICLCUUMCDF-UHFFFAOYSA-N 0 3 517.473 6.589 1 0 KKAFHN O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588392 561720990 /nfs/dbraw/zinc/72/09/90/561720990.db2.gz JQFIBEBVODCPDV-WJOKGBTCSA-N 0 3 515.697 7.947 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000013643405 561722339 /nfs/dbraw/zinc/72/23/39/561722339.db2.gz OJUQZWAQJCEVIB-UHFFFAOYSA-N 0 3 518.872 6.310 1 0 KKAFHN CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781683 561729440 /nfs/dbraw/zinc/72/94/40/561729440.db2.gz TUGILCFBIODMPH-MHZLTWQESA-N 0 3 512.716 5.812 1 0 KKAFHN O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 ZINC000013806862 561731493 /nfs/dbraw/zinc/73/14/93/561731493.db2.gz RZYITGJRSITIGE-DEOSSOPVSA-N 0 3 520.504 6.192 1 0 KKAFHN O=C(CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000013820577 561732612 /nfs/dbraw/zinc/73/26/12/561732612.db2.gz WCFIHELNALCPDD-UHFFFAOYSA-N 0 3 505.584 5.997 1 0 KKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2cc(Cl)ccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820100 561732627 /nfs/dbraw/zinc/73/26/27/561732627.db2.gz NSITXENFFTWYLM-MUXSNRJPSA-N 0 3 516.126 6.151 1 0 KKAFHN CSc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834309 561734075 /nfs/dbraw/zinc/73/40/75/561734075.db2.gz ULMSNOSBZQNIKK-UHFFFAOYSA-N 0 3 503.689 7.092 1 0 KKAFHN CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1 ZINC000013862486 561734756 /nfs/dbraw/zinc/73/47/56/561734756.db2.gz IWFUKLIMSBWEIS-UHFFFAOYSA-N 0 3 520.076 7.854 1 0 KKAFHN CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000014141246 561737080 /nfs/dbraw/zinc/73/70/80/561737080.db2.gz VTTUVOLMPNOBRT-LDLOPFEMSA-N 0 3 612.774 6.583 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3[C@@H]2N)CC1 ZINC000014209902 561737768 /nfs/dbraw/zinc/73/77/68/561737768.db2.gz IFDBWKFSUPQKCA-OLUZHXLYSA-N 0 3 621.266 5.734 1 0 KKAFHN CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 ZINC000014945057 561742885 /nfs/dbraw/zinc/74/28/85/561742885.db2.gz FUAWEXVTNBAJGV-UHFFFAOYSA-N 0 3 573.090 5.538 1 0 KKAFHN CN(C)Cc1ccccc1-c1ccc(-c2c[nH]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1 ZINC000014951308 561745993 /nfs/dbraw/zinc/74/59/93/561745993.db2.gz MHUDSSWPYCLMLR-UHFFFAOYSA-N 0 3 544.537 6.264 1 0 KKAFHN CC(C)Oc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953509 561746572 /nfs/dbraw/zinc/74/65/72/561746572.db2.gz OCXDHMHFDLCZGZ-UHFFFAOYSA-N 0 3 542.507 6.444 1 0 KKAFHN COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Cl ZINC000014953541 561746611 /nfs/dbraw/zinc/74/66/11/561746611.db2.gz VPVZSERFJANUOF-UHFFFAOYSA-N 0 3 548.898 6.318 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959710 561748263 /nfs/dbraw/zinc/74/82/63/561748263.db2.gz RASORPKPULRQAN-UHFFFAOYSA-N 0 3 532.069 6.101 1 0 KKAFHN CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC ZINC000014963685 561749165 /nfs/dbraw/zinc/74/91/65/561749165.db2.gz FWTSOYMNLPZPPX-UHFFFAOYSA-N 0 3 567.970 7.212 1 0 KKAFHN c1cn(CCCNc2ccnc3oc(-c4ccc(OCCN5CCCCC5)cc4)c(-c4ccccc4)c32)cn1 ZINC000014965397 561749651 /nfs/dbraw/zinc/74/96/51/561749651.db2.gz JZVXAFREQFUEDW-UHFFFAOYSA-N 0 3 521.665 6.725 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000014970378 561750942 /nfs/dbraw/zinc/75/09/42/561750942.db2.gz RJPIWPXFPIJADI-SSEXGKCCSA-N 0 3 575.717 5.220 1 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000017545676 561755866 /nfs/dbraw/zinc/75/58/66/561755866.db2.gz RUDOVWVZIBYLAA-HKBQPEDESA-N 0 3 597.800 6.953 3 0 KKAFHN COc1ccc([C@@H](CCN2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000017545688 561755891 /nfs/dbraw/zinc/75/58/91/561755891.db2.gz IFPCQGFXMAXFBA-SSEXGKCCSA-N 0 3 590.720 6.830 3 0 KKAFHN COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545809 561756021 /nfs/dbraw/zinc/75/60/21/561756021.db2.gz SCRRLRZNYGLGNP-LQJZCPKCSA-N 0 3 635.805 6.564 3 0 KKAFHN COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545815 561756117 /nfs/dbraw/zinc/75/61/17/561756117.db2.gz SCRRLRZNYGLGNP-SAIUNTKASA-N 0 3 635.805 6.564 3 0 KKAFHN COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655087 561757979 /nfs/dbraw/zinc/75/79/79/561757979.db2.gz ZDBKWMSLDSBPEF-IZZNHLLZSA-N 0 3 604.744 5.854 1 0 KKAFHN COc1ccc([C@H]2C=CCN(CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018182084 561758168 /nfs/dbraw/zinc/75/81/68/561758168.db2.gz PMFCRKQEBIMFMP-SAIUNTKASA-N 0 3 526.696 6.968 1 0 KKAFHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000021986370 561758819 /nfs/dbraw/zinc/75/88/19/561758819.db2.gz NZEHVFLXVPQUHX-UHFFFAOYSA-N 0 3 523.973 7.533 1 0 KKAFHN O=C(CCCN1CCN(C/C=C/c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940051 561760809 /nfs/dbraw/zinc/76/08/09/561760809.db2.gz XEDCDXNHPOXCNC-CUXWIDLWSA-N 0 3 503.756 5.867 1 0 KKAFHN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCN(C(C)C)CC1)c1ccccc1 ZINC000022941794 561761062 /nfs/dbraw/zinc/76/10/62/561761062.db2.gz IUHUKZRXWQPIFE-LJAQVGFWSA-N 0 3 506.694 6.309 1 0 KKAFHN COc1ccccc1[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000022940866 561761095 /nfs/dbraw/zinc/76/10/95/561761095.db2.gz PSQJTKUPFCWUEO-VWLOTQADSA-N 0 3 504.502 5.352 1 0 KKAFHN CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 ZINC000023249191 561761411 /nfs/dbraw/zinc/76/14/11/561761411.db2.gz RBLCKVWSBGCRJN-SAIUNTKASA-N 0 3 616.181 5.596 1 0 KKAFHN COc1ccccc1NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000023357775 561761527 /nfs/dbraw/zinc/76/15/27/561761527.db2.gz DFSRCPBSJAXTNU-UHFFFAOYSA-N 0 3 595.535 5.701 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 ZINC000026009475 561765742 /nfs/dbraw/zinc/76/57/42/561765742.db2.gz UTZKWISWBRTAEP-UHFFFAOYSA-N 0 3 640.747 7.040 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008143 561765754 /nfs/dbraw/zinc/76/57/54/561765754.db2.gz GCGPDMHRIZLRII-UHFFFAOYSA-N 0 3 607.195 6.674 1 0 KKAFHN CN(C)Cc1oc2ccccc2c1C[C@@](C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 ZINC000026153008 561767978 /nfs/dbraw/zinc/76/79/78/561767978.db2.gz BUEBEWBKGTZUAF-GKPFONBGSA-N 0 3 557.735 5.705 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160946 561768581 /nfs/dbraw/zinc/76/85/81/561768581.db2.gz XOLUMIJQZDSNAE-URXFXBBRSA-N 0 3 504.652 5.097 1 0 KKAFHN C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026166003 561769226 /nfs/dbraw/zinc/76/92/26/561769226.db2.gz YVJCKFKMZVODMS-YKSBVNFPSA-N 0 3 512.597 6.099 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166953 561769306 /nfs/dbraw/zinc/76/93/06/561769306.db2.gz RSPWHGICVNMFPG-URXFXBBRSA-N 0 3 504.652 5.097 1 0 KKAFHN CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2Cl)cc1 ZINC000026183077 561772017 /nfs/dbraw/zinc/77/20/17/561772017.db2.gz WYTZVAKESSXSGN-MKPDMIMOSA-N 0 3 501.070 6.727 1 0 KKAFHN CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)cc1 ZINC000026248023 561773635 /nfs/dbraw/zinc/77/36/35/561773635.db2.gz WETZQYWACQZUCR-ISILISOKSA-N 0 3 508.662 6.526 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CCCc1ccccc1 ZINC000026262343 561775742 /nfs/dbraw/zinc/77/57/42/561775742.db2.gz MNFBAYCPPKGRMJ-ACHIHNKUSA-N 0 3 585.789 5.827 1 0 KKAFHN CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295410 561781343 /nfs/dbraw/zinc/78/13/43/561781343.db2.gz ZABNQKMXHNVFGT-IFZVWTTESA-N 0 3 726.959 5.639 1 0 KKAFHN COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCCN3CCCC3)cc2)ccc1Cn1cccn1 ZINC000026388387 561785057 /nfs/dbraw/zinc/78/50/57/561785057.db2.gz WIGAASFXSQDZFN-UHFFFAOYSA-N 0 3 523.637 5.185 1 0 KKAFHN O=C(NCCCN(CCNC(=O)OCc1ccccc1)CCc1c[nH]c2ccccc12)OCc1ccccc1 ZINC000026394022 561786391 /nfs/dbraw/zinc/78/63/91/561786391.db2.gz VLVOHAQIIPYBRK-UHFFFAOYSA-N 0 3 528.653 5.255 1 0 KKAFHN CCOC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500798 561795430 /nfs/dbraw/zinc/79/54/30/561795430.db2.gz WMHAPICIKIEXDX-GDLZYMKVSA-N 0 3 569.812 5.984 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026494291 561794010 /nfs/dbraw/zinc/79/40/10/561794010.db2.gz KWILXWLMEXXFLT-MUUNZHRXSA-N 0 3 598.209 6.258 1 0 KKAFHN CCCN(C(=O)Cc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500381 561795344 /nfs/dbraw/zinc/79/53/44/561795344.db2.gz LQKUTPDIDRQGMQ-PMERELPUSA-N 0 3 561.792 5.427 1 0 KKAFHN Cc1cccc(CCN[C@H](C)c2cccc(COc3nn4c(nnc4C(F)(F)F)c4ccccc43)n2)c1 ZINC000026502739 561795880 /nfs/dbraw/zinc/79/58/80/561795880.db2.gz BNFDLMAILPXQNE-GOSISDBHSA-N 0 3 506.532 5.472 1 0 KKAFHN C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026504040 561796166 /nfs/dbraw/zinc/79/61/66/561796166.db2.gz SEPRFJGTZLHOFO-INIZCTEOSA-N 0 3 571.401 5.926 1 0 KKAFHN c1nn(-c2ccccc2)c2ncnc(N3CCN([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)c12 ZINC000026505658 561796591 /nfs/dbraw/zinc/79/65/91/561796591.db2.gz BLWAOIOYJZOAMQ-YTTGMZPUSA-N 0 3 522.656 6.394 1 0 KKAFHN CC(C)N(CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1)C(C)C ZINC000026577221 561801248 /nfs/dbraw/zinc/80/12/48/561801248.db2.gz UQBZLKNWXDPGDG-UHFFFAOYSA-N 0 3 715.339 7.467 1 0 KKAFHN COc1cc(NCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)c(Cl)cc1C(=O)OCCN1CCCCC1 ZINC000026579466 561804702 /nfs/dbraw/zinc/80/47/02/561804702.db2.gz HCVUTCPGHVIMAD-UHFFFAOYSA-N 0 3 645.266 6.161 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000026579511 561804821 /nfs/dbraw/zinc/80/48/21/561804821.db2.gz NJTRIIAWECXRRV-MGPFPDDXSA-N 0 3 569.598 6.323 1 0 KKAFHN C[C@H](N)C(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000026580141 561805593 /nfs/dbraw/zinc/80/55/93/561805593.db2.gz QBDQYYQDOAPAPB-CBZJRKILSA-N 0 3 666.886 5.705 1 0 KKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000026663246 561810639 /nfs/dbraw/zinc/81/06/39/561810639.db2.gz BADTXYGFGWBMDW-UKILVPOCSA-N 0 3 544.910 5.929 1 0 KKAFHN CN(C)C(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026667240 561811422 /nfs/dbraw/zinc/81/14/22/561811422.db2.gz KQIVABWZJYITON-XMGMBJFZSA-N 0 3 678.726 7.711 1 0 KKAFHN O=C1N(CCN2CCN([C@@H]3C[C@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668414 561811801 /nfs/dbraw/zinc/81/18/01/561811801.db2.gz IYXNMOCEVXJKKO-XRKRLSELSA-N 0 3 519.064 5.616 1 0 KKAFHN COc1ccc(CNCc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)cc1 ZINC000026673355 561813119 /nfs/dbraw/zinc/81/31/19/561813119.db2.gz BNVVVBACQMXBRV-UHFFFAOYSA-N 0 3 544.099 6.355 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CNCc2ccc(C(F)(F)F)cc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026673352 561813134 /nfs/dbraw/zinc/81/31/34/561813134.db2.gz HTUOQHKWGZYQEG-UHFFFAOYSA-N 0 3 582.070 7.365 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCN(Cc3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719278 561814825 /nfs/dbraw/zinc/81/48/25/561814825.db2.gz BWVHTTUKGXRDOK-UHFFFAOYSA-N 0 3 583.180 6.374 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026724925 561815764 /nfs/dbraw/zinc/81/57/64/561815764.db2.gz ADZSGFZICHOKOJ-KDXMTYKHSA-N 0 3 668.835 5.868 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026729417 561816504 /nfs/dbraw/zinc/81/65/04/561816504.db2.gz BXJRBGNXZAKXLL-FLQNDTOOSA-N 0 3 517.629 5.138 1 0 KKAFHN OC1(CCCc2ccc(Cc3nnn[n-]3)cc2)CCN(C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821337 /nfs/dbraw/zinc/82/13/37/561821337.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 0 3 556.799 5.236 1 0 KKAFHN OC1(CCCc2ccc(Cc3nnn[n-]3)cc2)CCN(C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821338 /nfs/dbraw/zinc/82/13/38/561821338.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 0 3 556.799 5.236 1 0 KKAFHN OC1(CCCc2ccc(Cc3nn[n-]n3)cc2)CCN(C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821341 /nfs/dbraw/zinc/82/13/41/561821341.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 0 3 556.799 5.236 1 0 KKAFHN OC1(CCCc2ccc(Cc3nn[n-]n3)cc2)CCN(C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821342 /nfs/dbraw/zinc/82/13/42/561821342.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 0 3 556.799 5.236 1 0 KKAFHN O=C1CC2(CCN(CC[C@H](CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833529 561823539 /nfs/dbraw/zinc/82/35/39/561823539.db2.gz MGIDXWHXFOXZPR-FUFSCUOVSA-N 0 3 542.079 5.727 1 0 KKAFHN O=C1CC2(CCN(CC[C@@H](CN3C(=O)N[C@@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026835396 561824113 /nfs/dbraw/zinc/82/41/13/561824113.db2.gz MGIDXWHXFOXZPR-OUTSHDOLSA-N 0 3 542.079 5.727 1 0 KKAFHN CN(CCCN1C(=S)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026836380 561824465 /nfs/dbraw/zinc/82/44/65/561824465.db2.gz UMIAUEYAPOVSMU-MUUNZHRXSA-N 0 3 558.810 6.492 1 0 KKAFHN CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCCN(CCO)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000026841927 561825846 /nfs/dbraw/zinc/82/58/46/561825846.db2.gz JROGEIVTQALTED-LJAQVGFWSA-N 0 3 572.768 5.053 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026843052 561826148 /nfs/dbraw/zinc/82/61/48/561826148.db2.gz UYRIKGJBKKNPSC-XQJOSWFISA-N 0 3 656.227 6.581 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026956094 561829222 /nfs/dbraw/zinc/82/92/22/561829222.db2.gz FJGKVFWXFGAENH-PXDATVDWSA-N 0 3 559.585 5.799 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026956106 561829241 /nfs/dbraw/zinc/82/92/41/561829241.db2.gz FJGKVFWXFGAENH-SQJMNOBHSA-N 0 3 559.585 5.799 1 0 KKAFHN C[C@H](N)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027182906 561842004 /nfs/dbraw/zinc/84/20/04/561842004.db2.gz IGUYTIRBNXFBHY-QHCPKHFHSA-N 0 3 665.766 6.125 1 0 KKAFHN Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1 ZINC000027197088 561844490 /nfs/dbraw/zinc/84/44/90/561844490.db2.gz CVJJKAXDDGZLEP-LITSAYRRSA-N 0 3 583.818 5.558 1 0 KKAFHN O=C(CCc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1)NCC1CCN(c2ccncc2)CC1 ZINC000027209181 561846640 /nfs/dbraw/zinc/84/66/40/561846640.db2.gz XGOHRXQNQVENKV-UHFFFAOYSA-N 0 3 524.488 5.414 1 0 KKAFHN O=C(CCc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2ccncc2)CC1 ZINC000027209181 561846641 /nfs/dbraw/zinc/84/66/41/561846641.db2.gz XGOHRXQNQVENKV-UHFFFAOYSA-N 0 3 524.488 5.414 1 0 KKAFHN COc1cc(OCCN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430743 561859238 /nfs/dbraw/zinc/85/92/38/561859238.db2.gz LGXYJZXPHICFLX-PMERELPUSA-N 0 3 588.811 5.988 1 0 KKAFHN C[C@@H](c1ccc(I)cc1)N1CCN(C2CCN(C(=O)c3c(F)cccc3I)CC2)C[C@@H]1C ZINC000027517442 561861189 /nfs/dbraw/zinc/86/11/89/561861189.db2.gz JXAPPEREGABNTD-ROUUACIJSA-N 0 3 661.341 5.407 1 0 KKAFHN CN(C[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517801 561861593 /nfs/dbraw/zinc/86/15/93/561861593.db2.gz BECWCZRLWGOCHQ-SANMLTNESA-N 0 3 555.607 6.417 1 0 KKAFHN Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027518916 561862779 /nfs/dbraw/zinc/86/27/79/561862779.db2.gz KUOUHUKIBBTXEV-PXNSSMCTSA-N 0 3 571.610 5.893 1 0 KKAFHN Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)N2CCCCC2)CC1 ZINC000027527282 561866808 /nfs/dbraw/zinc/86/68/08/561866808.db2.gz QMADDIHSCBGERQ-UHFFFAOYSA-N 0 3 523.121 6.082 1 0 KKAFHN COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027549918 561867742 /nfs/dbraw/zinc/86/77/42/561867742.db2.gz WLLDCVHJRCZONV-SSEXGKCCSA-N 0 3 529.706 6.633 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3Oc3ccccc3)cc1)CC2 ZINC000027654026 561877182 /nfs/dbraw/zinc/87/71/82/561877182.db2.gz WIHWHNCYFUMLIA-UHFFFAOYSA-N 0 3 508.618 6.349 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc4ccccc4n3)cc1)CC2 ZINC000027655776 561877441 /nfs/dbraw/zinc/87/74/41/561877441.db2.gz IHYIEVZVUPBFIO-UHFFFAOYSA-N 0 3 586.692 6.357 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000027657144 561877961 /nfs/dbraw/zinc/87/79/61/561877961.db2.gz BEEQXPRIGOACQA-QHCPKHFHSA-N 0 3 619.515 7.404 1 0 KKAFHN COc1ccc([C@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736166 561881837 /nfs/dbraw/zinc/88/18/37/561881837.db2.gz AEKRAIGQUFARMX-CLJLJLNGSA-N 0 3 508.615 5.110 1 0 KKAFHN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCCN(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027877994 561888753 /nfs/dbraw/zinc/88/87/53/561888753.db2.gz JYIHNEXEMOABLT-CBCOYMTMSA-N 0 3 501.796 8.111 1 0 KKAFHN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3ccc(Cl)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887134 561889573 /nfs/dbraw/zinc/88/95/73/561889573.db2.gz WUQDKLRKJCHPFS-PMERELPUSA-N 0 3 525.064 5.915 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(O)(c4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997422 561894056 /nfs/dbraw/zinc/89/40/56/561894056.db2.gz GGHMYUMZXWTTQT-HKBQPEDESA-N 0 3 616.542 5.113 1 0 KKAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000027999897 561894609 /nfs/dbraw/zinc/89/46/09/561894609.db2.gz HFTDAWJFAQMENN-ZUHDFBLUSA-N 0 3 625.187 5.335 1 0 KKAFHN COc1cc2c(cc1OCCNCCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000028002821 561894972 /nfs/dbraw/zinc/89/49/72/561894972.db2.gz SBAQNALMGGEPLL-UHFFFAOYSA-N 0 3 519.617 6.177 1 0 KKAFHN COc1ccc(OCCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007013 561895823 /nfs/dbraw/zinc/89/58/23/561895823.db2.gz ZDDOKQGCSSPNEM-PGUFJCEWSA-N 0 3 619.828 6.279 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@H]2Sc3ccccc3N2C=O)c1 ZINC000028008870 561896093 /nfs/dbraw/zinc/89/60/93/561896093.db2.gz ZWOQMOJOUOIONP-WJOKGBTCSA-N 0 3 548.680 6.356 1 0 KKAFHN CCCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011255 561896352 /nfs/dbraw/zinc/89/63/52/561896352.db2.gz PCDLAZBOJIOXQD-UQDPWRLZSA-N 0 3 596.860 7.007 1 0 KKAFHN CCCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011255 561896354 /nfs/dbraw/zinc/89/63/54/561896354.db2.gz PCDLAZBOJIOXQD-UQDPWRLZSA-N 0 3 596.860 7.007 1 0 KKAFHN COc1cc(CCN2CCN(CCCCOc3ccc(Cl)cc3[C@H]3Sc4ccccc4N3C(C)=O)CC2)cc(OC)c1OC ZINC000028013176 561896734 /nfs/dbraw/zinc/89/67/34/561896734.db2.gz BMOOPJSSGFKUKB-UUWRZZSWSA-N 0 3 640.246 6.543 1 0 KKAFHN Cn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014175 561896965 /nfs/dbraw/zinc/89/69/65/561896965.db2.gz CDQNFYDAQGBSAS-VUHKNJSWSA-N 0 3 568.806 6.134 1 0 KKAFHN Cn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014175 561896966 /nfs/dbraw/zinc/89/69/66/561896966.db2.gz CDQNFYDAQGBSAS-VUHKNJSWSA-N 0 3 568.806 6.134 1 0 KKAFHN CCC(=O)N1c2ccccc2S[C@H]1c1cc(OC)ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028092132 561900073 /nfs/dbraw/zinc/90/00/73/561900073.db2.gz MXWBHDROFAXUDI-XIFFEERXSA-N 0 3 558.744 6.997 1 0 KKAFHN CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(Cl)c3)cc2)CC1 ZINC000028112041 561903176 /nfs/dbraw/zinc/90/31/76/561903176.db2.gz GUMUOONUTXLUDP-UHFFFAOYSA-N 0 3 502.873 7.099 1 0 KKAFHN CN1CCN(CCCn2nc(C3=C(c4cn(-c5ccc6ccccc6c5)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1 ZINC000028111772 561903188 /nfs/dbraw/zinc/90/31/88/561903188.db2.gz VJVSHXVHOJVSOB-UHFFFAOYSA-N 0 3 594.719 5.338 1 0 KKAFHN COc1c2cc3c(c1OC)CCN(C)[C@@H]3Cc1ccc(cc1)Oc1cc3c(c(OC)c1OC)CCN(C)[C@@H]3Cc1ccc(cc1)O2 ZINC000028115907 561903726 /nfs/dbraw/zinc/90/37/26/561903726.db2.gz MTOVAEJFHDLHAG-ROJLCIKYSA-N 0 3 622.762 7.162 1 0 KKAFHN C[C@@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028133645 561906244 /nfs/dbraw/zinc/90/62/44/561906244.db2.gz QVFTZVPVDAIMDC-DERQMEARSA-N 0 3 561.748 5.527 1 0 KKAFHN CCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028331081 561912692 /nfs/dbraw/zinc/91/26/92/561912692.db2.gz YMARRYFQPATFSB-UHFFFAOYSA-N 0 3 508.824 7.930 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028237233 561909991 /nfs/dbraw/zinc/90/99/91/561909991.db2.gz XUDCIPKRXUWXDU-NTEUORMPSA-N 0 3 547.621 6.325 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CCC3(c4ccc(F)cc4)OCCO3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028238560 561910101 /nfs/dbraw/zinc/91/01/01/561910101.db2.gz VEKWSXMVPJSWQF-MAJWKWKESA-N 0 3 568.705 5.626 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CCC3(c4ccc(F)cc4)OCCO3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028238560 561910103 /nfs/dbraw/zinc/91/01/03/561910103.db2.gz VEKWSXMVPJSWQF-MAJWKWKESA-N 0 3 568.705 5.626 1 0 KKAFHN O=C(CCN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028382483 561920410 /nfs/dbraw/zinc/92/04/10/561920410.db2.gz ZJSAQJKAZJAADM-UHFFFAOYSA-N 0 3 685.212 8.003 1 0 KKAFHN CN(Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374712 561918984 /nfs/dbraw/zinc/91/89/84/561918984.db2.gz JJBDKVDIKZJYDD-VSJLXWSYSA-N 0 3 636.240 5.063 1 0 KKAFHN Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1 ZINC000028383220 561920515 /nfs/dbraw/zinc/92/05/15/561920515.db2.gz WOOZSBMPDKKASI-VWLOTQADSA-N 0 3 544.627 5.444 1 0 KKAFHN C[NH+](C)C1CCN(CC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3[O-])cc2)CC1 ZINC000028387063 561921379 /nfs/dbraw/zinc/92/13/79/561921379.db2.gz BJGKPMBOOBWKQH-UHFFFAOYSA-N 0 3 631.120 6.689 1 0 KKAFHN O=C(CCC[NH+]1CCCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028389922 561922094 /nfs/dbraw/zinc/92/20/94/561922094.db2.gz ACSHIQDUJGNFPK-UHFFFAOYSA-N 0 3 602.078 7.539 1 0 KKAFHN COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@@H]3CNCCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028461219 561925274 /nfs/dbraw/zinc/92/52/74/561925274.db2.gz HZMVJLWFSIUIPU-PBBNMVCDSA-N 0 3 622.166 5.101 1 0 KKAFHN Cc1cc(C)cc(NC(=O)NC[C@@H](c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028521802 561929469 /nfs/dbraw/zinc/92/94/69/561929469.db2.gz DDHJYTODSBZYIU-YTTGMZPUSA-N 0 3 510.726 6.784 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000028523066 561929870 /nfs/dbraw/zinc/92/98/70/561929870.db2.gz RKKWLOOKZFPDMB-HKBQPEDESA-N 0 3 585.751 5.773 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523196 561929972 /nfs/dbraw/zinc/92/99/72/561929972.db2.gz QRUOSJZEFNEZHQ-UJCCJREASA-N 0 3 500.687 5.422 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523196 561929973 /nfs/dbraw/zinc/92/99/73/561929973.db2.gz QRUOSJZEFNEZHQ-UJCCJREASA-N 0 3 500.687 5.422 1 0 KKAFHN CCc1ccn2c(c1)ncc2C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000028523498 561930235 /nfs/dbraw/zinc/93/02/35/561930235.db2.gz XHIDYJZGPCURNT-WIIGKZCBSA-N 0 3 532.704 5.574 1 0 KKAFHN CCc1ccn2c(c1)ncc2C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000028523498 561930236 /nfs/dbraw/zinc/93/02/36/561930236.db2.gz XHIDYJZGPCURNT-WIIGKZCBSA-N 0 3 532.704 5.574 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646321 561945081 /nfs/dbraw/zinc/94/50/81/561945081.db2.gz BYSSGQJAFRAXOS-UMSFTDKQSA-N 0 3 528.760 5.810 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646330 561945138 /nfs/dbraw/zinc/94/51/38/561945138.db2.gz XHPVWBPEZTWPSN-MGBGTMOVSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646309 561945140 /nfs/dbraw/zinc/94/51/40/561945140.db2.gz MBWDVGJDHXOXCK-DHUJRADRSA-N 0 3 542.787 6.200 1 0 KKAFHN COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636643 561941195 /nfs/dbraw/zinc/94/11/95/561941195.db2.gz LBFWGSLFWYAMGC-WJOKGBTCSA-N 0 3 589.744 5.610 1 0 KKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000028638054 561941964 /nfs/dbraw/zinc/94/19/64/561941964.db2.gz IBMAZESEFQSFBW-UHFFFAOYSA-N 0 3 524.753 7.877 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCCc3c(Br)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646252 561944935 /nfs/dbraw/zinc/94/49/35/561944935.db2.gz ULCBUFYAPVFUKG-XIFFEERXSA-N 0 3 595.645 6.449 1 0 KKAFHN CC(C)Oc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646277 561944976 /nfs/dbraw/zinc/94/49/76/561944976.db2.gz LXYNSRGSZRHNAF-DHUJRADRSA-N 0 3 574.829 6.474 1 0 KKAFHN CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702708 561947131 /nfs/dbraw/zinc/94/71/31/561947131.db2.gz OQHYZEOWQMXHCP-XMMPIXPASA-N 0 3 612.640 6.809 1 0 KKAFHN O=C(OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028704228 561948354 /nfs/dbraw/zinc/94/83/54/561948354.db2.gz HQRXYUWJSNZQRQ-RUZDIDTESA-N 0 3 546.133 5.327 1 0 KKAFHN CN1CCN(CCCCOc2ccc(-c3cc(-c4ccccc4)c4c(n3)-c3ccccc3NC(=O)C4)cc2Cl)CC1 ZINC000028704156 561948431 /nfs/dbraw/zinc/94/84/31/561948431.db2.gz OVYOGLNLKLZBJP-UHFFFAOYSA-N 0 3 567.133 6.637 1 0 KKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704288 561948584 /nfs/dbraw/zinc/94/85/84/561948584.db2.gz MIKYSSMGUSODNP-PXJZQJOASA-N 0 3 568.139 5.625 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccc(OC)nc5)cc4)CC3)C2=O)c1 ZINC000028704498 561948654 /nfs/dbraw/zinc/94/86/54/561948654.db2.gz FIWUCUMYHZJORV-UHFFFAOYSA-N 0 3 580.660 5.909 1 0 KKAFHN Cc1cc(C)c(NCCNC(=O)[C@@H]2CC3(CCN(C(=O)[C@@H](CCCc4ccccc4)NC(=O)C(C)(C)N)CC3)c3ccccc32)c(C)c1 ZINC000028706014 561949263 /nfs/dbraw/zinc/94/92/63/561949263.db2.gz YZLWTDPGLBVVPQ-ZFEZZJPFSA-N 0 3 651.896 5.433 1 0 KKAFHN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CCN(C)C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000028707782 561950214 /nfs/dbraw/zinc/95/02/14/561950214.db2.gz YPQSWVMYIBHMQU-LJQANCHMSA-N 0 3 556.560 5.117 1 0 KKAFHN CCN1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028713635 561954071 /nfs/dbraw/zinc/95/40/71/561954071.db2.gz CIBAYWPDYJITNN-IBGZPJMESA-N 0 3 526.002 7.135 1 0 KKAFHN c1ccc(C(CCN2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816205 561964040 /nfs/dbraw/zinc/96/40/40/561964040.db2.gz QUMDLHSILZMXIA-COCZKOEFSA-N 0 3 638.852 8.823 1 0 KKAFHN CN1CCN(CCCOc2ccc(C3O[C@H](c4ccccc4Cl)[C@@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000028816247 561964050 /nfs/dbraw/zinc/96/40/50/561964050.db2.gz ONCHPBKAGOWLIQ-VSGBNLITSA-N 0 3 527.492 6.538 1 0 KKAFHN CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000028817298 561964635 /nfs/dbraw/zinc/96/46/35/561964635.db2.gz DMOYSEGTQIGQTM-UHFFFAOYSA-N 0 3 524.536 5.814 1 0 KKAFHN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CCN4CCC4)ccn32)n1)c1ccccc1 ZINC000028822155 561966722 /nfs/dbraw/zinc/96/67/22/561966722.db2.gz KRJQPVKMGUTYTM-QHCPKHFHSA-N 0 3 535.671 5.908 1 0 KKAFHN COC(=O)c1sc2cc(F)ccc2c1C1CCN(C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824382 561969537 /nfs/dbraw/zinc/96/95/37/561969537.db2.gz WGUZZROGPWEHAR-DEOSSOPVSA-N 0 3 658.718 5.854 1 0 KKAFHN O=C1c2ccccc2C(=O)N1CCCCN1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869727 561973838 /nfs/dbraw/zinc/97/38/38/561973838.db2.gz UPEDKGWAXYKNLY-NDEPHWFRSA-N 0 3 502.058 5.514 1 0 KKAFHN O=C(OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1 ZINC000028879507 561976492 /nfs/dbraw/zinc/97/64/92/561976492.db2.gz HSJXMFJMCVMAKI-NSOVKSMOSA-N 0 3 640.168 6.628 1 0 KKAFHN CN(C)C(=O)CN1CCC(Cn2c3ccccc3c3cc(C(=O)N4CCN(C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 ZINC000028889686 561978058 /nfs/dbraw/zinc/97/80/58/561978058.db2.gz UFNQEGHYWQYWSB-UHFFFAOYSA-N 0 3 602.179 5.428 1 0 KKAFHN O=C(c1cc2c3ccccc3n(C[C@@H]3CCNC[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCN(CC(F)(F)F)CC1 ZINC000028889701 561978192 /nfs/dbraw/zinc/97/81/92/561978192.db2.gz RSDYGTXGQLVPFB-FNZWTVRRSA-N 0 3 603.060 6.508 1 0 KKAFHN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cccc(OCCN3CCCCC3)c21 ZINC000028892249 561978297 /nfs/dbraw/zinc/97/82/97/561978297.db2.gz RFQUPEWTNAMUKD-XMMPIXPASA-N 0 3 525.693 6.085 1 0 KKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1[C@H](C)NC(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000028892343 561978325 /nfs/dbraw/zinc/97/83/25/561978325.db2.gz GEKOXTKXWRGFMQ-LJAQVGFWSA-N 0 3 640.828 8.137 1 0 KKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(Nc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ns3)CC1)=CC2 ZINC000028957202 561983188 /nfs/dbraw/zinc/98/31/88/561983188.db2.gz TZRGGOZFUMLKLA-JXFKEZNVSA-N 0 3 530.582 7.111 1 0 KKAFHN O=C(Nc1nc2ccc(C(=O)N3CC[C@@H](NCc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967527 561985223 /nfs/dbraw/zinc/98/52/23/561985223.db2.gz AVNRQNCIDFQTAS-RUZDIDTESA-N 0 3 512.679 5.973 1 0 KKAFHN O=C(Nc1nc2ccc(C(=O)N3CC[C@H](NCc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967532 561985247 /nfs/dbraw/zinc/98/52/47/561985247.db2.gz AVNRQNCIDFQTAS-VWLOTQADSA-N 0 3 512.679 5.973 1 0 KKAFHN COc1ccc(OC)c(C(=O)Nc2nc3ccc(C(=O)NCCNCc4ccc5ccccc5c4)cc3s2)c1 ZINC000028967707 561985348 /nfs/dbraw/zinc/98/53/48/561985348.db2.gz ZDQDVTJDANMHRR-UHFFFAOYSA-N 0 3 540.645 5.239 1 0 KKAFHN CCNC(=O)NC1CCN(Cc2ccc(-c3nc4nc(SC)ncc4cc3-c3ccccc3)cc2)CC1 ZINC000028980051 561988459 /nfs/dbraw/zinc/98/84/59/561988459.db2.gz HOMHJTJWACGWMP-UHFFFAOYSA-N 0 3 512.683 5.364 1 0 KKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(N)s5)CC4)cc3)nc2n1 ZINC000029037179 561988463 /nfs/dbraw/zinc/98/84/63/561988463.db2.gz BVMOTFUJGCIPKD-UHFFFAOYSA-N 0 3 525.707 5.894 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000029039278 561989651 /nfs/dbraw/zinc/98/96/51/561989651.db2.gz KVAFVQVUSUWETG-QHCPKHFHSA-N 0 3 510.044 6.322 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C(=O)OC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039340 561989737 /nfs/dbraw/zinc/98/97/37/561989737.db2.gz SQWVOXOCDCWIEB-FIXSFTCYSA-N 0 3 538.010 5.010 1 0 KKAFHN O=C(Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1)c1ccc(CN2CCCCC2)cc1 ZINC000029046273 561992829 /nfs/dbraw/zinc/99/28/29/561992829.db2.gz WECNWUSUXVLYLK-PGUFJCEWSA-N 0 3 624.692 5.823 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4csc(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062377 561996051 /nfs/dbraw/zinc/99/60/51/561996051.db2.gz SFTBDBTVPUYAQX-LJAQVGFWSA-N 0 3 548.753 6.064 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cccnc4)c3=O)CC2)C(C)C)c1 ZINC000029064234 561996284 /nfs/dbraw/zinc/99/62/84/561996284.db2.gz DZBPCCBNAIHNNJ-SSEXGKCCSA-N 0 3 528.697 5.694 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cnccn4)c3=O)CC2)C(C)C)c1 ZINC000029064069 561996295 /nfs/dbraw/zinc/99/62/95/561996295.db2.gz IVZMHEWNZZMPTO-GDLZYMKVSA-N 0 3 529.685 5.089 1 0 KKAFHN C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2ncco2)cc(-c2ncco2)c1 ZINC000029129116 562001572 /nfs/dbraw/zinc/00/15/72/562001572.db2.gz WGYRDHMVDDVNRZ-BNIKKZEQSA-N 0 3 533.604 5.309 1 0 KKAFHN C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nccs2)cc(-c2nccs2)c1 ZINC000029129507 562001908 /nfs/dbraw/zinc/00/19/08/562001908.db2.gz KDBCNKHHBUKNRH-BNIKKZEQSA-N 0 3 565.740 6.246 1 0 KKAFHN COc1ccc2c(c1)C[C@@H](Sc1ccc(OCCN3CCCCC3)cc1)[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000029312853 562012156 /nfs/dbraw/zinc/01/21/56/562012156.db2.gz MIEOUGAGNUPXNU-MMKLJALJSA-N 0 3 521.767 6.548 1 0 KKAFHN COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C(C)C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029338552 562014772 /nfs/dbraw/zinc/01/47/72/562014772.db2.gz UZAQLUSKGDVMCF-RUZDIDTESA-N 0 3 546.520 6.475 1 0 KKAFHN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000029411836 562021910 /nfs/dbraw/zinc/02/19/10/562021910.db2.gz BIMJVPXBEXJSPH-YTTGMZPUSA-N 0 3 546.759 7.233 1 0 KKAFHN CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000029480718 562027258 /nfs/dbraw/zinc/02/72/58/562027258.db2.gz LTWFJGXDTKTBLB-BCRBLDSWSA-N 0 3 626.886 6.030 1 0 KKAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000029467369 562024744 /nfs/dbraw/zinc/02/47/44/562024744.db2.gz ANPDXXWCXYXWBT-UHFFFAOYSA-N 0 3 667.295 5.278 1 0 KKAFHN CC(C)c1ccc(N2CNC(=O)C23CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC3)cc1 ZINC000029477420 562026665 /nfs/dbraw/zinc/02/66/65/562026665.db2.gz ANAAXKMZILVPRT-UHFFFAOYSA-N 0 3 518.652 6.045 1 0 KKAFHN CNC(=O)Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029561156 562033247 /nfs/dbraw/zinc/03/32/47/562033247.db2.gz AEUYUCUVFNNAHV-UHFFFAOYSA-N 0 3 501.606 5.061 1 0 KKAFHN O=C(CCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)N(c1ccccc1)C1CCCCC1 ZINC000029555109 562031911 /nfs/dbraw/zinc/03/19/11/562031911.db2.gz ZTTWBAJERSGUBJ-BHYZAODMSA-N 0 3 529.675 7.421 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@H]2CN(C)c3ccccc3S2)c1 ZINC000029559537 562032840 /nfs/dbraw/zinc/03/28/40/562032840.db2.gz YRKXDSQFNDBXPZ-LJAQVGFWSA-N 0 3 522.667 5.487 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)N(C)CC1CCCCC1 ZINC000029482239 562027495 /nfs/dbraw/zinc/02/74/95/562027495.db2.gz OYXVGBLHSLYWBP-LQJZCPKCSA-N 0 3 561.811 6.232 1 0 KKAFHN O=C(OCc1ccccc1)Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029562635 562033539 /nfs/dbraw/zinc/03/35/39/562033539.db2.gz SPTWJKJTLZNWPT-UHFFFAOYSA-N 0 3 578.688 7.058 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Br)cc4)nc3n2)CC1 ZINC000029564185 562034045 /nfs/dbraw/zinc/03/40/45/562034045.db2.gz NCBRFZSXMXIOAD-UHFFFAOYSA-N 0 3 644.405 6.455 1 0 KKAFHN O=C(Cc1ccccc1)Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566162 562034478 /nfs/dbraw/zinc/03/44/78/562034478.db2.gz QOFIYPMRPCNFLK-UHFFFAOYSA-N 0 3 562.689 6.491 1 0 KKAFHN Cc1ccc(-c2nn(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801020 562041098 /nfs/dbraw/zinc/04/10/98/562041098.db2.gz HMCSQQRQWHXSFU-UHFFFAOYSA-N 0 3 520.599 5.993 1 0 KKAFHN COc1ccccc1N1CCN(CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000034801017 562041148 /nfs/dbraw/zinc/04/11/48/562041148.db2.gz VEHMQZMSSPFGRO-UHFFFAOYSA-N 0 3 524.709 6.153 1 0 KKAFHN CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4OC4CCN(C)CC4)ccc3C)ccc2n1 ZINC000034804570 562043178 /nfs/dbraw/zinc/04/31/78/562043178.db2.gz DGUSFVFTIHATAT-UHFFFAOYSA-N 0 3 549.597 6.391 1 0 KKAFHN CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804835 562043511 /nfs/dbraw/zinc/04/35/11/562043511.db2.gz DKBCAGVQZAJUSZ-UHFFFAOYSA-N 0 3 639.719 6.142 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000036177573 562049482 /nfs/dbraw/zinc/04/94/82/562049482.db2.gz UTKYLEFNOKDKOE-UXBLZVDNSA-N 0 3 555.909 6.325 1 0 KKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H]1Cc1cccnc1 ZINC000035975122 562045988 /nfs/dbraw/zinc/04/59/88/562045988.db2.gz MINVVCXPGANHIA-AREMUKBSSA-N 0 3 511.592 5.272 1 0 KKAFHN CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H](C3CC4(CC4)C3)NC[C@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080060 562046150 /nfs/dbraw/zinc/04/61/50/562046150.db2.gz RUCJIIMIRGBHTE-DHLKQENFSA-N 0 3 578.157 5.944 1 0 KKAFHN O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CC2CCCCC2)CC2CCCCC2)CC1 ZINC000036284834 562053523 /nfs/dbraw/zinc/05/35/23/562053523.db2.gz DOYFFOORPOMQKB-YYFXGUOYSA-N 0 3 633.321 7.248 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000036338864 562057425 /nfs/dbraw/zinc/05/74/25/562057425.db2.gz HIFPXVLZYKQXID-UHFFFAOYSA-N 0 3 596.679 6.019 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000036338864 562057427 /nfs/dbraw/zinc/05/74/27/562057427.db2.gz HIFPXVLZYKQXID-UHFFFAOYSA-N 0 3 596.679 6.019 1 0 KKAFHN Cc1cccc(N(C)C(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338881 562057513 /nfs/dbraw/zinc/05/75/13/562057513.db2.gz BVOTXUKSZIXDAM-UHFFFAOYSA-N 0 3 526.710 5.111 1 0 KKAFHN Cc1cccc(N(C)C(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338881 562057515 /nfs/dbraw/zinc/05/75/15/562057515.db2.gz BVOTXUKSZIXDAM-UHFFFAOYSA-N 0 3 526.710 5.111 1 0 KKAFHN COCCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338897 562057558 /nfs/dbraw/zinc/05/75/58/562057558.db2.gz JPWOUJQSSZSAEC-UHFFFAOYSA-N 0 3 570.763 5.446 1 0 KKAFHN COCCN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338897 562057560 /nfs/dbraw/zinc/05/75/60/562057560.db2.gz JPWOUJQSSZSAEC-UHFFFAOYSA-N 0 3 570.763 5.446 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036338894 562057596 /nfs/dbraw/zinc/05/75/96/562057596.db2.gz LWAMOKCDAHOWOM-UHFFFAOYSA-N 0 3 581.573 6.428 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036338894 562057597 /nfs/dbraw/zinc/05/75/97/562057597.db2.gz LWAMOKCDAHOWOM-UHFFFAOYSA-N 0 3 581.573 6.428 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000036349229 562057863 /nfs/dbraw/zinc/05/78/63/562057863.db2.gz ROMYLFSTEDMJGG-SSEXGKCCSA-N 0 3 605.743 5.229 1 0 KKAFHN COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 ZINC000036349244 562057996 /nfs/dbraw/zinc/05/79/96/562057996.db2.gz HPRDHALQPIXBSW-WJOKGBTCSA-N 0 3 589.744 5.610 1 0 KKAFHN COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 ZINC000036349242 562058000 /nfs/dbraw/zinc/05/80/00/562058000.db2.gz IFOQRGBXSMPXLY-SSEXGKCCSA-N 0 3 575.717 5.220 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCC3CCCC3)C2)C1 ZINC000036351479 562058321 /nfs/dbraw/zinc/05/83/21/562058321.db2.gz DPIMUOJRFNNAHL-KYJUHHDHSA-N 0 3 584.727 6.615 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCC5)c4)C[C@H]23)CC1 ZINC000036351580 562058712 /nfs/dbraw/zinc/05/87/12/562058712.db2.gz LDHLGMYURVJXRN-WWKQIGMOSA-N 0 3 540.127 5.281 1 0 KKAFHN CCNC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351561 562058720 /nfs/dbraw/zinc/05/87/20/562058720.db2.gz KMOGXAHQBLWLAE-UCVANPEUSA-N 0 3 571.141 5.212 1 0 KKAFHN CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1 ZINC000036351764 562059222 /nfs/dbraw/zinc/05/92/22/562059222.db2.gz KTSMKIKRRIOEJN-QFWOEDSFSA-N 0 3 540.539 5.637 1 0 KKAFHN CCN(CC)C[C@H](O)CSC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422447 562075990 /nfs/dbraw/zinc/07/59/90/562075990.db2.gz LLMCAXLJBYLHOZ-JTHBVZDNSA-N 0 3 514.679 5.868 1 0 KKAFHN O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(N2CCCC2)c(OCCN2CCCCC2)c1 ZINC000040565957 562078023 /nfs/dbraw/zinc/07/80/23/562078023.db2.gz NVZQFZXHIBKGBT-UHFFFAOYSA-N 0 3 500.470 5.889 1 0 KKAFHN CCCN1C[C@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@H]2C1 ZINC000040602130 562078441 /nfs/dbraw/zinc/07/84/41/562078441.db2.gz PWXYVVOGSGGNIT-PKOBYXMFSA-N 0 3 510.874 6.092 1 0 KKAFHN COC(=O)CCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040631900 562078577 /nfs/dbraw/zinc/07/85/77/562078577.db2.gz SVPCSOMHSOLIQG-UHFFFAOYSA-N 0 3 523.620 5.487 1 0 KKAFHN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040898658 562083334 /nfs/dbraw/zinc/08/33/34/562083334.db2.gz BDOBNHGYFGVFDD-QHCPKHFHSA-N 0 3 507.581 6.647 1 0 KKAFHN C[C@H](c1ccn(-c2ccc(C(F)(F)F)cc2)c1)N1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000040899812 562083376 /nfs/dbraw/zinc/08/33/76/562083376.db2.gz KECSVTDSTFIBIO-GOSISDBHSA-N 0 3 505.968 5.870 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccc(C)cc1 ZINC000042803241 562088104 /nfs/dbraw/zinc/08/81/04/562088104.db2.gz XEDCIESGUQLHMH-UHFFFAOYSA-N 0 3 551.691 5.421 1 0 KKAFHN COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3N(C)CC2 ZINC000095909661 560059560 /nfs/dbraw/zinc/05/95/60/560059560.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 0 3 594.708 6.556 1 0 biogenic,in-vitro KKAFHN Cc1cc(C)n(C[C@@H](NC(=O)NC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccccc2)n1 ZINC000043021944 562644953 /nfs/dbraw/zinc/64/49/53/562644953.db2.gz LCXRMOKMNODMLL-GDLZYMKVSA-N 0 3 564.656 6.015 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000043064030 562645305 /nfs/dbraw/zinc/64/53/05/562645305.db2.gz BEXVBWGCOSRYDF-PMERELPUSA-N 0 3 550.600 6.538 1 0 KKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000043070632 562645501 /nfs/dbraw/zinc/64/55/01/562645501.db2.gz MMJRIJVMZMXHPL-UHFFFAOYSA-N 0 3 540.630 5.240 1 0 KKAFHN O=C(N[C@@H](c1ncc[nH]1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043069679 562645522 /nfs/dbraw/zinc/64/55/22/562645522.db2.gz PCLLBFUYVTXKME-RUZDIDTESA-N 0 3 522.575 5.272 1 0 KKAFHN CC(=O)NC1(c2cccc(F)c2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccccc3)C(=O)CO2)CC1 ZINC000043105328 562645987 /nfs/dbraw/zinc/64/59/87/562645987.db2.gz GZSOMSMPMRBKAO-HKBQPEDESA-N 0 3 584.519 5.909 1 0 KKAFHN CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000043170522 562646536 /nfs/dbraw/zinc/64/65/36/562646536.db2.gz ONTKIUFMGHVNJP-UHFFFAOYSA-N 0 3 507.642 5.935 1 0 KKAFHN COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(CCNc3c4ccc(Cl)cc4nc4c3CCCC4)CC1)C2 ZINC000043174934 562646590 /nfs/dbraw/zinc/64/65/90/562646590.db2.gz FNBJPXIAYRUTAU-JOCHJYFZSA-N 0 3 548.127 6.353 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCN4CCCCC4)c3Cl)c2n1 ZINC000044031970 562651741 /nfs/dbraw/zinc/65/17/41/562651741.db2.gz RMTHOYRNQSAXCC-UHFFFAOYSA-N 0 3 593.577 5.088 1 0 KKAFHN CN(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052555 562651822 /nfs/dbraw/zinc/65/18/22/562651822.db2.gz MDLRAEPVBHKBOT-SANMLTNESA-N 0 3 546.405 5.135 1 0 KKAFHN O=C(O[C@H](Cc1ccccc1)CN1CCN(CCCCn2c3ccccc3c3ccccc32)CC1)c1ccccc1 ZINC000044306460 562653783 /nfs/dbraw/zinc/65/37/83/562653783.db2.gz SOBFYVRPTUPRPS-WJOKGBTCSA-N 0 3 545.727 6.661 1 0 KKAFHN CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC[C@@H]2CCOC2)CC1 ZINC000044358371 562655336 /nfs/dbraw/zinc/65/53/36/562655336.db2.gz VNZFZQBATSJITB-HFZDXXHNSA-N 0 3 546.539 5.108 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1C ZINC000044359429 562655472 /nfs/dbraw/zinc/65/54/72/562655472.db2.gz XSDWSIBQQPTUOF-LMSSTIIKSA-N 0 3 582.667 5.064 1 0 KKAFHN FC(F)(F)c1ccc(Nc2nc(N3CCNCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000044387073 562656028 /nfs/dbraw/zinc/65/60/28/562656028.db2.gz KOKWUMJGDGLYBY-UHFFFAOYSA-N 0 3 540.402 6.309 1 0 KKAFHN CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4C(F)(F)F)cs3)C2)cc1 ZINC000045186614 562658216 /nfs/dbraw/zinc/65/82/16/562658216.db2.gz LDCIPMKXLAJYAT-FQEVSTJZSA-N 0 3 500.630 6.983 1 0 KKAFHN C[NH+](C)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045211265 562659345 /nfs/dbraw/zinc/65/93/45/562659345.db2.gz VRPZMEZJIINZRN-QHCPKHFHSA-N 0 3 506.474 5.113 1 0 KKAFHN c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)oc1CNCCN1CCOCC1 ZINC000045226686 562659380 /nfs/dbraw/zinc/65/93/80/562659380.db2.gz VBSIYFLNTMIVQC-UHFFFAOYSA-N 0 3 521.621 5.848 1 0 KKAFHN O=C(N[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045228535 562659519 /nfs/dbraw/zinc/65/95/19/562659519.db2.gz XDCYTXNEJKMHIJ-VWLOTQADSA-N 0 3 532.512 5.647 1 0 KKAFHN Cc1ccc(N2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)c1 ZINC000045229288 562659564 /nfs/dbraw/zinc/65/95/64/562659564.db2.gz SJGLQVJJYKHFCS-UHFFFAOYSA-N 0 3 519.089 5.541 1 0 KKAFHN Cc1cc(OCCCN2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2n1 ZINC000045231278 562659708 /nfs/dbraw/zinc/65/97/08/562659708.db2.gz UCYULHKIUZOKKA-UHFFFAOYSA-N 0 3 508.471 5.062 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCOc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000045231380 562659719 /nfs/dbraw/zinc/65/97/19/562659719.db2.gz NWGQEIQRJIXFIL-WJOKGBTCSA-N 0 3 518.721 5.133 1 0 KKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045287134 562660198 /nfs/dbraw/zinc/66/01/98/562660198.db2.gz UEUNIDSAYSDNGK-UHFFFAOYSA-N 0 3 514.670 6.150 1 0 KKAFHN CC(C)(C)OC(=O)n1ccc2cc(CNC[C@@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045290931 562660357 /nfs/dbraw/zinc/66/03/57/562660357.db2.gz QZHOOQCSGZGSKN-RUZDIDTESA-N 0 3 516.429 5.000 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C=C/c4cccc(-c5ccccc5)c4)CC3)c2c1 ZINC000045301444 562660516 /nfs/dbraw/zinc/66/05/16/562660516.db2.gz WHMGUGOTHSUKGZ-ILXNMNDLSA-N 0 3 507.634 5.238 1 0 KKAFHN CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045302962 562660749 /nfs/dbraw/zinc/66/07/49/562660749.db2.gz YGRLQBYLITUWDG-HSZRJFAPSA-N 0 3 511.713 5.429 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000045303052 562660785 /nfs/dbraw/zinc/66/07/85/562660785.db2.gz RQJLTPYFEKFWPB-KPKJPENVSA-N 0 3 521.464 5.672 1 0 KKAFHN CCCCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045321575 562661054 /nfs/dbraw/zinc/66/10/54/562661054.db2.gz MDOBMFVRAIEFSI-IBGZPJMESA-N 0 3 511.610 5.138 1 0 KKAFHN CCCC[C@H]1N(CC2CCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048999494 562663210 /nfs/dbraw/zinc/66/32/10/562663210.db2.gz BQGPVKKNJCGGSP-HHHXNRCGSA-N 0 3 509.735 5.944 1 0 KKAFHN c1ccc(CNCc2ccc(CN(CCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067592 562663985 /nfs/dbraw/zinc/66/39/85/562663985.db2.gz WHPDQMKLUXKLEA-PMERELPUSA-N 0 3 502.666 5.765 1 0 KKAFHN CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4)cc32)cc1 ZINC000049069056 562664054 /nfs/dbraw/zinc/66/40/54/562664054.db2.gz DODANUINFWAAIF-UHFFFAOYSA-N 0 3 507.642 5.983 1 0 KKAFHN O=C(CCOCCc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000049112772 562664596 /nfs/dbraw/zinc/66/45/96/562664596.db2.gz IXKSPYNBVOXXMS-UHFFFAOYSA-N 0 3 533.116 6.596 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2Cc2ccccc2)s1)C1CCCCC1 ZINC000049125547 562664756 /nfs/dbraw/zinc/66/47/56/562664756.db2.gz YVVYRJPRGCJJLO-PPNCUWOSSA-N 0 3 518.727 5.224 1 0 KKAFHN COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)NC2CCN(Cc4ccccc4)CC2)[C@@H](Cc2ccc(O)cc2)C(=O)N3)c1 ZINC000049605088 562665355 /nfs/dbraw/zinc/66/53/55/562665355.db2.gz QUNKXPWBEYCFIL-ZAQUEYBZSA-N 0 3 718.895 6.223 1 0 KKAFHN COc1ccc(NC(=O)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000049605280 562665629 /nfs/dbraw/zinc/66/56/29/562665629.db2.gz NFNSUJCBMNEKHX-MDWZMJQESA-N 0 3 567.052 5.907 1 0 KKAFHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c1)CC2 ZINC000049605302 562665673 /nfs/dbraw/zinc/66/56/73/562665673.db2.gz MPEJCPFTSQOUEY-UHFFFAOYSA-N 0 3 536.598 6.003 1 0 KKAFHN COc1ccc([C@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049605449 562665914 /nfs/dbraw/zinc/66/59/14/562665914.db2.gz WQQCWWFROVXTDG-OIDHKYIRSA-N 0 3 678.661 5.736 1 0 KKAFHN CCNC(=O)NC1CCN(Cc2c(-c3cccs3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000049605500 562665964 /nfs/dbraw/zinc/66/59/64/562665964.db2.gz FQJNVWVYTBECGO-NRFANRHFSA-N 0 3 547.769 5.945 1 0 KKAFHN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605789 562666346 /nfs/dbraw/zinc/66/63/46/562666346.db2.gz NLPYUOOSZXDDEC-UFYCRDLUSA-N 0 3 572.364 6.586 1 0 KKAFHN CN(C)CCNC(=O)c1ccc2c(c1)n(C1CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC1)c(=O)n2CC1CCCCC1 ZINC000049626109 562667014 /nfs/dbraw/zinc/66/70/14/562667014.db2.gz VENUATGDELZKLZ-UHFFFAOYSA-N 0 3 643.854 5.368 1 0 KKAFHN CC(C)(C)C(=O)Oc1ccc(C[C@@H]2NCCc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)cc1OC(=O)C(C)(C)C ZINC000049626265 562667107 /nfs/dbraw/zinc/66/71/07/562667107.db2.gz ZLQIOUWNDPAURR-DEOSSOPVSA-N 0 3 623.787 6.922 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049626714 562667325 /nfs/dbraw/zinc/66/73/25/562667325.db2.gz RNOJVMQUOQWFKT-KPKJPENVSA-N 0 3 571.471 6.552 1 0 KKAFHN O=c1cc(NCC[C@@H](CNCc2cc3ccccc3o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049626739 562667349 /nfs/dbraw/zinc/66/73/49/562667349.db2.gz SDROXRZCBIRXDT-QHCPKHFHSA-N 0 3 624.377 6.550 1 0 KKAFHN O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000049650259 562668060 /nfs/dbraw/zinc/66/80/60/562668060.db2.gz KLGKWPHPNYLNFS-UHFFFAOYSA-N 0 3 647.263 9.029 1 0 KKAFHN CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCCN6CCCCC6)cc5sc4n3)cc2)no1 ZINC000049708660 562670981 /nfs/dbraw/zinc/67/09/81/562670981.db2.gz HRTFJSPOQWWRIM-UHFFFAOYSA-N 0 3 558.708 7.010 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000049710070 562671498 /nfs/dbraw/zinc/67/14/98/562671498.db2.gz MLNFOBLETLUVAI-UHFFFAOYSA-N 0 3 607.821 5.067 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2CCc2cccc(F)c2F)CCC3)CC1 ZINC000049722685 562672368 /nfs/dbraw/zinc/67/23/68/562672368.db2.gz QBQYZJCUCCJYOJ-UHFFFAOYSA-N 0 3 677.758 7.599 1 0 KKAFHN CCc1ccc(CNC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)o1 ZINC000049722981 562672781 /nfs/dbraw/zinc/67/27/81/562672781.db2.gz CEMZBHDGSBBBKE-OAQYLSRUSA-N 0 3 602.371 5.959 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744875 562673558 /nfs/dbraw/zinc/67/35/58/562673558.db2.gz LQKSVBWVXREMMV-XUVXKRRUSA-N 0 3 555.909 6.072 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)cc1-c1ccccc1 ZINC000049744942 562673604 /nfs/dbraw/zinc/67/36/04/562673604.db2.gz IQFWTLKHJVZEBD-UHFFFAOYSA-N 0 3 701.780 8.635 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C(=C/c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000049745039 562673665 /nfs/dbraw/zinc/67/36/65/562673665.db2.gz GOHWYHYJIYTAOW-DTSDZHHLSA-N 0 3 583.732 6.765 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049745829 562674109 /nfs/dbraw/zinc/67/41/09/562674109.db2.gz CFWKOGVQRHXYDF-UHFFFAOYSA-N 0 3 634.891 6.429 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1 ZINC000049746027 562674224 /nfs/dbraw/zinc/67/42/24/562674224.db2.gz GCTKLNPCQFYBOB-JGCGQSQUSA-N 0 3 599.986 7.028 1 0 KKAFHN COc1ccc(C(=O)C[C@H](NCCCCCCCCN[C@@H](CC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746741 562674571 /nfs/dbraw/zinc/67/45/71/562674571.db2.gz PZCAJRBMLAWARR-UWXQCODUSA-N 0 3 706.884 7.084 1 0 KKAFHN O=C1c2cc(OCCN3CCCCC3)ccc2-c2c1c1ccccc1nc2-c1ccc(OCCN2CCCCC2)cc1 ZINC000049756458 562675046 /nfs/dbraw/zinc/67/50/46/562675046.db2.gz JZXNGSFRELANIS-UHFFFAOYSA-N 0 3 561.726 6.843 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CCN(C)CC1 ZINC000049756818 562675263 /nfs/dbraw/zinc/67/52/63/562675263.db2.gz DIOOREPVPOCQKL-UHFFFAOYSA-N 0 3 558.683 5.814 1 0 KKAFHN CCN(C[C@@H](CC1CCCCC1)NC(=O)OCc1nccs1)C[C@H](CC1CCCCC1)NC(=O)OCc1cncs1 ZINC000049774936 562678787 /nfs/dbraw/zinc/67/87/87/562678787.db2.gz LIXMKOKUEJGOKF-IZZNHLLZSA-N 0 3 605.871 6.752 1 0 KKAFHN CCOc1cc(CC)ccc1C1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)cc3)CC2)CC1 ZINC000049777040 562679537 /nfs/dbraw/zinc/67/95/37/562679537.db2.gz COVVZTVRXSKDRL-UHFFFAOYSA-N 0 3 581.801 6.591 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778325 562681208 /nfs/dbraw/zinc/68/12/08/562681208.db2.gz YWSRNMSVJIDYNV-JOMNFKBKSA-N 0 3 723.544 8.948 1 0 KKAFHN CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 ZINC000049780581 562681915 /nfs/dbraw/zinc/68/19/15/562681915.db2.gz LGCMOVRCUKEIRN-RPWUZVMVSA-N 0 3 594.700 5.721 1 0 KKAFHN CN(C)CCNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000049780133 562681368 /nfs/dbraw/zinc/68/13/68/562681368.db2.gz PUQZWAZCZZGVMG-ZEQRLZLVSA-N 0 3 651.332 5.153 1 0 KKAFHN Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781108 562682683 /nfs/dbraw/zinc/68/26/83/562682683.db2.gz HHFNUPNPOFOJPD-QHCPKHFHSA-N 0 3 594.410 7.929 1 0 KKAFHN CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781267 562682863 /nfs/dbraw/zinc/68/28/63/562682863.db2.gz LDJHYSRTVHXITO-MHZLTWQESA-N 0 3 645.071 7.254 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)CN4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 ZINC000049793302 562684704 /nfs/dbraw/zinc/68/47/04/562684704.db2.gz MDXHYQFXUDJZES-SSEXGKCCSA-N 0 3 602.845 5.024 1 0 KKAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000049841461 562688364 /nfs/dbraw/zinc/68/83/64/562688364.db2.gz PWYGLERUDMYFDC-UHFFFAOYSA-N 0 3 644.728 6.144 1 0 KKAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2n1 ZINC000049898145 562692278 /nfs/dbraw/zinc/69/22/78/562692278.db2.gz PFSYTCDBLGSLFB-UHFFFAOYSA-N 0 3 645.716 5.539 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 ZINC000053025979 562696130 /nfs/dbraw/zinc/69/61/30/562696130.db2.gz ZWNBANLWZZXEKO-UHFFFAOYSA-N 0 3 505.490 6.036 1 0 KKAFHN COc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000049908056 562693398 /nfs/dbraw/zinc/69/33/98/562693398.db2.gz HYOUMDZUCVBABI-UHFFFAOYSA-N 0 3 556.469 5.627 1 0 KKAFHN CCc1ccc(NC(=O)N(CCCn2ccnc2)Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)cc1 ZINC000049917777 562693929 /nfs/dbraw/zinc/69/39/29/562693929.db2.gz WSUSORWFWWYPBK-UHFFFAOYSA-N 0 3 564.759 6.983 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917858 562694017 /nfs/dbraw/zinc/69/40/17/562694017.db2.gz DJGWKTWKRTXWLC-NHCUHLMSSA-N 0 3 619.943 7.295 1 0 KKAFHN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917957 562694203 /nfs/dbraw/zinc/69/42/03/562694203.db2.gz AGLUKBSNZHMNNX-UFYCRDLUSA-N 0 3 572.364 6.586 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049917947 562694177 /nfs/dbraw/zinc/69/41/77/562694177.db2.gz SEOXZFYESRVXQQ-UHFFFAOYSA-N 0 3 603.236 6.425 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049917984 562694276 /nfs/dbraw/zinc/69/42/76/562694276.db2.gz NRNWHTIXQIROHB-UHFFFAOYSA-N 0 3 676.730 7.516 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5s4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049918114 562694461 /nfs/dbraw/zinc/69/44/61/562694461.db2.gz RLEGSRXMQFKDBA-WNOXWKSXSA-N 0 3 665.860 5.644 1 0 KKAFHN COc1ccc(NC(=O)N[C@@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049918178 562694543 /nfs/dbraw/zinc/69/45/43/562694543.db2.gz MLJAUVIDNIEKEN-WUTDNEBXSA-N 0 3 549.499 5.206 1 0 KKAFHN CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000049938441 562695352 /nfs/dbraw/zinc/69/53/52/562695352.db2.gz IOOZPOJLJXNYOT-RUZDIDTESA-N 0 3 715.742 5.553 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000052987911 562696084 /nfs/dbraw/zinc/69/60/84/562696084.db2.gz IAJNZPZRAMWRRM-TUMTZTIRSA-N 0 3 546.649 6.518 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000052987911 562696085 /nfs/dbraw/zinc/69/60/85/562696085.db2.gz IAJNZPZRAMWRRM-TUMTZTIRSA-N 0 3 546.649 6.518 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc4ccc(F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253785 562696970 /nfs/dbraw/zinc/69/69/70/562696970.db2.gz LBWYDRIRXZIEHB-HUROMRQRSA-N 0 3 522.640 5.151 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc4ccc(F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253785 562696971 /nfs/dbraw/zinc/69/69/71/562696971.db2.gz LBWYDRIRXZIEHB-HUROMRQRSA-N 0 3 522.640 5.151 1 0 KKAFHN COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000055749964 562697773 /nfs/dbraw/zinc/69/77/73/562697773.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 0 3 624.734 6.565 1 0 KKAFHN CN(C)/C=C/N1CCN(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)CC1 ZINC000058487365 562698121 /nfs/dbraw/zinc/69/81/21/562698121.db2.gz ALOCTNUSOHUKMM-VHEBQXMUSA-N 0 3 520.681 5.010 1 0 KKAFHN CC1(C)CCN(C2(C(N)=O)CCN(C(=O)c3cc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)n3CCCNS(C)(=O)=O)CC2)CC1 ZINC000058503302 562698293 /nfs/dbraw/zinc/69/82/93/562698293.db2.gz ODQVFPXSIHLBPD-UHFFFAOYSA-N 0 3 723.167 6.304 1 0 KKAFHN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)ccc3=O)CC2)c1=O ZINC000058548229 562699119 /nfs/dbraw/zinc/69/91/19/562699119.db2.gz BAZBDQIGUTVYRQ-UHFFFAOYSA-N 0 3 663.581 5.667 1 0 KKAFHN COCCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058592505 562700596 /nfs/dbraw/zinc/70/05/96/562700596.db2.gz UPMYXXWLKPRNBD-RUZDIDTESA-N 0 3 634.044 7.301 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000058638981 562701190 /nfs/dbraw/zinc/70/11/90/562701190.db2.gz ACRSSIRQZLKXJN-NYFMKLKXSA-N 0 3 663.042 5.985 1 0 in-vitro KKAFHN Cc1cccnc1[C@@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1 ZINC000061895545 562702866 /nfs/dbraw/zinc/70/28/66/562702866.db2.gz FRDBUCBHBQKYBK-HKBQPEDESA-N 0 3 509.625 6.439 3 0 KKAFHN COc1ccc([C@@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)cn1 ZINC000061897979 562702940 /nfs/dbraw/zinc/70/29/40/562702940.db2.gz LLLNQQOQHKAYHT-JGCGQSQUSA-N 0 3 521.661 6.309 3 0 KKAFHN O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000061898506 562702965 /nfs/dbraw/zinc/70/29/65/562702965.db2.gz BGFKMUVOKQEJAS-LJAQVGFWSA-N 0 3 501.577 5.510 3 0 KKAFHN CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061906724 562703100 /nfs/dbraw/zinc/70/31/00/562703100.db2.gz SRAUXLKDIRXQJW-NRFANRHFSA-N 0 3 511.573 5.815 3 0 KKAFHN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN4CCCC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000063539603 562704479 /nfs/dbraw/zinc/70/44/79/562704479.db2.gz HTROFVQKJODSCL-UHFFFAOYSA-N 0 3 535.652 6.130 1 0 KKAFHN CN(C)Cc1cccc([C@@]23C[C@@H]2C[C@@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2cc(Cl)nc(Cl)c2)CC3)c1 ZINC000064491747 562705936 /nfs/dbraw/zinc/70/59/36/562705936.db2.gz RKIZEMGGSLKGQX-PEGYQXGSSA-N 0 3 608.636 5.466 1 0 KKAFHN Clc1ccc([C@@H](c2ccccc2)N2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064510756 562706197 /nfs/dbraw/zinc/70/61/97/562706197.db2.gz FYIHUHLFTBIBLG-GDLZYMKVSA-N 0 3 505.493 6.751 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCNC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064512359 562706234 /nfs/dbraw/zinc/70/62/34/562706234.db2.gz IYBKCWABKHOZDN-XORNHQRDSA-N 0 3 515.498 5.475 1 0 KKAFHN O=C(CCCN1CCC(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000064514006 562706544 /nfs/dbraw/zinc/70/65/44/562706544.db2.gz AADWBQLQKGQDIM-UHFFFAOYSA-N 0 3 567.817 8.297 1 0 KKAFHN CN1CCC(Oc2ccc3ncn(-c4cc(OCc5ccccc5C(F)(F)F)c(C(N)=O)s4)c3c2)CC1 ZINC000064746655 562709167 /nfs/dbraw/zinc/70/91/67/562709167.db2.gz FNHUNERGHGEZMB-UHFFFAOYSA-N 0 3 530.572 5.257 1 0 in-vitro KKAFHN O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1)N(C/C=C/c1ccccc1)C[C@@H]1C[C@@H](F)CN1 ZINC000066066117 562709296 /nfs/dbraw/zinc/70/92/96/562709296.db2.gz VISZYUPFSKJMQJ-KCBJOQEMSA-N 0 3 524.644 5.074 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073967 562709610 /nfs/dbraw/zinc/70/96/10/562709610.db2.gz OXHFCAMGABAVGJ-MGBGTMOVSA-N 0 3 606.815 6.000 1 0 KKAFHN C[C@@H]1CN(C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073933 562709649 /nfs/dbraw/zinc/70/96/49/562709649.db2.gz QCTSPULDYKATSX-HXUWFJFHSA-N 0 3 621.440 6.800 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074417 562709872 /nfs/dbraw/zinc/70/98/72/562709872.db2.gz HHPXXUVAVCXMQF-WJOKGBTCSA-N 0 3 631.652 6.909 1 0 KKAFHN O=C(Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 ZINC000066075800 562710039 /nfs/dbraw/zinc/71/00/39/562710039.db2.gz XWOZZFOEVKMVJC-GDLZYMKVSA-N 0 3 534.616 5.410 1 0 KKAFHN CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000066080424 562710780 /nfs/dbraw/zinc/71/07/80/562710780.db2.gz BQGPSOUAQNSHSM-HHHXNRCGSA-N 0 3 538.523 5.276 1 0 KKAFHN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c1 ZINC000066104151 562711650 /nfs/dbraw/zinc/71/16/50/562711650.db2.gz SUQFSXIAGBTMRT-UHFFFAOYSA-N 0 3 578.117 5.015 1 0 KKAFHN O=C(CCCc1ccccc1)O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000066104711 562711749 /nfs/dbraw/zinc/71/17/49/562711749.db2.gz BYFXZIUNDKEGTH-GDLZYMKVSA-N 0 3 524.076 6.850 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCN2CCCCC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000066104833 562711754 /nfs/dbraw/zinc/71/17/54/562711754.db2.gz FOMYDJXGULFNEY-SITIXWHRSA-N 0 3 581.639 5.575 1 0 KKAFHN CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)Cc1ccccc1 ZINC000066123822 562712583 /nfs/dbraw/zinc/71/25/83/562712583.db2.gz IZKPDLACVBPOLR-UHFFFAOYSA-N 0 3 521.727 5.103 1 0 KKAFHN CN1CCC[C@@H](Nc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258802 562715131 /nfs/dbraw/zinc/71/51/31/562715131.db2.gz UKGUYMZTTOHLED-LJQANCHMSA-N 0 3 565.566 5.764 1 0 KKAFHN CN(CC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330165 562719086 /nfs/dbraw/zinc/71/90/86/562719086.db2.gz QJIHBQHUALITFU-DEOSSOPVSA-N 0 3 510.509 5.570 1 0 KKAFHN CC(C)c1ccc(C=C2CN(Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334369 562719579 /nfs/dbraw/zinc/71/95/79/562719579.db2.gz OHNIUIOFVVGQRR-NBQDTTAVSA-N 0 3 507.747 7.306 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103198 562720338 /nfs/dbraw/zinc/72/03/38/562720338.db2.gz GTPMMMDYPWSLBL-WISKXVKBSA-N 0 3 676.053 6.857 3 0 KKAFHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118157 562723471 /nfs/dbraw/zinc/72/34/71/562723471.db2.gz KYIVTVHLBYHQGA-WGDIFIGCSA-N 0 3 560.542 7.556 1 0 KKAFHN O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072121360 562724230 /nfs/dbraw/zinc/72/42/30/562724230.db2.gz SZYOEPFBMRLVKU-UMSFTDKQSA-N 0 3 545.658 7.284 3 0 KKAFHN CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127741 562725885 /nfs/dbraw/zinc/72/58/85/562725885.db2.gz HUJIOOUZBZWSBP-COCZKOEFSA-N 0 3 749.997 7.473 3 0 KKAFHN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@]12CCCN1C(=O)N(CCCCN1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128760 562726261 /nfs/dbraw/zinc/72/62/61/562726261.db2.gz HNDPSBWXLXUVKK-FAIXQHPJSA-N 0 3 710.945 5.907 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000072136499 562728015 /nfs/dbraw/zinc/72/80/15/562728015.db2.gz NLDQNXPJJNOIIK-OVWOLCBMSA-N 0 3 578.713 5.353 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000072138043 562728582 /nfs/dbraw/zinc/72/85/82/562728582.db2.gz NNHYDAJISGOSNF-RLCGNTSFSA-N 0 3 654.151 5.441 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000072138043 562728583 /nfs/dbraw/zinc/72/85/83/562728583.db2.gz NNHYDAJISGOSNF-RLCGNTSFSA-N 0 3 654.151 5.441 3 0 KKAFHN CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccccc1)OCCCC[C@H](C)O2 ZINC000072138492 562728774 /nfs/dbraw/zinc/72/87/74/562728774.db2.gz SIHQACFNVCTPOW-OLHJXYGRSA-N 0 3 582.786 5.144 3 0 KKAFHN COc1ccc(N(S(=O)(=O)c2cccc3c2cccc3N(C)C)S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CCNCC1 ZINC000072147798 562729905 /nfs/dbraw/zinc/72/99/05/562729905.db2.gz NPEAGLGRRKGAOK-UHFFFAOYSA-N 0 3 673.861 5.127 1 0 KKAFHN COc1ccc([C@@H](C)CN(C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072173021 562730708 /nfs/dbraw/zinc/73/07/08/562730708.db2.gz WCJGGTAAPIAIJS-PSEQGZRXSA-N 0 3 737.894 6.367 1 0 in-vitro KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173007 562730713 /nfs/dbraw/zinc/73/07/13/562730713.db2.gz DIRZPSUTKSDOOL-UHFFFAOYSA-N 0 3 558.631 5.520 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180411 562732523 /nfs/dbraw/zinc/73/25/23/562732523.db2.gz KOOGZNWWYRPBFJ-OWCLPIDISA-N 0 3 517.432 5.739 1 0 KKAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2OC(F)F)c2cccc(F)c12)C1CC1 ZINC000073140369 562733619 /nfs/dbraw/zinc/73/36/19/562733619.db2.gz IKMISGUCMXQLNN-HEIROHQZSA-N 0 3 599.600 5.697 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2Cl)c2ccc(Br)cc2)CC1 ZINC000073198191 562735651 /nfs/dbraw/zinc/73/56/51/562735651.db2.gz SAPIKJFPEVQOKS-LJQANCHMSA-N 0 3 624.838 7.484 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4Cl)c4ccccc4c3=O)CC2)c1 ZINC000073224303 562736613 /nfs/dbraw/zinc/73/66/13/562736613.db2.gz QQBJRMBDLBYGBZ-UHFFFAOYSA-N 0 3 549.502 6.598 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4cccc(Cl)c4)c4ccccc4c3=O)CC2)c1 ZINC000073224504 562736697 /nfs/dbraw/zinc/73/66/97/562736697.db2.gz GEBYDLQEEGYWCR-UHFFFAOYSA-N 0 3 515.057 5.945 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1 ZINC000073275863 562737300 /nfs/dbraw/zinc/73/73/00/562737300.db2.gz UZOKWTAIZMGZBS-QHCPKHFHSA-N 0 3 509.355 6.898 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000073353262 562738355 /nfs/dbraw/zinc/73/83/55/562738355.db2.gz UVVXBADVWWGZMY-MRHQGJBWSA-N 0 3 601.788 5.866 3 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CNC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082140610 562739521 /nfs/dbraw/zinc/73/95/21/562739521.db2.gz GMPQJGPEIGUNAE-WJOKGBTCSA-N 0 3 672.053 6.161 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(C(C)C)cc4)c4ccccc4c3=O)CC2)c1 ZINC000082158351 562741114 /nfs/dbraw/zinc/74/11/14/562741114.db2.gz GDEKCPQOTZHLSQ-UHFFFAOYSA-N 0 3 522.693 6.415 1 0 KKAFHN Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084616490 562744597 /nfs/dbraw/zinc/74/45/97/562744597.db2.gz NPXGBPQLUUMPJK-MGBGTMOVSA-N 0 3 604.755 6.394 1 0 KKAFHN COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc(=O)c2cc1OC ZINC000084617227 562744855 /nfs/dbraw/zinc/74/48/55/562744855.db2.gz QDCAJVSXNYAGPD-UHFFFAOYSA-N 0 3 585.745 7.200 1 0 KKAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084619238 562745231 /nfs/dbraw/zinc/74/52/31/562745231.db2.gz RCXKRWNMYYQZCZ-VXKWHMMOSA-N 0 3 547.540 5.105 1 0 KKAFHN Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652428 562746549 /nfs/dbraw/zinc/74/65/49/562746549.db2.gz SIKRLXCMRFQZMV-PVVRQRKMSA-N 0 3 627.188 8.863 1 0 KKAFHN Fc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084653495 562746894 /nfs/dbraw/zinc/74/68/94/562746894.db2.gz YMDHZMGPKRALSL-JGCGQSQUSA-N 0 3 546.606 5.850 1 0 KKAFHN CC(C)(C)c1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1 ZINC000084654083 562747154 /nfs/dbraw/zinc/74/71/54/562747154.db2.gz GQDFRLDUWXFTSJ-UHFFFAOYSA-N 0 3 560.817 9.070 1 0 KKAFHN N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084670950 562748391 /nfs/dbraw/zinc/74/83/91/562748391.db2.gz WHKHKRMWZFJQBP-DHNIRKAVSA-N 0 3 543.600 5.661 1 0 KKAFHN CC(=O)c1cccc(NC(=O)N(CCc2cccnc2)Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)c1 ZINC000084672537 562748811 /nfs/dbraw/zinc/74/88/11/562748811.db2.gz SXILWMGTJYQXOK-UHFFFAOYSA-N 0 3 575.738 6.974 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724573 562751167 /nfs/dbraw/zinc/75/11/67/562751167.db2.gz HNULYTNKPUHCGU-WTRBYFHCSA-N 0 3 564.689 7.592 1 0 KKAFHN CCN(C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1 ZINC000095538112 562754511 /nfs/dbraw/zinc/75/45/11/562754511.db2.gz CSWTXNVAULACPE-XPSQVAKYSA-N 0 3 806.023 8.455 1 0 KKAFHN O=C(NN1C(=O)[C@@H](CN2CCCCC2)S[C@H]1c1ccccc1)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000095540201 562755546 /nfs/dbraw/zinc/75/55/46/562755546.db2.gz PFDHZULVPSJTNO-GERKYKROSA-N 0 3 773.551 7.351 1 0 KKAFHN CCN(CC)C[C@@H]1S[C@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540208 562755575 /nfs/dbraw/zinc/75/55/75/562755575.db2.gz KVUNLHHSMXAIAJ-WHMAPKLYSA-N 0 3 761.540 7.207 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000095540744 562755954 /nfs/dbraw/zinc/75/59/54/562755954.db2.gz CZYLHNGDDNBPEJ-UHFFFAOYSA-N 0 3 789.866 8.437 1 0 KKAFHN COc1ccc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c(OC)c1OC ZINC000095541759 562756342 /nfs/dbraw/zinc/75/63/42/562756342.db2.gz CTPOZVITFCJCLL-VZUYHUTRSA-N 0 3 748.852 6.747 1 0 KKAFHN COC(=O)c1ccc(Cn2c3ccccc3nc2C(=O)C2CCN(CC[C@@]3(c4ccc(OC)c(OC)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 ZINC000095545551 562758147 /nfs/dbraw/zinc/75/81/47/562758147.db2.gz RBJZEZVXAVEQFQ-YACUFSJGSA-N 0 3 804.941 6.683 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000095545706 562758190 /nfs/dbraw/zinc/75/81/90/562758190.db2.gz BEYBSSSCFNIKNG-WBCKFURZSA-N 0 3 772.840 8.037 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccc(OCc4ccccc4)cc32)CC1 ZINC000095548223 562759186 /nfs/dbraw/zinc/75/91/86/562759186.db2.gz DOFIXSCAAMVVQE-UHFFFAOYSA-N 0 3 793.877 9.843 1 0 KKAFHN CCN1CCN(C[C@@H]2S[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550407 562760161 /nfs/dbraw/zinc/76/01/61/562760161.db2.gz VXILBVIYBFDZND-AFPLUKJUSA-N 0 3 760.752 6.417 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095557681 562762219 /nfs/dbraw/zinc/76/22/19/562762219.db2.gz MMOVKWAFRJUUCC-UHFFFAOYSA-N 0 3 780.439 6.816 1 0 KKAFHN CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C5CC5)CC4)cn3)cc2)no1 ZINC000095559855 562762912 /nfs/dbraw/zinc/76/29/12/562762912.db2.gz BHXZFEQWQQPISU-UHFFFAOYSA-N 0 3 518.618 5.269 1 0 KKAFHN Brc1ccc(Oc2cc(Br)cc(Br)c2OCCCCCN2CCN(c3ccccc3)CC2)c(Br)c1 ZINC000095564383 562764301 /nfs/dbraw/zinc/76/43/01/562764301.db2.gz GPVPOGZATIROCR-UHFFFAOYSA-N 0 3 732.149 8.900 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566322 562764911 /nfs/dbraw/zinc/76/49/11/562764911.db2.gz CZGXFYZCYNDJOB-VBEKBXFHSA-N 0 3 752.797 8.296 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095566391 562764944 /nfs/dbraw/zinc/76/49/44/562764944.db2.gz CFABTZAAJDECGO-PDTNBVABSA-N 0 3 628.814 6.214 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566770 562765249 /nfs/dbraw/zinc/76/52/49/562765249.db2.gz BRPKOIUAXBFUAW-XUKQSAIQSA-N 0 3 622.766 6.358 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566836 562765315 /nfs/dbraw/zinc/76/53/15/562765315.db2.gz YKJQWERUMMRZAT-CUBHQPEVSA-N 0 3 642.800 7.503 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566960 562765394 /nfs/dbraw/zinc/76/53/94/562765394.db2.gz BYLIWFZGYMHZPB-AZAGJHQNSA-N 0 3 674.764 7.297 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567083 562765482 /nfs/dbraw/zinc/76/54/82/562765482.db2.gz DVQUFFYKIBJZKN-JBIYDAGWSA-N 0 3 656.827 7.432 1 0 KKAFHN CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N[C@H](c2ccccc2)C1 ZINC000095567364 562765733 /nfs/dbraw/zinc/76/57/33/562765733.db2.gz MDYPEKYXGSHXAG-KCHLEUMXSA-N 0 3 523.098 6.178 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567240 562765616 /nfs/dbraw/zinc/76/56/16/562765616.db2.gz NLDQNXPJJNOIIK-CAHKVJEUSA-N 0 3 578.713 5.353 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567321 562765705 /nfs/dbraw/zinc/76/57/05/562765705.db2.gz HOPYMWLRLXEYET-HLWKFRGCSA-N 0 3 708.816 5.175 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567653 562765973 /nfs/dbraw/zinc/76/59/73/562765973.db2.gz NLDQNXPJJNOIIK-NCLPYWGKSA-N 0 3 578.713 5.353 1 0 KKAFHN Cc1cc(N2CCN([C@@H](C(=O)NC3CCCC3)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2n1 ZINC000095567746 562766045 /nfs/dbraw/zinc/76/60/45/562766045.db2.gz NQPUPOVUVGQHQG-JGCGQSQUSA-N 0 3 504.678 6.132 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568160 562766373 /nfs/dbraw/zinc/76/63/73/562766373.db2.gz PBKGJIYWLALRHB-CUBHQPEVSA-N 0 3 660.815 6.504 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095568750 562766908 /nfs/dbraw/zinc/76/69/08/562766908.db2.gz UZEHIQNFVBKJCC-FQWYTPLZSA-N 0 3 676.839 7.207 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568904 562766982 /nfs/dbraw/zinc/76/69/82/562766982.db2.gz CDIQXANOTLSTIU-CAMFVRPXSA-N 0 3 714.867 6.599 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095569072 562767099 /nfs/dbraw/zinc/76/70/99/562767099.db2.gz UVVGEXYAUAGWIN-DGHZZKTQSA-N 0 3 624.757 6.418 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569118 562767164 /nfs/dbraw/zinc/76/71/64/562767164.db2.gz FDPNJYFOMMKIAG-SPWOZAQASA-N 0 3 780.073 6.136 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569562 562767493 /nfs/dbraw/zinc/76/74/93/562767493.db2.gz NLDQNXPJJNOIIK-PNRGXICFSA-N 0 3 578.713 5.353 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095569501 562767497 /nfs/dbraw/zinc/76/74/97/562767497.db2.gz TXGYYWCQXDVHML-ULIDOWHDSA-N 0 3 634.699 6.855 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095569615 562767561 /nfs/dbraw/zinc/76/75/61/562767561.db2.gz CMTIPOGQFXEGCZ-XUKQSAIQSA-N 0 3 655.840 5.321 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570382 562768159 /nfs/dbraw/zinc/76/81/59/562768159.db2.gz BCUCLIMAYGDMQB-LSJJIYBBSA-N 0 3 682.797 5.585 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570746 562768433 /nfs/dbraw/zinc/76/84/33/562768433.db2.gz YPKBHAMQCQAOQB-YJYIJQSESA-N 0 3 732.804 6.465 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570802 562768471 /nfs/dbraw/zinc/76/84/71/562768471.db2.gz FUZWWGXSJONWBM-IOKPGSKQSA-N 0 3 652.636 6.720 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095571327 562768925 /nfs/dbraw/zinc/76/89/25/562768925.db2.gz IQSVNIDGIMJPQN-UVNCRYBCSA-N 0 3 592.740 5.282 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095571573 562769086 /nfs/dbraw/zinc/76/90/86/562769086.db2.gz NLDQNXPJJNOIIK-NPPPIGHJSA-N 0 3 578.713 5.353 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571538 562769096 /nfs/dbraw/zinc/76/90/96/562769096.db2.gz DEMCBGNJFOTASI-QWQFASRJSA-N 0 3 638.589 5.214 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000095573273 562769643 /nfs/dbraw/zinc/76/96/43/562769643.db2.gz DWLGMXSQIHCWQW-ZMEWCLFHSA-N 0 3 603.162 7.544 1 0 KKAFHN CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1 ZINC000095575260 562770251 /nfs/dbraw/zinc/77/02/51/562770251.db2.gz JDFDIPOHWXDVCS-UHFFFAOYSA-N 0 3 513.063 5.657 1 0 KKAFHN CCN(CCCNc1c2ccccc2nc2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095576230 562770566 /nfs/dbraw/zinc/77/05/66/562770566.db2.gz IBVHBAHGLWJACY-UHFFFAOYSA-N 0 3 529.710 6.008 1 0 KKAFHN CCCCOc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095581533 562772247 /nfs/dbraw/zinc/77/22/47/562772247.db2.gz ALDQIEGFJTXBRP-UHFFFAOYSA-N 0 3 532.681 6.514 1 0 KKAFHN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095587342 562774258 /nfs/dbraw/zinc/77/42/58/562774258.db2.gz LCSSDHOWSYPALV-UHFFFAOYSA-N 0 3 622.832 10.903 1 0 KKAFHN CCCN(CCC)C(=O)c1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H](C)c1ccccc1 ZINC000095590916 562775395 /nfs/dbraw/zinc/77/53/95/562775395.db2.gz GAEGPHGJKNARQE-NRSKXHDUSA-N 0 3 515.698 5.002 1 0 KKAFHN O=C(N[C@@H](C(=O)Nc1cc([C@H](O)CNCc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095593401 562776247 /nfs/dbraw/zinc/77/62/47/562776247.db2.gz DZUXVCBPFLNAAX-VSJLXWSYSA-N 0 3 613.714 6.347 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH+]4CCCCC4)c(C)c3oc2=O)ccc1[O-] ZINC000095598135 562777315 /nfs/dbraw/zinc/77/73/15/562777315.db2.gz FEBDYKHYYUVBLJ-UHFFFAOYSA-N 0 3 504.627 5.823 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598994 562777702 /nfs/dbraw/zinc/77/77/02/562777702.db2.gz LFZLAWVTNRSJHJ-HJBDBDOVSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600125 562778619 /nfs/dbraw/zinc/77/86/19/562778619.db2.gz RBOAJFBNHJWMOW-GMERYBDXSA-N 0 3 684.800 7.277 1 0 KKAFHN Cc1cc(C(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095604549 562781036 /nfs/dbraw/zinc/78/10/36/562781036.db2.gz UFJFLQUSVAOZJI-OQIQTSLJSA-N 0 3 611.743 5.125 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604586 562781102 /nfs/dbraw/zinc/78/11/02/562781102.db2.gz UIKXZKCHSBRXDR-VUYBWUDLSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604586 562781103 /nfs/dbraw/zinc/78/11/03/562781103.db2.gz UIKXZKCHSBRXDR-VUYBWUDLSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095604571 562781133 /nfs/dbraw/zinc/78/11/33/562781133.db2.gz VEYXNSARLJIJRR-FBTROWELSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095605442 562781596 /nfs/dbraw/zinc/78/15/96/562781596.db2.gz FKBDGSUSUALVGO-RCFCZGBRSA-N 0 3 674.842 6.433 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607366 562782762 /nfs/dbraw/zinc/78/27/62/562782762.db2.gz DUVCGNYAXUOTQC-PKZQBKLLSA-N 0 3 512.698 5.149 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607366 562782763 /nfs/dbraw/zinc/78/27/63/562782763.db2.gz DUVCGNYAXUOTQC-PKZQBKLLSA-N 0 3 512.698 5.149 1 0 KKAFHN O=C(CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC000095607588 562782868 /nfs/dbraw/zinc/78/28/68/562782868.db2.gz SWTISRNMYPIMHN-BYIQVRNLSA-N 0 3 785.908 6.681 1 0 KKAFHN CC(C)N1C[C@@H](CN(C)[C@@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665585 562788190 /nfs/dbraw/zinc/78/81/90/562788190.db2.gz DDRAIKDBHFHCOA-WMZHIEFXSA-N 0 3 507.034 5.292 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000095608708 562783672 /nfs/dbraw/zinc/78/36/72/562783672.db2.gz OSTNHMODDQIWKV-WBCKFURZSA-N 0 3 757.936 5.794 1 0 KKAFHN COc1cc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000095617222 562787914 /nfs/dbraw/zinc/78/79/14/562787914.db2.gz ALPXAXWJBNDGEN-BQYQJAHWSA-N 0 3 772.896 6.173 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666455 562788216 /nfs/dbraw/zinc/78/82/16/562788216.db2.gz RZBAHHBRQVWZMS-KAUPTSPVSA-N 0 3 617.790 7.128 1 0 KKAFHN CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680113 562788336 /nfs/dbraw/zinc/78/83/36/562788336.db2.gz GFBOARZMZBDAJD-ISTJGCCRSA-N 0 3 573.738 5.286 1 0 KKAFHN COc1ccccc1CN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3OC)ccc2OC[C@H]1C ZINC000095680355 562788343 /nfs/dbraw/zinc/78/83/43/562788343.db2.gz DKEIESBWASZHQX-CEFNRUSXSA-N 0 3 590.721 5.354 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095754506 562788867 /nfs/dbraw/zinc/78/88/67/562788867.db2.gz NNHYDAJISGOSNF-CGQTXMLISA-N 0 3 654.151 5.441 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095754506 562788868 /nfs/dbraw/zinc/78/88/68/562788868.db2.gz NNHYDAJISGOSNF-CGQTXMLISA-N 0 3 654.151 5.441 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095776265 562789082 /nfs/dbraw/zinc/78/90/82/562789082.db2.gz BYLIWFZGYMHZPB-AWYDNWMNSA-N 0 3 674.764 7.297 1 0 KKAFHN CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nnc(-c4ccncc4)o3)cccc2C1=O ZINC000095872168 562790007 /nfs/dbraw/zinc/79/00/07/562790007.db2.gz OBJZWXNARBCFCY-ZOYWYXQUSA-N 0 3 603.723 6.971 1 0 KKAFHN CC[NH+](CC)CCN(C)Cc1ccc(Nc2nnc3cc(-c4cc([O-])ccc4Cl)cc(C)c3n2)cc1 ZINC000096167814 562790555 /nfs/dbraw/zinc/79/05/55/562790555.db2.gz KLRTZDQJGONMMK-UHFFFAOYSA-N 0 3 505.066 5.876 1 0 KKAFHN CN(C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2C1 ZINC000096172262 562791312 /nfs/dbraw/zinc/79/13/12/562791312.db2.gz FKHGTMQRLLWPJO-FNORWQNLSA-N 0 3 521.046 5.022 1 0 KKAFHN COc1ccc(CCNC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1OC ZINC000096174102 562791683 /nfs/dbraw/zinc/79/16/83/562791683.db2.gz PQZRUNJGCQQRNT-UHFFFAOYSA-N 0 3 630.753 5.577 1 0 KKAFHN Cc1cccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174103 562791732 /nfs/dbraw/zinc/79/17/32/562791732.db2.gz JOFMDOINPOMIBP-UHFFFAOYSA-N 0 3 556.674 6.148 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269485 562792955 /nfs/dbraw/zinc/79/29/55/562792955.db2.gz QGSCRRBPBVMEHM-AREMUKBSSA-N 0 3 642.772 7.789 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000096285372 562795560 /nfs/dbraw/zinc/79/55/60/562795560.db2.gz VXUHJSADHJEBBJ-RBTNQOKQSA-N 0 3 567.178 5.531 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000096285411 562795619 /nfs/dbraw/zinc/79/56/19/562795619.db2.gz KOCOTUUHHFPNEF-LYZGTLIUSA-N 0 3 567.178 5.531 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2ccccc2)CC1 ZINC000096302065 562796267 /nfs/dbraw/zinc/79/62/67/562796267.db2.gz AEIOWUHRHMTSSU-QTKNLHBISA-N 0 3 528.741 5.498 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2ccccc2)CC1 ZINC000096302065 562796268 /nfs/dbraw/zinc/79/62/68/562796268.db2.gz AEIOWUHRHMTSSU-QTKNLHBISA-N 0 3 528.741 5.498 1 0 KKAFHN CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902206 562797312 /nfs/dbraw/zinc/79/73/12/562797312.db2.gz HGNGRWBMZSEYMD-TWJUONSBSA-N 0 3 504.718 7.208 1 0 KKAFHN CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902207 562797336 /nfs/dbraw/zinc/79/73/36/562797336.db2.gz HGNGRWBMZSEYMD-UZNNEEJFSA-N 0 3 504.718 7.208 1 0 KKAFHN CNC(=O)C1(N2CCCNC2=O)CCN(CC[C@H](CN(C)C(=O)c2cccc3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096903715 562798016 /nfs/dbraw/zinc/79/80/16/562798016.db2.gz SBWVQUJROUKKHI-RUZDIDTESA-N 0 3 624.613 5.388 1 0 KKAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923973 562802218 /nfs/dbraw/zinc/80/22/18/562802218.db2.gz PLLWOIRCBAIRMF-PMERELPUSA-N 0 3 567.199 5.532 1 0 KKAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923973 562802219 /nfs/dbraw/zinc/80/22/19/562802219.db2.gz PLLWOIRCBAIRMF-PMERELPUSA-N 0 3 567.199 5.532 1 0 KKAFHN COc1ccc(CNCc2c3cc(F)ccc3n(C)c2-c2nnc(SC(C)C)n2-c2ccccc2)cc1 ZINC000096933344 562803589 /nfs/dbraw/zinc/80/35/89/562803589.db2.gz OBFYQKVUVRGUIY-UHFFFAOYSA-N 0 3 515.658 6.364 1 0 KKAFHN CN1CCN(CCCNc2cccc(-c3ncc(-c4ccc5ccc(-c6cnc(-c7cccc(NCCCN8CCN(C)CC8)c7)o6)cc5c4)o3)c2)CC1 ZINC000096935081 562804027 /nfs/dbraw/zinc/80/40/27/562804027.db2.gz IPEBOLOHEBAJQR-UHFFFAOYSA-N 0 3 724.954 7.583 1 0 KKAFHN c1ccc2[nH]c(S[C@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938109 562804421 /nfs/dbraw/zinc/80/44/21/562804421.db2.gz PANZHNDUZIZCQS-PMERELPUSA-N 0 3 513.707 7.250 1 0 KKAFHN CN(CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Br)cc1 ZINC000096939387 562804749 /nfs/dbraw/zinc/80/47/49/562804749.db2.gz NPWKFVGMLLDHKU-SANMLTNESA-N 0 3 643.957 6.196 1 0 KKAFHN O=c1c2ccccc2nc(-c2sc(N3CCNCC3)nc2-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000098084253 562805654 /nfs/dbraw/zinc/80/56/54/562805654.db2.gz PEBOJABTOMDBPE-UHFFFAOYSA-N 0 3 500.027 5.239 1 0 KKAFHN Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(N(C)C3CCCCC3)c2C)c(=O)[nH]1 ZINC000098185579 562805910 /nfs/dbraw/zinc/80/59/10/562805910.db2.gz CDFDOIXXKWUXHL-UHFFFAOYSA-N 0 3 514.714 5.728 1 0 KKAFHN CN(C)Cc1ccc(C=Cc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC(F)F)cc45)ccc23)cc1 ZINC000098184816 562805912 /nfs/dbraw/zinc/80/59/12/562805912.db2.gz JILOKERUAWMFHD-ZYHKEOPXSA-N 0 3 500.549 5.774 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCC(C)C)[C@@H](C2=CCN(C(=O)Oc3ccccc3)C=C2)C1C(=O)OCC(C)C ZINC000100050605 562806425 /nfs/dbraw/zinc/80/64/25/562806425.db2.gz JFEJSTCNQWJNJZ-DHJMZRGKSA-N 0 3 508.615 5.947 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC ZINC000101086018 562809058 /nfs/dbraw/zinc/80/90/58/562809058.db2.gz AEJCTJSNUNXYQL-YHBQERECSA-N 0 3 534.694 5.099 1 0 KKAFHN O=S(=O)([N-][C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F ZINC000101086056 562809065 /nfs/dbraw/zinc/80/90/65/562809065.db2.gz LVDRNYWTLKUNNT-MEMLXQNLSA-N 0 3 507.071 5.489 1 0 KKAFHN CC(C)N1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696234 562811818 /nfs/dbraw/zinc/81/18/18/562811818.db2.gz KERUUMIVCIEOOT-UHFFFAOYSA-N 0 3 583.754 6.069 1 0 KKAFHN CN(C)CCN(C)CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696518 562811939 /nfs/dbraw/zinc/81/19/39/562811939.db2.gz XXEVLGQCLWVRRA-UHFFFAOYSA-N 0 3 570.715 5.096 1 0 KKAFHN COc1ccc(OC)c(-c2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4nc2-3)c1 ZINC000101797034 562812158 /nfs/dbraw/zinc/81/21/58/562812158.db2.gz DSSCFCVACIIGBB-UHFFFAOYSA-N 0 3 520.633 5.746 1 0 KKAFHN O=c1[n-]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201553 562816119 /nfs/dbraw/zinc/81/61/19/562816119.db2.gz FUHFWCJOWKLAHZ-JTSJOTPCSA-N 0 3 629.592 7.674 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN(C)C)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228623 562817992 /nfs/dbraw/zinc/81/79/92/562817992.db2.gz QCIAAKLJZYOWPJ-UHFFFAOYSA-N 0 3 521.614 5.475 1 0 KKAFHN Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230112 562818133 /nfs/dbraw/zinc/81/81/33/562818133.db2.gz MEIKWAUCZKJDPF-MSPUWCJJSA-N 0 3 520.460 7.532 1 0 KKAFHN CCN(CCc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234264 562818604 /nfs/dbraw/zinc/81/86/04/562818604.db2.gz MKUVVYNGAHEZLC-UHFFFAOYSA-N 0 3 615.646 5.778 1 0 KKAFHN C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32CCN(C)CC2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243210 562819650 /nfs/dbraw/zinc/81/96/50/562819650.db2.gz USZCHXCWTFDLQZ-CYBMUJFWSA-N 0 3 516.404 5.227 1 0 KKAFHN C[C@@H](Oc1nc(-c2ccc3c(c2)C2(CCN(C)CC2)C(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243213 562819669 /nfs/dbraw/zinc/81/96/69/562819669.db2.gz VSCMVODYCSPQLT-CYBMUJFWSA-N 0 3 516.404 5.227 1 0 KKAFHN O=C(Nc1cnccc1C(F)(F)F)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103260685 562821199 /nfs/dbraw/zinc/82/11/99/562821199.db2.gz ZAGHGMYGYHVAMC-UHFFFAOYSA-N 0 3 530.978 6.676 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(N5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114039361 562827397 /nfs/dbraw/zinc/82/73/97/562827397.db2.gz LLFLOSXHKVIOKZ-ITAUSPCMSA-N 0 3 538.063 6.629 1 0 KKAFHN COc1ccccc1CN1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100885 562827788 /nfs/dbraw/zinc/82/77/88/562827788.db2.gz VKAMGQWMKDQIKE-HSZRJFAPSA-N 0 3 501.067 5.407 1 0 KKAFHN CN(C)c1ccc(Oc2cc(O)cc([O-])c2-c2cc(C(=O)NC3CC[NH+](C4CCC(F)(F)CC4)CC3)no2)cc1 ZINC000114331204 562827949 /nfs/dbraw/zinc/82/79/49/562827949.db2.gz ODKRYHBJLAURJA-UHFFFAOYSA-N 0 3 556.610 5.383 1 0 KKAFHN O=S(=O)([N-]CCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccs1 ZINC000114981509 562828676 /nfs/dbraw/zinc/82/86/76/562828676.db2.gz ZUNOQVCWMWEUEB-DEOSSOPVSA-N 0 3 503.089 5.068 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000138434384 562831865 /nfs/dbraw/zinc/83/18/65/562831865.db2.gz IUKRYJGYICYSFP-UHFFFAOYSA-N 0 3 590.002 5.646 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960047 562832251 /nfs/dbraw/zinc/83/22/51/562832251.db2.gz PZINVJUNZRLUIM-HKBQPEDESA-N 0 3 547.707 5.856 1 0 KKAFHN CCN(C(=O)c1ccc(CNc2nc(NC3CCCCC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000140998892 562833453 /nfs/dbraw/zinc/83/34/53/562833453.db2.gz JNTRDWXGTHRFEO-UHFFFAOYSA-N 0 3 635.813 6.783 1 0 KKAFHN CCN(C(=O)c1ccc(CNc2nc(NC)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000141247307 562833576 /nfs/dbraw/zinc/83/35/76/562833576.db2.gz IYGGTOCJJOTNES-UHFFFAOYSA-N 0 3 567.694 5.080 1 0 KKAFHN Cc1csc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)c1 ZINC000142206095 562834040 /nfs/dbraw/zinc/83/40/40/562834040.db2.gz QUVIJLUFZZROBR-OFNKIYASSA-N 0 3 525.523 5.320 1 0 KKAFHN Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5ccc(N6CCNCC6)nc5)c4)nc(C)n3)cc12 ZINC000142369394 562834188 /nfs/dbraw/zinc/83/41/88/562834188.db2.gz JPBSZJUEDMSONJ-NRFANRHFSA-N 0 3 504.638 6.151 1 0 KKAFHN CC(C)Nc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000143027922 562834464 /nfs/dbraw/zinc/83/44/64/562834464.db2.gz HVGJZHHGYOCZDF-UHFFFAOYSA-N 0 3 542.651 5.058 1 0 KKAFHN [NH3+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143248878 562834874 /nfs/dbraw/zinc/83/48/74/562834874.db2.gz AYHOCUNWSMDBOV-LEWJYISDSA-N 0 3 511.496 5.012 1 0 KKAFHN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CC[NH+](C2CCCCC2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145249806 562836968 /nfs/dbraw/zinc/83/69/68/562836968.db2.gz HUUJXNFSUJYWIH-LJQANCHMSA-N 0 3 584.680 5.091 1 0 KKAFHN CCc1cc(C(=O)NC2CCN(CC)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145974047 562837902 /nfs/dbraw/zinc/83/79/02/562837902.db2.gz MYRVQOTYHFVQEK-UHFFFAOYSA-N 0 3 567.612 5.937 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146012295 562837938 /nfs/dbraw/zinc/83/79/38/562837938.db2.gz OSBSLPQRYDHUTC-HNNXBMFYSA-N 0 3 619.044 5.664 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@@H]2CCN(CCF)C[C@@H]2F)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146826892 562838817 /nfs/dbraw/zinc/83/88/17/562838817.db2.gz UUORNGBCVZGLIB-ZXHRZLIWSA-N 0 3 611.536 5.381 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146854187 562838840 /nfs/dbraw/zinc/83/88/40/562838840.db2.gz CQOOBCLBMYGVDE-LJAQVGFWSA-N 0 3 509.654 6.010 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906273 562838873 /nfs/dbraw/zinc/83/88/73/562838873.db2.gz AEJRFQRMYCKSKQ-QFSFRBPQSA-N 0 3 576.540 5.550 1 0 KKAFHN Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CC(N(C)C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146940848 562838957 /nfs/dbraw/zinc/83/89/57/562838957.db2.gz KDDXJHWMRSDOEE-UHFFFAOYSA-N 0 3 509.702 5.381 1 0 KKAFHN CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147641617 562839489 /nfs/dbraw/zinc/83/94/89/562839489.db2.gz LVGOHLZRHCXTJK-GSDHBNRESA-N 0 3 523.802 8.923 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N(C)CCN5CCCC5)nc43)c2)cc1C(F)(F)F ZINC000148064945 562840099 /nfs/dbraw/zinc/84/00/99/562840099.db2.gz TVABHLCYJVTFFA-UHFFFAOYSA-N 0 3 601.033 5.629 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCCN(C)C)nc43)c2)cc1C(F)(F)F ZINC000148079184 562840190 /nfs/dbraw/zinc/84/01/90/562840190.db2.gz LPSZDCSZBJMQPD-UHFFFAOYSA-N 0 3 594.520 5.435 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148150193 562840340 /nfs/dbraw/zinc/84/03/40/562840340.db2.gz HYDMAOJGEFUZKB-FQEVSTJZSA-N 0 3 623.684 5.189 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000148163317 562840396 /nfs/dbraw/zinc/84/03/96/562840396.db2.gz INWNWSXLDSJSKR-UHFFFAOYSA-N 0 3 617.636 5.690 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148167567 562840408 /nfs/dbraw/zinc/84/04/08/562840408.db2.gz WFRCKOGJHOZMMF-UHFFFAOYSA-N 0 3 585.610 5.122 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000148171053 562840422 /nfs/dbraw/zinc/84/04/22/562840422.db2.gz LFUHZURAYFMLOU-UHFFFAOYSA-N 0 3 630.679 5.748 1 0 KKAFHN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N(C)CCN(C)C)nc32)c1 ZINC000148211975 562840576 /nfs/dbraw/zinc/84/05/76/562840576.db2.gz RBPPGVBSNDYMRH-UHFFFAOYSA-N 0 3 542.688 5.028 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@H]3C)n1 ZINC000148438351 562841290 /nfs/dbraw/zinc/84/12/90/562841290.db2.gz GNWXJOMTHJVQCJ-MRXNPFEDSA-N 0 3 573.591 6.053 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2C(C)=O)n1 ZINC000148452352 562841336 /nfs/dbraw/zinc/84/13/36/562841336.db2.gz GWCCMUMVKPUSTM-UHFFFAOYSA-N 0 3 543.546 5.067 1 0 KKAFHN COc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000148612700 562841547 /nfs/dbraw/zinc/84/15/47/562841547.db2.gz IETSSHMCIVYCEF-QFIPXVFZSA-N 0 3 517.066 5.025 1 0 KKAFHN COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148748860 562841737 /nfs/dbraw/zinc/84/17/37/562841737.db2.gz LZNLVKVRHVELDP-UHFFFAOYSA-N 0 3 515.982 5.347 1 0 KKAFHN COc1cc(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148941615 562841985 /nfs/dbraw/zinc/84/19/85/562841985.db2.gz JAIDXTUIPAUCID-QFIPXVFZSA-N 0 3 519.057 5.546 1 0 KKAFHN Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@H](c4ccncc4)N4CC(N)C4)cc3c2)c2ccccc2)c(C)c1 ZINC000150254847 562843016 /nfs/dbraw/zinc/84/30/16/562843016.db2.gz GRUZNBXOQLIPOX-HEVIKAOCSA-N 0 3 530.672 5.625 1 0 KKAFHN C[NH+](C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1C(=O)C(F)(F)F ZINC000150524465 562843707 /nfs/dbraw/zinc/84/37/07/562843707.db2.gz QNCXHFNMOFGZBZ-PGUFJCEWSA-N 0 3 864.456 8.717 1 0 KKAFHN CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)c2ccccc2)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C ZINC000150595859 562846641 /nfs/dbraw/zinc/84/66/41/562846641.db2.gz XCHZRTOPHAACMW-YXUXXRGZSA-N 0 3 659.893 7.128 1 0 KKAFHN CCN(CC)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N(CC)CC)cc2)cc1)c1ccccc1 ZINC000150601024 562847217 /nfs/dbraw/zinc/84/72/17/562847217.db2.gz VEBMGQFZMFBZTK-ATUXXYJQSA-N 0 3 756.992 7.379 1 0 KKAFHN CC(C)c1nc(CN(C)C(=O)NC2(C(=O)N[C@H](CC[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)Cc3ccccc3)CCN(C)CC2)cs1 ZINC000164723318 562849674 /nfs/dbraw/zinc/84/96/74/562849674.db2.gz PFESJDCERSQSIQ-ROJLCIKYSA-N 0 3 746.016 6.374 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCCC4)CC3)nc12 ZINC000166141074 562850359 /nfs/dbraw/zinc/85/03/59/562850359.db2.gz DJEGHVWVSPTKPW-UHFFFAOYSA-N 0 3 591.642 5.390 1 0 KKAFHN COc1c(CNC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[C@H](F)C4)nc32)c1 ZINC000166222645 562850408 /nfs/dbraw/zinc/85/04/08/562850408.db2.gz FWOQUKAPPOUUSZ-NRFANRHFSA-N 0 3 612.632 5.798 1 0 KKAFHN CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000169311330 562855138 /nfs/dbraw/zinc/85/51/38/562855138.db2.gz OZBXXFLHXNPSFR-UHFFFAOYSA-N 0 3 586.391 6.836 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169322867 562856883 /nfs/dbraw/zinc/85/68/83/562856883.db2.gz YWCRCVGXXDJBEW-UHFFFAOYSA-N 0 3 640.272 8.426 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169325212 562857592 /nfs/dbraw/zinc/85/75/92/562857592.db2.gz QUENBTRQOPYVCF-UHFFFAOYSA-N 0 3 576.829 9.437 1 0 KKAFHN CCCCCCC(=O)Sc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000169330285 562858676 /nfs/dbraw/zinc/85/86/76/562858676.db2.gz XQNHHBSXMPJDDO-UHFFFAOYSA-N 0 3 509.691 7.065 1 0 KKAFHN CCCN1[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000169332088 562859096 /nfs/dbraw/zinc/85/90/96/562859096.db2.gz CRNOHPGCPLJAOD-ZQKNEJEOSA-N 0 3 503.771 7.454 1 0 KKAFHN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000169341146 562860690 /nfs/dbraw/zinc/86/06/90/562860690.db2.gz QWRCMCNZGCYTPB-UHFFFAOYSA-N 0 3 604.759 5.924 1 0 KKAFHN COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350405 562862776 /nfs/dbraw/zinc/86/27/76/562862776.db2.gz MIGGISAQDJIIEI-UHFFFAOYSA-N 0 3 682.753 5.306 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350403 562862836 /nfs/dbraw/zinc/86/28/36/562862836.db2.gz CIPWVHJQNZNVAN-UHFFFAOYSA-N 0 3 736.723 6.196 1 0 KKAFHN Brc1c2nc(N3CCC[C@@H](CN4CCN(c5ccccn5)CC4)C3)[nH]c2c(Br)c(Br)c1Br ZINC000169697591 562866458 /nfs/dbraw/zinc/86/64/58/562866458.db2.gz IKBPPBPUBQVNKU-AWEZNQCLSA-N 0 3 692.092 6.047 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702147 562868222 /nfs/dbraw/zinc/86/82/22/562868222.db2.gz RFBBFPAJRLWLRU-UHFFFAOYSA-N 0 3 531.060 5.523 1 0 KKAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@@H]4C)c(OC)c2)CC1 ZINC000169702412 562868328 /nfs/dbraw/zinc/86/83/28/562868328.db2.gz IZXDQHFACWSTOE-FQEVSTJZSA-N 0 3 616.166 5.450 1 0 KKAFHN CCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@@H]4C)c(OC)c2)CC1 ZINC000169702410 562868334 /nfs/dbraw/zinc/86/83/34/562868334.db2.gz NFISIFLEAMLXMW-IBGZPJMESA-N 0 3 586.140 5.823 1 0 KKAFHN CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(NCC5CC5)c4Cl)C3)cc2)s1 ZINC000169709376 562870379 /nfs/dbraw/zinc/87/03/79/562870379.db2.gz MNKKSCNSCJEWKE-HTAPYJJXSA-N 0 3 583.158 5.819 1 0 KKAFHN CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(NCC(F)F)c4Cl)C3)cc2)s1 ZINC000169709379 562870401 /nfs/dbraw/zinc/87/04/01/562870401.db2.gz PVCJIXJIATVOLP-HNAYVOBHSA-N 0 3 593.100 5.674 1 0 KKAFHN O=C(Nc1ccccc1)N[C@@H]1CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000195252666 562871607 /nfs/dbraw/zinc/87/16/07/562871607.db2.gz MENBXQWQAZNXTG-FYBSXPHGSA-N 0 3 567.517 5.647 1 0 KKAFHN Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N(C)C)CC3)c1 ZINC000199991535 562873244 /nfs/dbraw/zinc/87/32/44/562873244.db2.gz LTNIAWNRRZEOCA-LADGPHEKSA-N 0 3 572.760 5.619 1 0 KKAFHN O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc21)c1ccc(CN2CCCCC2)cc1NC1CCOCC1 ZINC000200764497 562873422 /nfs/dbraw/zinc/87/34/22/562873422.db2.gz QDOTUHIGOCRMSM-UHFFFAOYSA-N 0 3 559.661 6.261 1 0 KKAFHN CCN1CCC(c2cc(Nc3ncc4sc(C(N)=O)c(-c5ccccc5OC(F)(F)F)c4n3)n(C(C)C)n2)CC1 ZINC000204967189 562874658 /nfs/dbraw/zinc/87/46/58/562874658.db2.gz KTZJURLNROBYIL-UHFFFAOYSA-N 0 3 573.645 6.076 1 0 KKAFHN COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2cc1NC(=O)/C=C/CN(C)C ZINC000205296019 562875017 /nfs/dbraw/zinc/87/50/17/562875017.db2.gz DEHYOWDSFWSILS-VMPITWQZSA-N 0 3 545.615 5.173 1 0 KKAFHN CC(C)Nc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn21 ZINC000205490722 562875445 /nfs/dbraw/zinc/87/54/45/562875445.db2.gz UYRKFMAPPBMERN-UHFFFAOYSA-N 0 3 619.737 6.120 1 0 KKAFHN [NH3+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000205654793 562875600 /nfs/dbraw/zinc/87/56/00/562875600.db2.gz BPZOGWXXIUMIML-UHFFFAOYSA-N 0 3 598.099 6.531 1 0 KKAFHN COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C ZINC000213801526 562877225 /nfs/dbraw/zinc/87/72/25/562877225.db2.gz HPKILEYSBNGEIE-VMPITWQZSA-N 0 3 580.060 5.826 1 0 KKAFHN Cc1oncc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000219072821 562877974 /nfs/dbraw/zinc/87/79/74/562877974.db2.gz QCHQOBGIUWWBLB-XIFFEERXSA-N 0 3 583.777 7.628 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000221458068 562879012 /nfs/dbraw/zinc/87/90/12/562879012.db2.gz HYWHYYQDFBRNJV-UHFFFAOYSA-N 0 3 569.750 6.815 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CCN(C)C)c1)C2=O ZINC000224096291 562880335 /nfs/dbraw/zinc/88/03/35/562880335.db2.gz IFRLFSYFJZFISV-MUUNZHRXSA-N 0 3 580.516 5.784 1 0 KKAFHN CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2N[C@H](c2ccccc2)C1 ZINC000224597292 562880476 /nfs/dbraw/zinc/88/04/76/562880476.db2.gz MDYPEKYXGSHXAG-IARZGTGTSA-N 0 3 523.098 6.178 3 0 KKAFHN CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000253634019 562882139 /nfs/dbraw/zinc/88/21/39/562882139.db2.gz MOSIRVPMEDLWCZ-HDWKMFMGSA-N 0 3 583.729 5.021 1 0 KKAFHN C[C@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253638455 562882457 /nfs/dbraw/zinc/88/24/57/562882457.db2.gz RCIMAYJLHGXJSS-DMEDLEQBSA-N 0 3 509.137 5.127 1 0 KKAFHN C[C@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253638455 562882458 /nfs/dbraw/zinc/88/24/58/562882458.db2.gz RCIMAYJLHGXJSS-DMEDLEQBSA-N 0 3 509.137 5.127 1 0 KKAFHN CN1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000299823746 562883043 /nfs/dbraw/zinc/88/30/43/562883043.db2.gz TUYLFLYCHFXLHM-UHFFFAOYSA-N 0 3 520.633 6.125 1 0 KKAFHN CCOc1cc(OCC)cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c1 ZINC000299826403 562883844 /nfs/dbraw/zinc/88/38/44/562883844.db2.gz FXWZTYUATPUVDI-NDEPHWFRSA-N 0 3 571.640 5.189 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C(F)(F)F)cc1F ZINC000299834495 562886458 /nfs/dbraw/zinc/88/64/58/562886458.db2.gz JLCOBIOZIRCTOF-UHFFFAOYSA-N 0 3 714.120 6.696 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)nc4)cc3)ccc2OC)c1 ZINC000299835095 562886678 /nfs/dbraw/zinc/88/66/78/562886678.db2.gz LQBMNBTZBDGJDQ-UHFFFAOYSA-N 0 3 523.633 6.158 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4N)cc3)ccc2OC)c1 ZINC000299835132 562886683 /nfs/dbraw/zinc/88/66/83/562886683.db2.gz LTGYLWMZSUMWCZ-UHFFFAOYSA-N 0 3 537.660 6.345 1 0 KKAFHN Cc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1 ZINC000299837746 562887619 /nfs/dbraw/zinc/88/76/19/562887619.db2.gz PKJCNVBPDXZMDO-VWLOTQADSA-N 0 3 527.587 5.170 1 0 KKAFHN CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000299838364 562887864 /nfs/dbraw/zinc/88/78/64/562887864.db2.gz UTSQNVLOMVPCIW-YTTGMZPUSA-N 0 3 595.788 7.045 1 0 KKAFHN O=C(Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1)/C(F)=C/CN1CCCCC1 ZINC000299838837 562887975 /nfs/dbraw/zinc/88/79/75/562887975.db2.gz RFXHNJBBKBSDIB-GRKMDYAMSA-N 0 3 544.002 5.611 1 0 KKAFHN O=C(NCCN1CCN(C2CCC2)CC1)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1 ZINC000299862345 562893587 /nfs/dbraw/zinc/89/35/87/562893587.db2.gz JNEVMXDLGBKOSK-UHFFFAOYSA-N 0 3 529.088 5.322 1 0 KKAFHN CO[C@@H]1CCCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862926 562893675 /nfs/dbraw/zinc/89/36/75/562893675.db2.gz KIIVFPPAZKVFDP-HHHXNRCGSA-N 0 3 549.502 7.351 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863850 562893947 /nfs/dbraw/zinc/89/39/47/562893947.db2.gz LRIVUPRHLMQOGF-ZVZYGMPWSA-N 0 3 606.166 6.980 1 0 KKAFHN O=C(c1ccc(OCCN2CCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299867317 562894827 /nfs/dbraw/zinc/89/48/27/562894827.db2.gz QDLRHMZRLCCZQC-YCNHBXJWSA-N 0 3 557.694 5.936 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299870689 562895525 /nfs/dbraw/zinc/89/55/25/562895525.db2.gz WSGCGGATBVZWKD-MRUMMDIBSA-N 0 3 571.721 6.326 1 0 KKAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(C(F)(F)F)cc1C1CCN(C)CC1 ZINC000473090266 562897508 /nfs/dbraw/zinc/89/75/08/562897508.db2.gz NRWIWXUOGYXDBH-UHFFFAOYSA-N 0 3 586.084 5.091 1 0 KKAFHN CC[N@H+](CCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1)Cc1ccccc1OC ZINC000473115497 562899059 /nfs/dbraw/zinc/89/90/59/562899059.db2.gz TUCZTPCHFSWZTK-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN CC[N@@H+](CCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1)Cc1ccccc1OC ZINC000473115497 562899060 /nfs/dbraw/zinc/89/90/60/562899060.db2.gz TUCZTPCHFSWZTK-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152112 562901724 /nfs/dbraw/zinc/90/17/24/562901724.db2.gz HUFWBIPWZUHEBJ-CTUHWIOQSA-N 0 3 564.126 5.975 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152112 562901725 /nfs/dbraw/zinc/90/17/25/562901725.db2.gz HUFWBIPWZUHEBJ-CTUHWIOQSA-N 0 3 564.126 5.975 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473152604 562901811 /nfs/dbraw/zinc/90/18/11/562901811.db2.gz UORVVOCXCLCVTI-PMERELPUSA-N 0 3 522.089 5.522 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473152607 562901813 /nfs/dbraw/zinc/90/18/13/562901813.db2.gz UORVVOCXCLCVTI-SSEXGKCCSA-N 0 3 522.089 5.522 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152452 562901826 /nfs/dbraw/zinc/90/18/26/562901826.db2.gz UHRMTCOEBUUBLY-XIFFEERXSA-N 0 3 545.724 5.657 1 0 KKAFHN N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(C[C@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233226 562904438 /nfs/dbraw/zinc/90/44/38/562904438.db2.gz MWPFNYBDOHKZHA-ZUKKLESISA-N 0 3 585.793 6.810 1 0 KKAFHN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)cc1 ZINC000474607078 562905422 /nfs/dbraw/zinc/90/54/22/562905422.db2.gz IZJLHJIJZZCSAE-UHFFFAOYSA-N 0 3 598.607 5.535 1 0 KKAFHN COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2OC[C@@H]1CN(C)C ZINC000653697786 562907138 /nfs/dbraw/zinc/90/71/38/562907138.db2.gz CNKNQPUXMDIQIR-PEXXQYNDSA-N 0 3 533.466 5.596 1 0 KKAFHN CN(C)CC[C@](O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21 ZINC000653714245 562908396 /nfs/dbraw/zinc/90/83/96/562908396.db2.gz GHGVFXRKINKBLR-ZSTPPTKCSA-N 0 3 638.606 7.625 1 0 KKAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCC(N2CCN(C)CC2)CC1 ZINC000653735946 562909712 /nfs/dbraw/zinc/90/97/12/562909712.db2.gz FFEQDKZQOWESHM-UHFFFAOYSA-N 0 3 657.285 5.656 1 0 KKAFHN CCN(CCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653746557 562910409 /nfs/dbraw/zinc/91/04/09/562910409.db2.gz AOWUGOYNWGJDDH-OUKQBFOZSA-N 0 3 532.681 5.680 1 0 KKAFHN CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1ccc3c(c1)CCC[C@@H]3CCC(=O)N1CCN(C3CCCCC3)CC1)C2=O ZINC000653791385 562912678 /nfs/dbraw/zinc/91/26/78/562912678.db2.gz PMADXNIXEGVGGP-GDLZYMKVSA-N 0 3 642.885 6.665 1 0 KKAFHN O=C(Nc1cccc(CN2CCCCC2)c1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653795696 562913106 /nfs/dbraw/zinc/91/31/06/562913106.db2.gz ZDTCQLGDNXTJET-UHFFFAOYSA-N 0 3 520.559 7.022 1 0 KKAFHN C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825370 562914369 /nfs/dbraw/zinc/91/43/69/562914369.db2.gz BAWZESLJEVSFRN-OAHLLOKOSA-N 0 3 522.440 5.700 1 0 KKAFHN CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cc(CN)ccn2)CC1 ZINC000653842103 562914895 /nfs/dbraw/zinc/91/48/95/562914895.db2.gz FPBCUKJZFMZDRA-NSJVFKKDSA-N 0 3 693.689 6.265 1 0 KKAFHN O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917620 /nfs/dbraw/zinc/91/76/20/562917620.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 0 3 505.625 5.380 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)NCC3 ZINC000085493292 565128389 /nfs/dbraw/zinc/12/83/89/565128389.db2.gz QUNLCUCOOQVXQM-NSOVKSMOSA-N 0 3 624.734 6.526 1 0 biogenic,in-vitro KKAFHN CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(OC(=O)c3ccccc3)c2CC[C@@H]1N1CCCC1 ZINC000001552227 561677529 /nfs/dbraw/zinc/67/75/29/561677529.db2.gz ZFDJNBKADYOBSV-WNJJXGMVSA-N 0 3 537.487 6.365 1 0 KKAFHN CCc1cn(CC(=O)N(CCN(CC)CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O ZINC000003842703 561683972 /nfs/dbraw/zinc/68/39/72/561683972.db2.gz RZYAVBJCTLMHKS-UHFFFAOYSA-N 0 3 654.774 7.294 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000003842931 561684169 /nfs/dbraw/zinc/68/41/69/561684169.db2.gz OQHPRXYGKQHOKG-UHFFFAOYSA-N 0 3 687.285 6.690 1 0 KKAFHN CCN(CC)CCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000003915813 561684948 /nfs/dbraw/zinc/68/49/48/561684948.db2.gz PNNPNHLEFUOCGE-UHFFFAOYSA-N 0 3 570.813 6.979 1 0 KKAFHN COc1ccccc1CNCCNC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1 ZINC000003921616 561685774 /nfs/dbraw/zinc/68/57/74/561685774.db2.gz ARDKXDPBRYTTRZ-AREMUKBSSA-N 0 3 661.647 6.083 1 0 KKAFHN CCS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000003937998 561688753 /nfs/dbraw/zinc/68/87/53/561688753.db2.gz DOWMHKGEUBGVCN-UHFFFAOYSA-N 0 3 531.674 6.663 1 0 KKAFHN CS(=O)(=O)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000003937996 561688759 /nfs/dbraw/zinc/68/87/59/561688759.db2.gz KUWSWTJKKAYVBV-UHFFFAOYSA-N 0 3 523.676 6.334 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)C[C@@H]3c4ccccc4[NH+]=C(N4CCCCC4)N3c3ccccc3)cc2)cc1 ZINC000003949880 561690300 /nfs/dbraw/zinc/69/03/00/561690300.db2.gz TWRWYNXGPAASHN-MGBGTMOVSA-N 0 3 607.780 6.537 1 0 in-vivo KKAFHN O=C(CN1CCCC1)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000004424193 561694977 /nfs/dbraw/zinc/69/49/77/561694977.db2.gz ABRLODMDKOBAGA-UHFFFAOYSA-N 0 3 528.537 5.897 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1 ZINC000005882795 561699858 /nfs/dbraw/zinc/69/98/58/561699858.db2.gz UHYCXSGUNAWVBW-SAIUNTKASA-N 0 3 638.805 7.065 1 0 in-vivo KKAFHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596909 561706076 /nfs/dbraw/zinc/70/60/76/561706076.db2.gz DBHDWSLXZNDCJG-UHFFFAOYSA-N 0 3 622.210 6.291 1 0 KKAFHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008597382 561706205 /nfs/dbraw/zinc/70/62/05/561706205.db2.gz CUOZJWDEYZRXEB-UHFFFAOYSA-N 0 3 615.819 6.254 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479579 561715041 /nfs/dbraw/zinc/71/50/41/561715041.db2.gz OMBXIIQERBKCSZ-FAOMPSFFSA-N 0 3 506.706 6.219 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479579 561715042 /nfs/dbraw/zinc/71/50/42/561715042.db2.gz OMBXIIQERBKCSZ-FAOMPSFFSA-N 0 3 506.706 6.219 1 0 KKAFHN COc1cc(C(=O)N2CCC[C@H](N(C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000013532201 561717600 /nfs/dbraw/zinc/71/76/00/561717600.db2.gz MKNXUJQNACYJMY-SANMLTNESA-N 0 3 525.674 6.719 1 0 KKAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CN(C)Cc3ccccc3)c2=O)c1 ZINC000013553291 561718329 /nfs/dbraw/zinc/71/83/29/561718329.db2.gz XDMMCTICBNVRHD-HXUWFJFHSA-N 0 3 519.592 5.014 1 0 KKAFHN CN(C)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000013587470 561720763 /nfs/dbraw/zinc/72/07/63/561720763.db2.gz ZOPTUHMWTVWMAV-AREMUKBSSA-N 0 3 521.686 6.679 1 0 KKAFHN c1ccc2c(c1)nc1c(c2NCCCCCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000013612206 561722031 /nfs/dbraw/zinc/72/20/31/561722031.db2.gz RTNOULQZDCKIIT-UHFFFAOYSA-N 0 3 537.817 9.476 1 0 KKAFHN CNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643383 561722290 /nfs/dbraw/zinc/72/22/90/561722290.db2.gz XWSIHPCRYGDRLR-UHFFFAOYSA-N 0 3 513.469 5.698 1 0 KKAFHN C[C@@H]1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759422 561727351 /nfs/dbraw/zinc/72/73/51/561727351.db2.gz SSJMCDCGDWFBTC-DEOSSOPVSA-N 0 3 502.728 5.767 1 0 KKAFHN O=C1N(CCCCN2CCN(c3cn(-c4ccc(F)cc4)c4ccccc34)CC2)CSC12CCCCC2 ZINC000013759426 561727413 /nfs/dbraw/zinc/72/74/13/561727413.db2.gz CSGPIHKZIYRGPO-UHFFFAOYSA-N 0 3 520.718 5.908 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780467 561729182 /nfs/dbraw/zinc/72/91/82/561729182.db2.gz VRPOLMJTYHGPAL-SSHYCOHZSA-N 0 3 506.602 5.365 1 0 KKAFHN COC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834320 561734238 /nfs/dbraw/zinc/73/42/38/561734238.db2.gz ZXUHRJCMMVLGNM-UHFFFAOYSA-N 0 3 515.631 6.156 1 0 KKAFHN Fc1ccc2c(c1)nc1c(c2NCCCCCCCCNc2c3ccc(F)cc3nc3c2CCCC3)CCCC1 ZINC000014946308 561743478 /nfs/dbraw/zinc/74/34/78/561743478.db2.gz LGPLUMZTSHOAFT-UHFFFAOYSA-N 0 3 542.718 8.683 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947316 561744736 /nfs/dbraw/zinc/74/47/36/561744736.db2.gz YNGVZJKKHQZTOO-RPWUZVMVSA-N 0 3 599.650 10.049 1 0 in-vivo KKAFHN CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1 ZINC000014953469 561746634 /nfs/dbraw/zinc/74/66/34/561746634.db2.gz JIBPEZNZJOOEKR-UHFFFAOYSA-N 0 3 565.114 6.350 1 0 KKAFHN CCCC[C@H](NC[C@@H]1Cc2cccc(c2)CCCCc2cc(cc(N(CCC)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961984 561748601 /nfs/dbraw/zinc/74/86/01/561748601.db2.gz JRTACURQOKVHSE-CDZUIXILSA-N 0 3 612.881 5.003 1 0 KKAFHN CN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962951 561748744 /nfs/dbraw/zinc/74/87/44/561748744.db2.gz WKWWQXNWGMMYRC-UHFFFAOYSA-N 0 3 526.255 6.092 1 0 KKAFHN CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4cc(OCCN5CCCC5)cc(C(F)(F)F)c4)nc3c2)ccn1 ZINC000014965250 561749425 /nfs/dbraw/zinc/74/94/25/561749425.db2.gz NVUDZLHYERBWHX-UHFFFAOYSA-N 0 3 540.546 5.347 1 0 KKAFHN Oc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)nn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000014970954 561751048 /nfs/dbraw/zinc/75/10/48/561751048.db2.gz YGODQTYHFUSOPS-UHFFFAOYSA-N 0 3 550.503 6.671 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 ZINC000014970544 561751088 /nfs/dbraw/zinc/75/10/88/561751088.db2.gz FAURKORJKUNELM-CZNDPXEESA-N 0 3 601.755 5.625 1 0 KKAFHN CCNC(=O)c1noc(-c2cc(-c3ccccc3C)c(O)cc2[O-])c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974916 561752157 /nfs/dbraw/zinc/75/21/57/561752157.db2.gz JFVZYQVOCGBRSH-UHFFFAOYSA-N 0 3 511.622 6.131 1 0 KKAFHN CCN([C@@H]1CCN(C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1 ZINC000014978282 561752699 /nfs/dbraw/zinc/75/26/99/561752699.db2.gz KRUUPTAWGRLNOD-RUZDIDTESA-N 0 3 593.819 5.522 1 0 KKAFHN COc1cc(OC)c([C@H](CCN2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545734 561755969 /nfs/dbraw/zinc/75/59/69/561755969.db2.gz KOKPKPUDWNASTD-WJOKGBTCSA-N 0 3 603.763 6.887 3 0 KKAFHN COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545713 561755991 /nfs/dbraw/zinc/75/59/91/561755991.db2.gz IQNOCJOXCXCTPY-HSZRJFAPSA-N 0 3 559.659 6.121 3 0 KKAFHN COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654991 561757797 /nfs/dbraw/zinc/75/77/97/561757797.db2.gz NDPZVFGDWNTQOK-SXOMAYOGSA-N 0 3 618.771 6.245 1 0 KKAFHN COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655091 561757960 /nfs/dbraw/zinc/75/79/60/561757960.db2.gz ZDBKWMSLDSBPEF-UIOOFZCWSA-N 0 3 604.744 5.854 1 0 KKAFHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(Cc2ccc(F)cc2)CC1 ZINC000022449264 561759246 /nfs/dbraw/zinc/75/92/46/561759246.db2.gz IOYOOVIEADEXNK-JOCHJYFZSA-N 0 3 575.320 5.637 1 0 KKAFHN O[C@@H](CSCc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924713 561759568 /nfs/dbraw/zinc/75/95/68/561759568.db2.gz SVRLSZPXGSBDMH-GDLZYMKVSA-N 0 3 510.694 5.789 1 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(OCCCCCCN2CCN(C)CC2)cc1 ZINC000022925860 561759720 /nfs/dbraw/zinc/75/97/20/561759720.db2.gz RBPYUFYXKFQOOA-UHFFFAOYSA-N 0 3 509.698 6.096 1 0 KKAFHN CN(C)c1ccc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941099 561761040 /nfs/dbraw/zinc/76/10/40/561761040.db2.gz ZQBJCKIJBOEXIA-PMERELPUSA-N 0 3 522.684 5.034 1 0 KKAFHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000022941894 561761287 /nfs/dbraw/zinc/76/12/87/561761287.db2.gz SWRITPDTBCAFCK-OALUTQOASA-N 0 3 523.043 5.703 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4cccc5ccccc54)nc3n2)CC1 ZINC000023357781 561761524 /nfs/dbraw/zinc/76/15/24/561761524.db2.gz ODSISTOLPDZKMR-UHFFFAOYSA-N 0 3 615.569 6.845 1 0 KKAFHN COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 ZINC000023357778 561761673 /nfs/dbraw/zinc/76/16/73/561761673.db2.gz MEYPNOVFXMUEAG-UHFFFAOYSA-N 0 3 595.535 5.701 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)CC(C)(C)C)nc3n2)CC1 ZINC000023357784 561761763 /nfs/dbraw/zinc/76/17/63/561761763.db2.gz WRGKWGOMGXCNPV-UHFFFAOYSA-N 0 3 544.531 5.423 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Br)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008524 561765786 /nfs/dbraw/zinc/76/57/86/561765786.db2.gz SPSIJFFRJLVTRD-UHFFFAOYSA-N 0 3 705.616 7.494 1 0 KKAFHN CN(CCNC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)n1)CCN(C)CCNC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)n1 ZINC000026165130 561768901 /nfs/dbraw/zinc/76/89/01/561768901.db2.gz ACDQZGAIOXDAGN-UHFFFAOYSA-N 0 3 688.788 5.229 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166964 561769375 /nfs/dbraw/zinc/76/93/75/561769375.db2.gz RSPWHGICVNMFPG-QPPBQGQZSA-N 0 3 504.652 5.097 1 0 KKAFHN CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1C(=O)c1ccc2c(c1OC)OCO2 ZINC000026250866 561774096 /nfs/dbraw/zinc/77/40/96/561774096.db2.gz ZGTFYUUHNMVNKA-DKBARHJHSA-N 0 3 686.795 6.020 1 0 KKAFHN CN(C[C@H](CCN1CCC[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026294953 561781314 /nfs/dbraw/zinc/78/13/14/561781314.db2.gz BCMOURGLNMDTBL-LOSJGSFVSA-N 0 3 565.545 6.610 1 0 KKAFHN COc1ccc([C@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026268196 561776649 /nfs/dbraw/zinc/77/66/49/561776649.db2.gz QFOQKQPDVPKVEX-HKBQPEDESA-N 0 3 527.771 7.447 1 0 KKAFHN COc1ccc([C@@H](CCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026274488 561777885 /nfs/dbraw/zinc/77/78/85/561777885.db2.gz ADNUKJKNFPTGRR-MGBGTMOVSA-N 0 3 549.777 7.872 1 0 KKAFHN CCCN(C(=O)N[C@@H](C)c1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500151 561795249 /nfs/dbraw/zinc/79/52/49/561795249.db2.gz ULYSBKOLJAVXSU-IZEXYCQBSA-N 0 3 590.834 6.128 1 0 KKAFHN C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 ZINC000026578012 561802603 /nfs/dbraw/zinc/80/26/03/561802603.db2.gz YMLWABRCWIGFAK-FGZHOGPDSA-N 0 3 532.506 7.437 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026580173 561805604 /nfs/dbraw/zinc/80/56/04/561805604.db2.gz QSVIUQSRMGIJPZ-FEERPNRMSA-N 0 3 528.784 5.049 1 0 KKAFHN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCN(C)C)C1 ZINC000026646427 561807553 /nfs/dbraw/zinc/80/75/53/561807553.db2.gz QBEMOEIRUZZYTR-HKBQPEDESA-N 0 3 592.829 5.753 1 0 KKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000026657047 561809522 /nfs/dbraw/zinc/80/95/22/561809522.db2.gz HZUQKHSZVBGHLH-IZZNHLLZSA-N 0 3 510.465 5.275 1 0 KKAFHN COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000026660710 561810376 /nfs/dbraw/zinc/81/03/76/561810376.db2.gz AYBYDZGKZJGCDX-LBNVMWSVSA-N 0 3 538.132 5.919 1 0 KKAFHN Cc1nc2sccn2c(=O)c1CCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026668704 561811781 /nfs/dbraw/zinc/81/17/81/561811781.db2.gz BZFNKUVKRNSKNV-RSXGOPAZSA-N 0 3 523.077 5.294 1 0 KKAFHN Cc1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026674112 561813324 /nfs/dbraw/zinc/81/33/24/561813324.db2.gz NUUXFRVGZFYRQH-VOLSFDEHSA-N 0 3 621.674 8.318 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674617 561813622 /nfs/dbraw/zinc/81/36/22/561813622.db2.gz XHIAYAAKBSHSOX-PGUFJCEWSA-N 0 3 596.728 5.358 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccc(OC)c(OC)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026716034 561814024 /nfs/dbraw/zinc/81/40/24/561814024.db2.gz OEJHRMYSNOPXGZ-RWYGWLOXSA-N 0 3 728.887 5.885 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000026716038 561814076 /nfs/dbraw/zinc/81/40/76/561814076.db2.gz LQNLNHOIPAAEJI-VQJSHJPSSA-N 0 3 705.831 6.413 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026720548 561815073 /nfs/dbraw/zinc/81/50/73/561815073.db2.gz BSVGNAQMDXJFNE-PGUFJCEWSA-N 0 3 665.618 6.664 1 0 KKAFHN CN(C)CCN(C)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026724287 561815652 /nfs/dbraw/zinc/81/56/52/561815652.db2.gz HUUSVDCCWNOULF-UHFFFAOYSA-N 0 3 509.098 5.050 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026724920 561815783 /nfs/dbraw/zinc/81/57/83/561815783.db2.gz ADZSGFZICHOKOJ-LDLOPFEMSA-N 0 3 668.835 5.868 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026728229 561816292 /nfs/dbraw/zinc/81/62/92/561816292.db2.gz BNKGLONSJXLHNY-RVLOQZQWSA-N 0 3 520.629 5.152 1 0 KKAFHN CC(C)c1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000026736172 561817485 /nfs/dbraw/zinc/81/74/85/561817485.db2.gz XQVCGASSCXKYEN-UHFFFAOYSA-N 0 3 501.077 5.437 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@@](C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026835867 561824371 /nfs/dbraw/zinc/82/43/71/561824371.db2.gz YQCQEQGDXWNQQT-BYYXFNHRSA-N 0 3 670.254 6.755 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 ZINC000026843057 561826094 /nfs/dbraw/zinc/82/60/94/561826094.db2.gz BQRVLHNYCPOZSY-ZBWWXOROSA-N 0 3 621.782 5.928 1 0 KKAFHN COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 ZINC000026850561 561827137 /nfs/dbraw/zinc/82/71/37/561827137.db2.gz XVOCHVRQMXWEQB-UHFFFAOYSA-N 0 3 600.756 6.380 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026960642 561829683 /nfs/dbraw/zinc/82/96/83/561829683.db2.gz IKTCQXBLEMUSIF-RDPSFJRHSA-N 0 3 545.558 5.408 1 0 KKAFHN CCOC(=O)C1C(C)=NC(=S)N(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026969470 561830336 /nfs/dbraw/zinc/83/03/36/561830336.db2.gz DTZAAXDHXCAIEY-HOGKFDNTSA-N 0 3 535.588 5.883 1 0 KKAFHN Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(C[NH2+]Cc4cc(=O)[n-]c(=O)[nH]4)CC3)o1)C(C)(C)CCC2(C)C ZINC000027082578 561835456 /nfs/dbraw/zinc/83/54/56/561835456.db2.gz WMOPKFGSRKWBOI-UHFFFAOYSA-N 0 3 574.766 5.230 1 0 KKAFHN COc1ccc([S@@](=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 ZINC000027095349 561837829 /nfs/dbraw/zinc/83/78/29/561837829.db2.gz RECCLQSOJLZNGQ-TUBISRQQSA-N 0 3 616.824 6.164 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108517 561840887 /nfs/dbraw/zinc/84/08/87/561840887.db2.gz HVQORTSVHNWKTB-SSEXGKCCSA-N 0 3 679.306 5.419 1 0 KKAFHN CCN(CC)CCO/N=C1\C=C[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]32)C1(C)C ZINC000027410511 561856292 /nfs/dbraw/zinc/85/62/92/561856292.db2.gz KPLRMIZYYDOWGI-BVGPPCAOSA-N 0 3 550.784 7.384 1 0 KKAFHN O=C(c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000027440946 561860697 /nfs/dbraw/zinc/86/06/97/561860697.db2.gz OLQNPCDTUVACCH-MGBGTMOVSA-N 0 3 589.648 5.737 1 0 KKAFHN O=C(CCN(Cc1ccccc1)Cc1ccccc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027441751 561860810 /nfs/dbraw/zinc/86/08/10/561860810.db2.gz OIYKMXFSNDBSER-DIPNUNPCSA-N 0 3 681.325 6.941 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)nc3)cc1)CC2 ZINC000027655226 561877258 /nfs/dbraw/zinc/87/72/58/561877258.db2.gz HKFOOHUJNPTUOS-UHFFFAOYSA-N 0 3 550.659 5.513 1 0 KKAFHN OCCCN(CCN(Cc1ccccc1)Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1)Cc1ccccc1 ZINC000027844197 561885408 /nfs/dbraw/zinc/88/54/08/561885408.db2.gz NNVBKPALZBJMDB-UHFFFAOYSA-N 0 3 598.835 7.171 1 0 KKAFHN COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)CN)cc2)ccc1CN1CCCC1 ZINC000027860701 561887006 /nfs/dbraw/zinc/88/70/06/561887006.db2.gz OFQKPOKHNFJIMX-UHFFFAOYSA-N 0 3 501.652 5.366 1 0 KKAFHN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)NCCN(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027871391 561888352 /nfs/dbraw/zinc/88/83/52/561888352.db2.gz PGHIPIGOJWYVSA-AJGLSPHZSA-N 0 3 556.876 7.398 1 0 KKAFHN CN1CCN(C2CCN(C(=O)c3ccc4n3Cc3ccccc3N(C(=O)c3ccc(NC(=O)c5ccccc5-c5ccccc5)cc3Cl)C4)CC2)CC1 ZINC000027871511 561888423 /nfs/dbraw/zinc/88/84/23/561888423.db2.gz UHNJWHQAMVHFMQ-UHFFFAOYSA-N 0 3 727.309 7.122 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027993759 561893459 /nfs/dbraw/zinc/89/34/59/561893459.db2.gz UVIXQCOSONGMSQ-UMSFTDKQSA-N 0 3 654.591 5.398 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027998931 561894286 /nfs/dbraw/zinc/89/42/86/561894286.db2.gz JROZJKNRDPMAJA-HKBQPEDESA-N 0 3 616.542 5.113 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028006848 561895601 /nfs/dbraw/zinc/89/56/01/561895601.db2.gz WYTXVYFAHIKUPX-YTTGMZPUSA-N 0 3 579.162 7.260 1 0 KKAFHN COc1ccc(OCCCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028090959 561899929 /nfs/dbraw/zinc/89/99/29/561899929.db2.gz BMKMLQSUONUBTC-PSXMRANNSA-N 0 3 633.855 6.669 1 0 KKAFHN CN1CCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028092045 561900098 /nfs/dbraw/zinc/90/00/98/561900098.db2.gz FIXOUFMNZULNKP-UHFFFAOYSA-N 0 3 560.485 6.312 1 0 KKAFHN O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028115010 561903677 /nfs/dbraw/zinc/90/36/77/561903677.db2.gz OYBDEFVUQBRAKV-DEOSSOPVSA-N 0 3 543.461 6.825 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000028217951 561907025 /nfs/dbraw/zinc/90/70/25/561907025.db2.gz NLKHDWGHJGIYPF-UHFFFAOYSA-N 0 3 702.719 6.755 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028242997 561910623 /nfs/dbraw/zinc/91/06/23/561910623.db2.gz RCISFYDBGIFBSU-JLHYYAGUSA-N 0 3 558.520 6.069 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028235872 561909643 /nfs/dbraw/zinc/90/96/43/561909643.db2.gz WPQUSTXDJJWMBZ-LXLYTFERSA-N 0 3 524.696 6.359 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028235872 561909644 /nfs/dbraw/zinc/90/96/44/561909644.db2.gz WPQUSTXDJJWMBZ-LXLYTFERSA-N 0 3 524.696 6.359 1 0 KKAFHN CO[P@@](=O)(CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236796 561909786 /nfs/dbraw/zinc/90/97/86/561909786.db2.gz RPBLAMOSILDGGB-UUABLTJASA-N 0 3 556.659 5.447 1 0 KKAFHN CO[P@@](=O)(CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236796 561909787 /nfs/dbraw/zinc/90/97/87/561909787.db2.gz RPBLAMOSILDGGB-UUABLTJASA-N 0 3 556.659 5.447 1 0 KKAFHN COc1cc2c(cc1OCCCCCOc1ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028386488 561921252 /nfs/dbraw/zinc/92/12/52/561921252.db2.gz XDNDFQOESJDNTO-MHZLTWQESA-N 0 3 622.770 5.939 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@@]2(C)N)CC1 ZINC000028458877 561924641 /nfs/dbraw/zinc/92/46/41/561924641.db2.gz NMZQXNVSJCWFFD-PCJZJSDKSA-N 0 3 635.293 5.908 1 0 KKAFHN CC(C)c1ccc(-n2c3ccccc3n3c(CN(CC4CC4)CC4CC4)c(C(F)(F)F)nc32)c(Br)c1 ZINC000028468736 561926623 /nfs/dbraw/zinc/92/66/23/561926623.db2.gz BKKXITYDRZGGKR-UHFFFAOYSA-N 0 3 559.474 7.805 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C[C@H]2N)CC1 ZINC000028464412 561926072 /nfs/dbraw/zinc/92/60/72/561926072.db2.gz XLDGDUSCVKLZIR-JFHPUIQFSA-N 0 3 621.266 5.213 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc4ccc(C(F)(F)F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028521109 561929242 /nfs/dbraw/zinc/92/92/42/561929242.db2.gz IXLAACMWTDRWNI-HUROMRQRSA-N 0 3 572.647 6.031 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc4ccc(C(F)(F)F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028521109 561929243 /nfs/dbraw/zinc/92/92/43/561929243.db2.gz IXLAACMWTDRWNI-HUROMRQRSA-N 0 3 572.647 6.031 1 0 KKAFHN CCN1[C@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@@H]1C ZINC000028522351 561929575 /nfs/dbraw/zinc/92/95/75/561929575.db2.gz QKCBSVCHRGFMBU-PSWAGMNNSA-N 0 3 534.704 6.341 1 0 KKAFHN CC(=O)NCCCCCc1csc(Cc2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4ccccc4)cc3)cc2)n1 ZINC000028523429 561930093 /nfs/dbraw/zinc/93/00/93/561930093.db2.gz VQOAYUJCYISDCB-YTTGMZPUSA-N 0 3 620.841 5.249 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(CCc2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000028524098 561930764 /nfs/dbraw/zinc/93/07/64/561930764.db2.gz JJGWWEDESAXGQO-QNGWXLTQSA-N 0 3 647.866 7.339 1 0 KKAFHN O=C(Nc1ccccc1NC(=O)c1ccc(I)cc1)OCC1CCN(c2ccncc2)CC1 ZINC000028525688 561931517 /nfs/dbraw/zinc/93/15/17/561931517.db2.gz QLRMGNJTVYDLFP-UHFFFAOYSA-N 0 3 556.404 5.404 1 0 KKAFHN COc1cccc(-c2ccccc2)c1CCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646364 561945157 /nfs/dbraw/zinc/94/51/57/561945157.db2.gz QQIBGMDABOGKGQ-UMSFTDKQSA-N 0 3 558.786 5.819 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 ZINC000028636654 561941402 /nfs/dbraw/zinc/94/14/02/561941402.db2.gz CIXYXKBZBPULRJ-MGBGTMOVSA-N 0 3 612.782 6.277 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646113 561944778 /nfs/dbraw/zinc/94/47/78/561944778.db2.gz HACIOHWUGCOLEL-JGCGQSQUSA-N 0 3 502.722 5.298 1 0 KKAFHN CCOc1ccc2ccccc2c1CCCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646269 561944909 /nfs/dbraw/zinc/94/49/09/561944909.db2.gz SWWNCLLHMVBWRH-UUWRZZSWSA-N 0 3 560.802 6.085 1 0 KKAFHN COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028709296 561950653 /nfs/dbraw/zinc/95/06/53/561950653.db2.gz HUGPOKQFPMHWDN-DHUJRADRSA-N 0 3 580.750 6.932 1 0 KKAFHN COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028709298 561950685 /nfs/dbraw/zinc/95/06/85/561950685.db2.gz HUGPOKQFPMHWDN-PGUFJCEWSA-N 0 3 580.750 6.932 1 0 KKAFHN O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c43)[C@@H]3Oc4c6c(ccc4O)C[C@H]4N(CC7CC7)CC[C@]63[C@@]4(O)C5)cc2cc1C=O ZINC000028709958 561950878 /nfs/dbraw/zinc/95/08/78/561950878.db2.gz FAAITYPIDMPBCP-GSMBKCQZSA-N 0 3 639.708 5.603 1 0 KKAFHN CCS(=O)(=O)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028710085 561950983 /nfs/dbraw/zinc/95/09/83/561950983.db2.gz QQOLSZOGLJIRPW-UHFFFAOYSA-N 0 3 537.703 6.725 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 ZINC000028702879 561947527 /nfs/dbraw/zinc/94/75/27/561947527.db2.gz RXCQOSUDONGEDG-HSZRJFAPSA-N 0 3 555.588 6.850 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccccc5)cc4)CC3)C2=O)c1 ZINC000028704516 561948724 /nfs/dbraw/zinc/94/87/24/561948724.db2.gz QJRUNBLNDIRCPC-UHFFFAOYSA-N 0 3 549.646 6.505 1 0 KKAFHN Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000028711927 561952629 /nfs/dbraw/zinc/95/26/29/561952629.db2.gz MNVDKXPJRHTVKG-OAQYLSRUSA-N 0 3 540.029 7.357 1 0 KKAFHN O=C(CCCC1CCCCC1)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714038 561954453 /nfs/dbraw/zinc/95/44/53/561954453.db2.gz LTHJCBUGWYKFRA-UHFFFAOYSA-N 0 3 514.158 5.565 1 0 KKAFHN O=C(c1ccccc1)N1CCC[C@@](CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028764601 561959117 /nfs/dbraw/zinc/95/91/17/561959117.db2.gz ODPRNYGWGVRXIG-MGBGTMOVSA-N 0 3 591.583 6.928 1 0 KKAFHN c1ccc(C(c2ccccc2)N2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)cc1 ZINC000028816175 561963949 /nfs/dbraw/zinc/96/39/49/561963949.db2.gz FMGHYAOOIORXPJ-XRSDMRJBSA-N 0 3 610.798 8.391 1 0 KKAFHN CN1CCN(CCCOc2ccc(C3O[C@@H](c4ccccc4Cl)[C@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000028816250 561964086 /nfs/dbraw/zinc/96/40/86/561964086.db2.gz ONCHPBKAGOWLIQ-NSOVKSMOSA-N 0 3 527.492 6.538 1 0 KKAFHN O=C(OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028816498 561964207 /nfs/dbraw/zinc/96/42/07/561964207.db2.gz YQXKNZRDPZBYEE-IAPPQJPRSA-N 0 3 560.160 5.711 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824063 561968844 /nfs/dbraw/zinc/96/88/44/561968844.db2.gz AOLMHZJVJOCHOG-VJGNERBWSA-N 0 3 623.160 6.704 1 0 KKAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)CN2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824385 561969541 /nfs/dbraw/zinc/96/95/41/561969541.db2.gz ITKWRYRBGWDEBC-QHCPKHFHSA-N 0 3 636.737 5.481 1 0 KKAFHN CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCCN3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028871047 561974208 /nfs/dbraw/zinc/97/42/08/561974208.db2.gz CIWCIWKIJLDSKT-SLGZMBILSA-N 0 3 562.762 5.278 1 0 KKAFHN CCCCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874914 561975437 /nfs/dbraw/zinc/97/54/37/561975437.db2.gz RHXCECMKFJHNGV-GDLZYMKVSA-N 0 3 550.744 5.167 1 0 KKAFHN c1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCC5)cc4)c(-c4ccccc4)c32)cc1 ZINC000028879358 561976270 /nfs/dbraw/zinc/97/62/70/561976270.db2.gz CYXPHNZJEDAZDD-UHFFFAOYSA-N 0 3 504.634 6.686 1 0 in-vitro KKAFHN O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000028879335 561976274 /nfs/dbraw/zinc/97/62/74/561976274.db2.gz OQRTUCNCZGBLPM-URLMMPGGSA-N 0 3 622.178 6.522 1 0 KKAFHN CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000028895423 561978877 /nfs/dbraw/zinc/97/88/77/561978877.db2.gz XNOFLDGSSUCALL-LJAQVGFWSA-N 0 3 554.156 5.202 1 0 KKAFHN CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)c2ccccc2)c1 ZINC000028968360 561985466 /nfs/dbraw/zinc/98/54/66/561985466.db2.gz OBKDIQQFGPQSMU-SFYOCGBSSA-N 0 3 653.823 7.100 1 0 KKAFHN CNCC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039288 561989657 /nfs/dbraw/zinc/98/96/57/561989657.db2.gz JMBVWYXHFDLVMV-ZNZIZOMTSA-N 0 3 611.174 5.577 1 0 KKAFHN CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)c[n+]([O-])cc2Cl)CC1 ZINC000029040897 561990751 /nfs/dbraw/zinc/99/07/51/561990751.db2.gz HGTYPLBMQNPFRJ-UHFFFAOYSA-N 0 3 540.495 5.319 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4c[nH]cn4)c3=O)CC2)C(C)C)c1 ZINC000029063884 561996279 /nfs/dbraw/zinc/99/62/79/561996279.db2.gz GTBORSPXGZQYLC-NDEPHWFRSA-N 0 3 517.674 5.022 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cnc[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029063884 561996280 /nfs/dbraw/zinc/99/62/80/561996280.db2.gz GTBORSPXGZQYLC-NDEPHWFRSA-N 0 3 517.674 5.022 1 0 KKAFHN CC(C)(N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125403 561997431 /nfs/dbraw/zinc/99/74/31/561997431.db2.gz HMWOQAVOVSHPHU-UHFFFAOYSA-N 0 3 544.866 5.850 1 0 KKAFHN C[C@@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125347 561997462 /nfs/dbraw/zinc/99/74/62/561997462.db2.gz ASQPNMCVHWLECS-OAHLLOKOSA-N 0 3 530.839 5.460 1 0 KKAFHN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCN3CCCCC3)C2)cc1 ZINC000029127805 562000246 /nfs/dbraw/zinc/00/02/46/562000246.db2.gz PVLDWGPAFHHLQK-UUWRZZSWSA-N 0 3 606.808 5.832 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)cc3oc2=O)cc1 ZINC000029131498 562003212 /nfs/dbraw/zinc/00/32/12/562003212.db2.gz ILLXXNMTJSHHII-GZTJUZNOSA-N 0 3 627.568 7.997 1 0 KKAFHN COc1c2ccccc2c(OC)c(C(F)(F)F)c1CN(CCNc1ccnc2cc(Cl)ccc21)CC(C)(C)C ZINC000029135629 562004452 /nfs/dbraw/zinc/00/44/52/562004452.db2.gz XTXHGMBUVKGTLW-UHFFFAOYSA-N 0 3 560.060 8.038 1 0 KKAFHN COc1c2ccccc2c(OC)c(C(F)(F)F)c1CN(CCNc1ccnc2cc(Cl)ccc21)CC(C)C ZINC000029135631 562004556 /nfs/dbraw/zinc/00/45/56/562004556.db2.gz JXKZNEWAURNXKD-UHFFFAOYSA-N 0 3 546.033 7.648 1 0 KKAFHN CCOC(=O)C1=C(COCCN(C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029405649 562020540 /nfs/dbraw/zinc/02/05/40/562020540.db2.gz ZZNMZUHUNNQAKO-HEBMYIDGSA-N 0 3 513.034 5.280 1 0 KKAFHN COc1cc(C(=O)N2CCOC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029400140 562019651 /nfs/dbraw/zinc/01/96/51/562019651.db2.gz RWSBBXFLRGQFQP-PWOKGZDBSA-N 0 3 673.659 6.031 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(-c2ccccc2)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000029401875 562019832 /nfs/dbraw/zinc/01/98/32/562019832.db2.gz NIRJRFMFYPGFAN-UHFFFAOYSA-N 0 3 533.693 8.037 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCN(CCNc1ccnc2cc(Cl)ccc21)Cc1ccnc2ccccc12 ZINC000029402297 562019929 /nfs/dbraw/zinc/01/99/29/562019929.db2.gz CEEYGGCIQNKBLA-UHFFFAOYSA-N 0 3 567.524 7.664 1 0 KKAFHN COc1ccc(-c2sc3c(cc(OC)c(OC)c3OC)c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000029403776 562020241 /nfs/dbraw/zinc/02/02/41/562020241.db2.gz GTCNWCUEUWBDKF-UHFFFAOYSA-N 0 3 561.700 6.698 1 0 KKAFHN O=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029480753 562027273 /nfs/dbraw/zinc/02/72/73/562027273.db2.gz IXZUHVMWFUDEHG-UHFFFAOYSA-N 0 3 544.568 5.940 1 0 KKAFHN CCCN1c2ccccc2C(CCc2ccccc2)=N[C@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)C1=O ZINC000029481026 562027345 /nfs/dbraw/zinc/02/73/45/562027345.db2.gz VLIFIGMDNURHMV-UUWRZZSWSA-N 0 3 601.755 5.735 1 0 KKAFHN O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029482782 562027621 /nfs/dbraw/zinc/02/76/21/562027621.db2.gz DMJZDEHTOOYGRV-UHFFFAOYSA-N 0 3 530.663 6.044 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000034038686 562038074 /nfs/dbraw/zinc/03/80/74/562038074.db2.gz RCZXTMTXMHGQDY-HUUCEWRRSA-N 0 3 501.077 5.399 1 0 KKAFHN COc1cc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1C(C)=O ZINC000034289883 562038729 /nfs/dbraw/zinc/03/87/29/562038729.db2.gz ZEBXFCFWCGBFOZ-UHFFFAOYSA-N 0 3 509.593 5.593 1 0 KKAFHN CCOc1ccccc1N1CCN(CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000034801018 562041104 /nfs/dbraw/zinc/04/11/04/562041104.db2.gz DXWCMCSDQPQJSF-UHFFFAOYSA-N 0 3 538.736 6.543 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160532 562048517 /nfs/dbraw/zinc/04/85/17/562048517.db2.gz VTGXHIKOJDKECN-CQTOTRCISA-N 0 3 610.843 7.833 1 0 KKAFHN O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000036161718 562048948 /nfs/dbraw/zinc/04/89/48/562048948.db2.gz IQPWKAIEQBOLPJ-ACHIHNKUSA-N 0 3 583.754 5.875 1 0 KKAFHN CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1 ZINC000035803246 562045393 /nfs/dbraw/zinc/04/53/93/562045393.db2.gz ZSCCDIZJMUBHJP-DEOSSOPVSA-N 0 3 532.651 5.205 1 0 KKAFHN CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@H](C3CC4(CC4)C3)NC[C@@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080057 562046161 /nfs/dbraw/zinc/04/61/61/562046161.db2.gz RUCJIIMIRGBHTE-RCZVLFRGSA-N 0 3 578.157 5.944 1 0 KKAFHN CCN(CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3CN2C)CC1 ZINC000036284689 562053385 /nfs/dbraw/zinc/05/33/85/562053385.db2.gz CXNCKVKDTNIURI-CKOYEXALSA-N 0 3 634.240 5.311 1 0 KKAFHN CC[C@@H](C)[C@H](NCc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285485 562054200 /nfs/dbraw/zinc/05/42/00/562054200.db2.gz BRQIREOLULHPMR-UVDDSOTQSA-N 0 3 606.560 8.171 1 0 KKAFHN N[C@@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285567 562054240 /nfs/dbraw/zinc/05/42/40/562054240.db2.gz CUIHSBFDWJIEDC-SANMLTNESA-N 0 3 530.471 5.631 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285657 562054375 /nfs/dbraw/zinc/05/43/75/562054375.db2.gz MDILXNNIHAYREB-NRFANRHFSA-N 0 3 502.408 5.949 1 0 KKAFHN CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)CN)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331663 562056844 /nfs/dbraw/zinc/05/68/44/562056844.db2.gz VNNMDAONTZQHMG-UHFFFAOYSA-N 0 3 628.745 6.424 1 0 KKAFHN CCCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338821 562057232 /nfs/dbraw/zinc/05/72/32/562057232.db2.gz IQDKZLHBQUEUDC-UHFFFAOYSA-N 0 3 554.764 6.209 1 0 KKAFHN CCCN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338821 562057234 /nfs/dbraw/zinc/05/72/34/562057234.db2.gz IQDKZLHBQUEUDC-UHFFFAOYSA-N 0 3 554.764 6.209 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1cccc(Cl)c1 ZINC000036338822 562057285 /nfs/dbraw/zinc/05/72/85/562057285.db2.gz MSHIDVJWNMVTDI-UHFFFAOYSA-N 0 3 547.128 5.774 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1cccc(Cl)c1 ZINC000036338822 562057287 /nfs/dbraw/zinc/05/72/87/562057287.db2.gz MSHIDVJWNMVTDI-UHFFFAOYSA-N 0 3 547.128 5.774 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000036338827 562057306 /nfs/dbraw/zinc/05/73/06/562057306.db2.gz QWGVEQIQNCTOIQ-UHFFFAOYSA-N 0 3 547.128 5.774 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000036338827 562057308 /nfs/dbraw/zinc/05/73/08/562057308.db2.gz QWGVEQIQNCTOIQ-UHFFFAOYSA-N 0 3 547.128 5.774 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5C(F)(F)F)s4)n[nH]c2-3)CC1 ZINC000036338880 562057484 /nfs/dbraw/zinc/05/74/84/562057484.db2.gz OLXWFZOBAFYNHM-UHFFFAOYSA-N 0 3 566.653 5.797 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)s2)CC1 ZINC000036338880 562057486 /nfs/dbraw/zinc/05/74/86/562057486.db2.gz OLXWFZOBAFYNHM-UHFFFAOYSA-N 0 3 566.653 5.797 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000036349200 562057853 /nfs/dbraw/zinc/05/78/53/562057853.db2.gz BZNFETDRGVQWBQ-SSEXGKCCSA-N 0 3 559.718 5.406 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000036349204 562057881 /nfs/dbraw/zinc/05/78/81/562057881.db2.gz REABAAMVKCLEJA-GDLZYMKVSA-N 0 3 545.691 5.212 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@H]4C[C@@]4(c4ccc(C(C)(C)C)cc4)C3)n2C)n1 ZINC000036436376 562060706 /nfs/dbraw/zinc/06/07/06/562060706.db2.gz DRKUAUJUSZGTGW-XJFCNFDWSA-N 0 3 511.739 6.392 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C ZINC000036774665 562061618 /nfs/dbraw/zinc/06/16/18/562061618.db2.gz AYLQFSBXZTZHLQ-JUXBJYJVSA-N 0 3 711.956 5.016 1 0 KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156576 562068458 /nfs/dbraw/zinc/06/84/58/562068458.db2.gz CWCAJAZCCFEQBH-UHFFFAOYSA-N 0 3 566.570 6.371 1 0 KKAFHN CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157515 562069318 /nfs/dbraw/zinc/06/93/18/562069318.db2.gz VLRKCLYSNVDLNZ-LGGPFLRQSA-N 0 3 572.768 5.052 1 0 KKAFHN CS(=O)(=O)c1cccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CCN(CC4CC4)CC3)cc2)c1 ZINC000038157851 562069562 /nfs/dbraw/zinc/06/95/62/562069562.db2.gz XEGVCTLTXFUGRJ-UHFFFAOYSA-N 0 3 583.651 7.099 1 0 KKAFHN Cc1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n[nH]1 ZINC000040402948 562074766 /nfs/dbraw/zinc/07/47/66/562074766.db2.gz JLMNPTOCKBOBJT-UHFFFAOYSA-N 0 3 528.018 7.494 1 0 KKAFHN OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000040505384 562077622 /nfs/dbraw/zinc/07/76/22/562077622.db2.gz NNNBJWOCCJDIEY-UHFFFAOYSA-N 0 3 513.628 7.049 1 0 KKAFHN CC(C)(C)C(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505664 562077661 /nfs/dbraw/zinc/07/76/61/562077661.db2.gz JPQSLPVHQYVMHW-UHFFFAOYSA-N 0 3 521.648 6.611 1 0 KKAFHN COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C(C)C)CC1 ZINC000040565490 562077877 /nfs/dbraw/zinc/07/78/77/562077877.db2.gz VBEOBBGCDHWKJI-JOCHJYFZSA-N 0 3 505.486 6.269 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CC[C@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040791357 562079861 /nfs/dbraw/zinc/07/98/61/562079861.db2.gz YTOSPVJBQKTTEV-JOCHJYFZSA-N 0 3 509.593 5.593 1 0 KKAFHN CCN(CCNC(=O)c1ccc(F)cc1NCc1ccccc1)CCNc1ccnc2cc(Cl)ccc21 ZINC000040862890 562080948 /nfs/dbraw/zinc/08/09/48/562080948.db2.gz JWOZUTXAMBCXAP-UHFFFAOYSA-N 0 3 520.052 5.803 1 0 KKAFHN COc1cc2c3c(c1O)Oc1ccc(cc1)[C@@H]1c4cc(c(OC)cc4CCN1C)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000085491794 560075238 /nfs/dbraw/zinc/07/52/38/560075238.db2.gz PRLJUWXUXSJRDU-UTONBFNKSA-N 0 3 580.681 6.362 1 0 biogenic,in-vitro KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1c[nH]cn1)c1ccccc1 ZINC000043079428 562645821 /nfs/dbraw/zinc/64/58/21/562645821.db2.gz ZMTJXLBSJWMAHF-NDEPHWFRSA-N 0 3 521.587 5.727 1 0 KKAFHN Cn1cc(NC(=O)c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1C(=O)NCCN1CCCCC1 ZINC000043119922 562646048 /nfs/dbraw/zinc/64/60/48/562646048.db2.gz XEONIDMTFCFQEX-UHFFFAOYSA-N 0 3 534.660 5.391 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC000043122348 562646196 /nfs/dbraw/zinc/64/61/96/562646196.db2.gz LWYNHLQFGJBUEK-SANMLTNESA-N 0 3 530.635 5.102 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccoc4)c3Cl)c2n1 ZINC000043524282 562648984 /nfs/dbraw/zinc/64/89/84/562648984.db2.gz QKQSOIOSXUVBIS-UHFFFAOYSA-N 0 3 619.571 5.375 1 0 KKAFHN COc1cc(-n2cnc3cc(-c4cccc(I)c4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000043543819 562649464 /nfs/dbraw/zinc/64/94/64/562649464.db2.gz OIQBXTYXPJQSIQ-UHFFFAOYSA-N 0 3 573.456 5.202 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccc(F)cc1 ZINC000044281303 562653094 /nfs/dbraw/zinc/65/30/94/562653094.db2.gz YVLNUDNIGUMCIQ-UHFFFAOYSA-N 0 3 555.654 5.252 1 0 KKAFHN O=C(CCCc1ccccc1)O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044305085 562653356 /nfs/dbraw/zinc/65/33/56/562653356.db2.gz QQNVIMGZEUSMBJ-DIPNUNPCSA-N 0 3 611.777 7.808 1 0 KKAFHN COc1cc2c3c(c1[O-])Oc1cc4c(cc1O)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH2+]CC3 ZINC000044305474 562653454 /nfs/dbraw/zinc/65/34/54/562653454.db2.gz BRQSKXOKBNZMFR-SVBPBHIXSA-N 0 3 566.654 5.911 1 0 KKAFHN CN(C)CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1 ZINC000044306157 562653675 /nfs/dbraw/zinc/65/36/75/562653675.db2.gz CRQMAEDPCQSZBK-UHFFFAOYSA-N 0 3 585.665 6.127 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000044308069 562654220 /nfs/dbraw/zinc/65/42/20/562654220.db2.gz XFEYXKJPGONJJO-UHFFFAOYSA-N 0 3 623.729 5.543 1 0 KKAFHN CCN1CCN(CCCOc2cc3nccc(Oc4ccc(-c5cnc(Cc6ccccc6)n(C)c5=O)cc4F)c3cc2OC)CC1 ZINC000044351040 562654460 /nfs/dbraw/zinc/65/44/60/562654460.db2.gz BJLCYGZYAODRFD-UHFFFAOYSA-N 0 3 637.756 5.933 1 0 KKAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000044351438 562654700 /nfs/dbraw/zinc/65/47/00/562654700.db2.gz YXEKTZFDSSZQIH-UHFFFAOYSA-N 0 3 565.077 5.131 1 0 KKAFHN CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360953 562655658 /nfs/dbraw/zinc/65/56/58/562655658.db2.gz JLIFFPLWLAEVIL-PIKZIKFNSA-N 0 3 544.567 6.285 1 0 KKAFHN COc1cccc2c(-c3ccc4c(c3OCc3ccc(C(F)(F)F)cc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000044388065 562656273 /nfs/dbraw/zinc/65/62/73/562656273.db2.gz AJTNJTGKCZMLNG-WOJBJXKFSA-N 0 3 535.606 8.025 1 0 KKAFHN C[C@@H](CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167523 562658012 /nfs/dbraw/zinc/65/80/12/562658012.db2.gz KBBTZNWIQSYFEJ-IBGZPJMESA-N 0 3 521.587 5.738 1 0 KKAFHN C[C@@H](CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167523 562658013 /nfs/dbraw/zinc/65/80/13/562658013.db2.gz KBBTZNWIQSYFEJ-IBGZPJMESA-N 0 3 521.587 5.738 1 0 KKAFHN CC(C)(C)c1ccc(C[N@@H+](C[C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1 ZINC000045191090 562658526 /nfs/dbraw/zinc/65/85/26/562658526.db2.gz RYVSTLSFXPTZIY-NRFANRHFSA-N 0 3 501.520 5.231 1 0 KKAFHN CC(C)(C)c1ccc(C[N@H+](C[C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1 ZINC000045191090 562658527 /nfs/dbraw/zinc/65/85/27/562658527.db2.gz RYVSTLSFXPTZIY-NRFANRHFSA-N 0 3 501.520 5.231 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)c1 ZINC000045191607 562658558 /nfs/dbraw/zinc/65/85/58/562658558.db2.gz DXJQOOMOBZQITE-UHFFFAOYSA-N 0 3 502.593 7.598 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)c1 ZINC000045193116 562658710 /nfs/dbraw/zinc/65/87/10/562658710.db2.gz LTOAAJSTZFSEJH-UHFFFAOYSA-N 0 3 502.593 7.598 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CCN(CC3CCCCC3)CC2)c1 ZINC000045192778 562658724 /nfs/dbraw/zinc/65/87/24/562658724.db2.gz GKGABHQKJGHRKS-UHFFFAOYSA-N 0 3 523.621 5.281 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC2CCN(CC3CCCCC3)CC2)cc1 ZINC000045194048 562658768 /nfs/dbraw/zinc/65/87/68/562658768.db2.gz LBVSWOGOLSDSKC-UHFFFAOYSA-N 0 3 523.621 5.281 1 0 KKAFHN CN1CCN(Cc2cccc(-c3ccc4c(c3)nccc4Nc3ccc(Oc4ccccc4)cc3)c2)CC1 ZINC000045231050 562659631 /nfs/dbraw/zinc/65/96/31/562659631.db2.gz XMWDOJYFQUTPJT-UHFFFAOYSA-N 0 3 500.646 7.185 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000045230210 562659663 /nfs/dbraw/zinc/65/96/63/562659663.db2.gz NTJSOYUWJIZESR-QHCPKHFHSA-N 0 3 523.621 5.281 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1I ZINC000045301630 562660527 /nfs/dbraw/zinc/66/05/27/562660527.db2.gz BHGICKWIFNESEE-UHFFFAOYSA-N 0 3 517.367 5.668 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCN2CC2CCCCC2)cc1 ZINC000045317821 562660872 /nfs/dbraw/zinc/66/08/72/562660872.db2.gz GGBHRKPDSPZDTC-QHCPKHFHSA-N 0 3 523.621 5.281 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000048307343 562663037 /nfs/dbraw/zinc/66/30/37/562663037.db2.gz BTGARQGHTCRAIZ-JUVVUYAKSA-N 0 3 581.544 6.981 1 0 KKAFHN O=C(Cc1cccs1)N[C@@H](CCCN1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307389 562663059 /nfs/dbraw/zinc/66/30/59/562663059.db2.gz CDYMPJXDLURXRZ-SANMLTNESA-N 0 3 551.967 7.432 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(CN5CCN(c6cccc(C)c6)C[C@H]5C)cc4)CC3)c2c1 ZINC000048307370 562663062 /nfs/dbraw/zinc/66/30/62/562663062.db2.gz BHJFUMAOFFPDFT-YHZWMNSLSA-N 0 3 607.799 5.190 1 0 KKAFHN c1ccc(CNCc2ccc(CN(CCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067590 562663992 /nfs/dbraw/zinc/66/39/92/562663992.db2.gz WHPDQMKLUXKLEA-SSEXGKCCSA-N 0 3 502.666 5.765 1 0 KKAFHN O=c1[n-]c(NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)ncc1Cc1ccc(Cl)c(Cl)c1 ZINC000049605050 562665264 /nfs/dbraw/zinc/66/52/64/562665264.db2.gz NRGMMFDLCMTVBH-UHFFFAOYSA-N 0 3 538.523 6.611 1 0 KKAFHN COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)NC2CCN(Cc4ccccc4)CC2)[C@@H](Cc2ccc(O)cc2)C(=O)N3)c1 ZINC000049605089 562665317 /nfs/dbraw/zinc/66/53/17/562665317.db2.gz QUNKXPWBEYCFIL-PVXQIPPMSA-N 0 3 718.895 6.223 1 0 KKAFHN O=C(NC[C@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1)C1=CCCC1 ZINC000049605092 562665338 /nfs/dbraw/zinc/66/53/38/562665338.db2.gz UJDFHIVIRUREAQ-QHCPKHFHSA-N 0 3 588.344 5.413 1 0 KKAFHN CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC[C@@H]3CCCN3C)c(Cl)c2)C1 ZINC000049605257 562665588 /nfs/dbraw/zinc/66/55/88/562665588.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 0 3 597.225 5.563 1 0 KKAFHN O=C(Nc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccccc4)o3)CC2)cc1)c1ccc(F)cc1 ZINC000049605458 562665904 /nfs/dbraw/zinc/66/59/04/562665904.db2.gz VIGKLLPPTMAXOP-UHFFFAOYSA-N 0 3 581.610 7.234 1 0 KKAFHN COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)c([O-])c3)CC2)ccc2c1CCCC2 ZINC000049605511 562665969 /nfs/dbraw/zinc/66/59/69/562665969.db2.gz UVSFOOREMMRHSJ-UHFFFAOYSA-N 0 3 547.139 6.990 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049605593 562666085 /nfs/dbraw/zinc/66/60/85/562666085.db2.gz RIFCSFHNGLZPOL-YTTGMZPUSA-N 0 3 571.589 6.641 1 0 KKAFHN O=C(COc1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049605606 562666106 /nfs/dbraw/zinc/66/61/06/562666106.db2.gz PVRBGHFNVBBGNS-UHFFFAOYSA-N 0 3 576.352 6.205 1 0 KKAFHN COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCC(c2cccc(NC(C)=O)c2)CC1 ZINC000049605650 562666138 /nfs/dbraw/zinc/66/61/38/562666138.db2.gz PQAAYGSYEMLVNK-UHFFFAOYSA-N 0 3 629.182 6.993 1 0 KKAFHN Oc1ccc(CCNc2nc(NCc3cccc(-c4cc(C(F)(F)F)ccc4Cl)c3)nc(N3CCNCC3)n2)cc1 ZINC000049605749 562666274 /nfs/dbraw/zinc/66/62/74/562666274.db2.gz ZTVACILTNPPVOF-UHFFFAOYSA-N 0 3 584.046 5.593 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605728 562666314 /nfs/dbraw/zinc/66/63/14/562666314.db2.gz FWOCVWATTUPVMG-ZCNNSNEGSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605791 562666367 /nfs/dbraw/zinc/66/63/67/562666367.db2.gz NLPYUOOSZXDDEC-SLFFLAALSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605790 562666384 /nfs/dbraw/zinc/66/63/84/562666384.db2.gz NLPYUOOSZXDDEC-ZCNNSNEGSA-N 0 3 572.364 6.586 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3)c2)CC1 ZINC000049605998 562666497 /nfs/dbraw/zinc/66/64/97/562666497.db2.gz GVMNIWVLFUQINH-UHFFFAOYSA-N 0 3 666.686 6.704 1 0 KKAFHN Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)N(C)[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625760 562666881 /nfs/dbraw/zinc/66/68/81/562666881.db2.gz DUQMUJILNSLNGH-OYRHEFFESA-N 0 3 535.648 6.548 1 0 KKAFHN Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)N(C)[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625765 562666889 /nfs/dbraw/zinc/66/68/89/562666889.db2.gz DUQMUJILNSLNGH-SFTDATJTSA-N 0 3 535.648 6.548 1 0 KKAFHN CCN(CC)Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C(C)C)c2c1 ZINC000049625995 562666953 /nfs/dbraw/zinc/66/69/53/562666953.db2.gz CVWBGWXGUSQXNH-UHFFFAOYSA-N 0 3 703.796 9.030 1 0 KKAFHN COc1cc(-n2c(CN3CCCC3)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000049626336 562667156 /nfs/dbraw/zinc/66/71/56/562667156.db2.gz AGMBCYFPCLXZEI-UHFFFAOYSA-N 0 3 565.139 5.847 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000049626701 562667308 /nfs/dbraw/zinc/66/73/08/562667308.db2.gz ZFZNQZYVMFLLBR-UHFFFAOYSA-N 0 3 552.600 8.477 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000049626674 562667330 /nfs/dbraw/zinc/66/73/30/562667330.db2.gz JYNDMWCVGRRWML-UHFFFAOYSA-N 0 3 618.851 6.925 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000049626817 562667396 /nfs/dbraw/zinc/66/73/96/562667396.db2.gz VDXKKUHLJJHUQH-WUXMJOGZSA-N 0 3 582.370 6.295 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(Cc3ccccc3)C(=O)O[C@@]21C ZINC000049637732 562667572 /nfs/dbraw/zinc/66/75/72/562667572.db2.gz UYXSXTIPTNZPII-UCOZVZGJSA-N 0 3 686.887 5.132 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)C(=O)Cn1c2ccsc2c(=O)nc1SCc1ccc(F)cc1 ZINC000049639222 562667718 /nfs/dbraw/zinc/66/77/18/562667718.db2.gz DTALLVPHYMKAAI-UHFFFAOYSA-N 0 3 683.797 7.341 1 0 KKAFHN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000049678275 562668471 /nfs/dbraw/zinc/66/84/71/562668471.db2.gz MNDIKUFVYLXDTF-UHFFFAOYSA-N 0 3 543.115 6.120 1 0 KKAFHN CC(=O)N(C)C1CCN(CC[C@@](C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049679509 562668868 /nfs/dbraw/zinc/66/88/68/562668868.db2.gz OZJDKUMSRQSURZ-HHHXNRCGSA-N 0 3 538.947 5.896 1 0 KKAFHN CN(C)CCn1cnc(C(=O)c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1 ZINC000049708572 562671005 /nfs/dbraw/zinc/67/10/05/562671005.db2.gz NXHDXFKJDNLGQF-UHFFFAOYSA-N 0 3 586.649 5.184 1 0 KKAFHN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)N[C@]32c3ccccc3N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000049710757 562671784 /nfs/dbraw/zinc/67/17/84/562671784.db2.gz RGXIFMIXXMRVPN-MNWPWMLJSA-N 0 3 683.849 7.126 1 0 KKAFHN CCCCCCOc1ccc(C(=O)N[C@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049711047 562671926 /nfs/dbraw/zinc/67/19/26/562671926.db2.gz XJMRUFRCXNEDPF-OEVOLBHTSA-N 0 3 574.593 6.757 1 0 KKAFHN CCOC(=O)c1ccc(NC(=O)N[C@@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049722760 562672511 /nfs/dbraw/zinc/67/25/11/562672511.db2.gz UGNIWKNDOCCEKX-ZCHVWDMZSA-N 0 3 561.510 5.366 1 0 KKAFHN Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C3CCN(C(C)C)CC3)c2n1 ZINC000049722791 562672548 /nfs/dbraw/zinc/67/25/48/562672548.db2.gz UQSSAAGJPYLTLH-UHFFFAOYSA-N 0 3 716.795 8.356 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)cc(=O)c2ccccc21 ZINC000049723076 562672886 /nfs/dbraw/zinc/67/28/86/562672886.db2.gz VGFAXSPCRDTLNS-UHFFFAOYSA-N 0 3 675.792 8.489 1 0 KKAFHN Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C3CCN(C)CC3)c2n1 ZINC000049723266 562673175 /nfs/dbraw/zinc/67/31/75/562673175.db2.gz POSHSLQCBNHANF-UHFFFAOYSA-N 0 3 688.741 7.577 1 0 KKAFHN O=C([C@H]1COc2ccccc2O1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049745395 562673850 /nfs/dbraw/zinc/67/38/50/562673850.db2.gz LALWPXBJMSLKPS-WJOKGBTCSA-N 0 3 579.726 5.555 1 0 KKAFHN Cc1cc(CNC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)oc1C ZINC000049745699 562673997 /nfs/dbraw/zinc/67/39/97/562673997.db2.gz RSQLXGHJDNEGTM-JOCHJYFZSA-N 0 3 602.371 6.013 1 0 KKAFHN CC(C)c1ccc(C(=O)C[C@@H](NCCCCCCCCN[C@H](CC(=O)c2ccc(C(C)C)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746162 562674305 /nfs/dbraw/zinc/67/43/05/562674305.db2.gz PIQAJRNFDVDTPE-NCRNUEESSA-N 0 3 730.994 9.314 1 0 KKAFHN CC(C)[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771179 562677986 /nfs/dbraw/zinc/67/79/86/562677986.db2.gz JJYCGWVLRXDIGY-FRMAJCGESA-N 0 3 639.979 6.033 1 0 KKAFHN Cc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(COc3cccc4ccc(C)nc43)c2Cl)cc1 ZINC000049776353 562679427 /nfs/dbraw/zinc/67/94/27/562679427.db2.gz HZWNAVFBLNYHDU-UHFFFAOYSA-N 0 3 643.637 6.090 1 0 KKAFHN CC(C)CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049777901 562680653 /nfs/dbraw/zinc/68/06/53/562680653.db2.gz ZHOHXFLPKBOXJU-FQLXRVMXSA-N 0 3 635.856 6.323 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778323 562681173 /nfs/dbraw/zinc/68/11/73/562681173.db2.gz YWSRNMSVJIDYNV-DHIFEGFHSA-N 0 3 723.544 8.948 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778312 562681206 /nfs/dbraw/zinc/68/12/06/562681206.db2.gz IMQBTGWOTKESLU-PDDLMNHVSA-N 0 3 709.517 8.558 1 0 KKAFHN CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778356 562681220 /nfs/dbraw/zinc/68/12/20/562681220.db2.gz HEILVIDOVAHKRM-SXLOSVNLSA-N 0 3 648.267 5.183 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781111 562682676 /nfs/dbraw/zinc/68/26/76/562682676.db2.gz FLBRXCIMTTVIKZ-AREMUKBSSA-N 0 3 618.045 7.464 1 0 KKAFHN CN1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5sccn54)n3)ccc2C1 ZINC000049781188 562682784 /nfs/dbraw/zinc/68/27/84/562682784.db2.gz MFPBQNCVIIGPOV-UHFFFAOYSA-N 0 3 571.710 6.433 1 0 KKAFHN COCCCc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781265 562682844 /nfs/dbraw/zinc/68/28/44/562682844.db2.gz YYIOQINMOGBBMF-MHZLTWQESA-N 0 3 632.072 7.854 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](/C=C/CN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049793303 562684727 /nfs/dbraw/zinc/68/47/27/562684727.db2.gz FRRAUZMJATYIEM-ZDVLLTGQSA-N 0 3 628.883 5.580 1 0 KKAFHN C[C@@H](NC(=O)c1cc(-c2ccc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049793401 562684804 /nfs/dbraw/zinc/68/48/04/562684804.db2.gz SPQNHSZTLTXJJP-PRAQEBQASA-N 0 3 549.668 5.389 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCCCCC1 ZINC000049878537 562690673 /nfs/dbraw/zinc/69/06/73/562690673.db2.gz CFNBMDAXVAJPSE-UKILVPOCSA-N 0 3 540.717 6.402 1 0 KKAFHN COc1ccc(N(C)C(=O)CN2c3ccccc3[C@@H](c3ccccc3)C(=O)C(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)C2=O)cc1 ZINC000049899398 562693094 /nfs/dbraw/zinc/69/30/94/562693094.db2.gz FIEMOWACEZRNBQ-XDSPJLLDSA-N 0 3 666.734 5.827 1 0 KKAFHN CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000049917545 562693584 /nfs/dbraw/zinc/69/35/84/562693584.db2.gz IQAAGQVGHVNJOR-IGYGKHONSA-N 0 3 634.743 6.113 1 0 KKAFHN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(C)c2)CC1 ZINC000049917553 562693588 /nfs/dbraw/zinc/69/35/88/562693588.db2.gz IXAPGWPWIDFRAP-UHFFFAOYSA-N 0 3 586.058 6.161 1 0 KKAFHN O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917589 562693647 /nfs/dbraw/zinc/69/36/47/562693647.db2.gz GGIHBVOKRSMNKK-GVAUOCQISA-N 0 3 543.539 5.768 1 0 KKAFHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917614 562693683 /nfs/dbraw/zinc/69/36/83/562693683.db2.gz HOZWLRIMHVJKNF-SLFFLAALSA-N 0 3 605.916 6.952 1 0 KKAFHN Cc1cc(-c2nc3cc(CN4CCN(C)CC4)ccc3[nH]2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000049918184 562694580 /nfs/dbraw/zinc/69/45/80/562694580.db2.gz NPWPNBDLXCNJEN-UHFFFAOYSA-N 0 3 541.099 5.763 1 0 KKAFHN Cc1cc(-c2nc3ccc(CN4CCN(C)CC4)cc3[nH]2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000049918184 562694581 /nfs/dbraw/zinc/69/45/81/562694581.db2.gz NPWPNBDLXCNJEN-UHFFFAOYSA-N 0 3 541.099 5.763 1 0 KKAFHN COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC ZINC000049918153 562694586 /nfs/dbraw/zinc/69/45/86/562694586.db2.gz PSMUDBZEMDXFLN-UHFFFAOYSA-N 0 3 563.654 5.975 1 0 KKAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cccc3ncccc32)n1 ZINC000053276048 562697019 /nfs/dbraw/zinc/69/70/19/562697019.db2.gz PEPOAPKYASCEKL-UHFFFAOYSA-N 0 3 508.630 5.532 1 0 in-vitro KKAFHN CCN1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297058 562697419 /nfs/dbraw/zinc/69/74/19/562697419.db2.gz FAIUHYZCSXCGFU-HSZRJFAPSA-N 0 3 580.615 5.571 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N(C)Cc1ccccc1 ZINC000058566818 562699508 /nfs/dbraw/zinc/69/95/08/562699508.db2.gz RRXLVZYMIDIHBC-VPUSJEBWSA-N 0 3 562.723 6.658 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(CN5CCN(c6cccc(C)c6)C[C@@H]5C)cc4)CC3)c2c1 ZINC000058582924 562700040 /nfs/dbraw/zinc/70/00/40/562700040.db2.gz BHJFUMAOFFPDFT-WMELESEDSA-N 0 3 607.799 5.190 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCN2CCOCC2)c1 ZINC000058583977 562700188 /nfs/dbraw/zinc/70/01/88/562700188.db2.gz QKHOLXLFLLYGOZ-JGCGQSQUSA-N 0 3 728.758 6.358 1 0 KKAFHN CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687917 562702118 /nfs/dbraw/zinc/70/21/18/562702118.db2.gz AXZSTWFPHUHVFF-RPWUZVMVSA-N 0 3 506.731 7.868 1 0 KKAFHN O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061903055 562702992 /nfs/dbraw/zinc/70/29/92/562702992.db2.gz MMSCUXAIYVHNAD-GDLZYMKVSA-N 0 3 517.094 7.312 3 0 KKAFHN Clc1ccc2c(c1)nccc2NCCCN1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000064264533 562704681 /nfs/dbraw/zinc/70/46/81/562704681.db2.gz XSCNYDWTZVPKTE-UHFFFAOYSA-N 0 3 547.146 7.300 1 0 KKAFHN CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(CN(CC)C/C3=C\c3ccc(C)cc3)[C@H](c3ccc(C)cc3)N12 ZINC000064448749 562705535 /nfs/dbraw/zinc/70/55/35/562705535.db2.gz CLKHEKQGFSCBKT-RBPAETEQSA-N 0 3 559.714 6.395 1 0 KKAFHN Cn1nc(C2CCN(CCC(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1-c1ccncc1 ZINC000066066061 562709255 /nfs/dbraw/zinc/70/92/55/562709255.db2.gz UTOHWSYLKKQSIB-VWLOTQADSA-N 0 3 552.510 5.598 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073968 562709615 /nfs/dbraw/zinc/70/96/15/562709615.db2.gz RXIFDJMCJKEING-XIFFEERXSA-N 0 3 606.815 5.653 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066074178 562709726 /nfs/dbraw/zinc/70/97/26/562709726.db2.gz IUQXTXGECLYMQG-SANMLTNESA-N 0 3 590.515 6.401 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074423 562709865 /nfs/dbraw/zinc/70/98/65/562709865.db2.gz JVAFIFLJBRUNJB-WJOKGBTCSA-N 0 3 578.761 5.220 1 0 KKAFHN O=C(Nc1cccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 ZINC000066075798 562710059 /nfs/dbraw/zinc/71/00/59/562710059.db2.gz XWOZZFOEVKMVJC-LJAQVGFWSA-N 0 3 534.616 5.410 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066077237 562710278 /nfs/dbraw/zinc/71/02/78/562710278.db2.gz OXHFCAMGABAVGJ-XIFFEERXSA-N 0 3 606.815 6.000 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104360 562711694 /nfs/dbraw/zinc/71/16/94/562711694.db2.gz VZDMPXBUIWEQHN-UUWRZZSWSA-N 0 3 620.842 6.043 1 0 KKAFHN C[C@H](Oc1cc(-n2cnc3cc(OC4CCN(C5CC5)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066114310 562712314 /nfs/dbraw/zinc/71/23/14/562712314.db2.gz ZUDYNCJHVWNHDF-IBGZPJMESA-N 0 3 564.608 6.289 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000066136308 562713037 /nfs/dbraw/zinc/71/30/37/562713037.db2.gz FYUDBAMLWPXVFL-RLYJWURVSA-N 0 3 629.802 5.149 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000066136636 562713257 /nfs/dbraw/zinc/71/32/57/562713257.db2.gz QMWRRMYICQUONI-ULQPQYINSA-N 0 3 627.807 5.435 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000066136636 562713258 /nfs/dbraw/zinc/71/32/58/562713258.db2.gz QMWRRMYICQUONI-ULQPQYINSA-N 0 3 627.807 5.435 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000066138947 562713393 /nfs/dbraw/zinc/71/33/93/562713393.db2.gz NOWHXTYRWKQEBH-RDXDNIQESA-N 0 3 626.729 6.614 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000066148681 562713638 /nfs/dbraw/zinc/71/36/38/562713638.db2.gz DHCQKYJUILKYHB-NVOANOBXSA-N 0 3 607.751 6.012 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000066167181 562714274 /nfs/dbraw/zinc/71/42/74/562714274.db2.gz PQKMCXHOMZBFEK-TWVHRYOLSA-N 0 3 571.718 5.108 3 0 KKAFHN CN1CCCC[C@H]1CNc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066251144 562714428 /nfs/dbraw/zinc/71/44/28/562714428.db2.gz JZNBBUHXLHNYJX-FQEVSTJZSA-N 0 3 579.593 6.154 1 0 KKAFHN COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br ZINC000068251388 562716282 /nfs/dbraw/zinc/71/62/82/562716282.db2.gz SFSHLVIDXGQAHA-UHFFFAOYSA-N 0 3 500.433 5.078 1 0 KKAFHN COCCCc1cc2ccccc2c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000068249627 562716205 /nfs/dbraw/zinc/71/62/05/562716205.db2.gz VOVWPJYRKUBSTK-JOMNFKBKSA-N 0 3 520.620 5.223 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330042 562719079 /nfs/dbraw/zinc/71/90/79/562719079.db2.gz NKCYWBUHTRUFPD-FQEVSTJZSA-N 0 3 590.393 6.831 1 0 KKAFHN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111181 562721918 /nfs/dbraw/zinc/72/19/18/562721918.db2.gz BRIOAEVHOZQBJW-YQLOHFSOSA-N 0 3 588.755 6.583 1 0 KKAFHN COc1cccc(CN2C[C@@H](C)N(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C3)C[C@@H]2C)c1 ZINC000072111470 562721995 /nfs/dbraw/zinc/72/19/95/562721995.db2.gz FXHJFVBIFNFURF-JLDOSVOOSA-N 0 3 536.801 5.933 1 0 KKAFHN C[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112102 562722040 /nfs/dbraw/zinc/72/20/40/562722040.db2.gz UQIQJLFPVUVNNJ-CHWPHWHQSA-N 0 3 520.758 5.564 1 0 KKAFHN COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C3)CC2)c1 ZINC000072112243 562722071 /nfs/dbraw/zinc/72/20/71/562722071.db2.gz KBSGOCXVBNJNAN-AXMKIEGESA-N 0 3 508.747 5.156 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6cc(C(F)(F)F)ccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112738 562722155 /nfs/dbraw/zinc/72/21/55/562722155.db2.gz BNMHOXBZANQWPE-YISDRRAZSA-N 0 3 614.715 7.185 1 0 KKAFHN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)OCCN(C)C)c(OC(C)C)c1 ZINC000072114295 562722668 /nfs/dbraw/zinc/72/26/68/562722668.db2.gz UNDGFWXBHFJPGJ-WUFINQPMSA-N 0 3 570.517 7.032 1 0 KKAFHN CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072114663 562722797 /nfs/dbraw/zinc/72/27/97/562722797.db2.gz ZXABVNHCORODRA-RXCFDRAVSA-N 0 3 519.730 5.863 1 0 KKAFHN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CCN2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114811 562722822 /nfs/dbraw/zinc/72/28/22/562722822.db2.gz DKXHFFZMSYMRIM-AJQTZOPKSA-N 0 3 609.598 6.498 1 0 KKAFHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118158 562723453 /nfs/dbraw/zinc/72/34/53/562723453.db2.gz KYIVTVHLBYHQGA-MRDQGFSESA-N 0 3 560.542 7.556 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128002 562725994 /nfs/dbraw/zinc/72/59/94/562725994.db2.gz ULDPFQYFHJFBOQ-SPWOZAQASA-N 0 3 726.069 6.759 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072128562 562726066 /nfs/dbraw/zinc/72/60/66/562726066.db2.gz GMYAYTAKTSTYEI-BUUPBASBSA-N 0 3 608.702 5.707 3 0 KKAFHN CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128635 562726136 /nfs/dbraw/zinc/72/61/36/562726136.db2.gz LNLNGNGPLSBRDR-SYBRLPANSA-N 0 3 668.279 5.679 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072141837 562729407 /nfs/dbraw/zinc/72/94/07/562729407.db2.gz OHQLEHLHTMWMEB-WNQXLSPZSA-N 0 3 678.025 6.172 3 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=C[C@H](c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1 ZINC000072147595 562729772 /nfs/dbraw/zinc/72/97/72/562729772.db2.gz LDOOJWYIGGXIHB-TVYLWUJTSA-N 0 3 689.587 5.383 1 0 KKAFHN COc1ccc(N(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CCNCC1 ZINC000072148953 562730002 /nfs/dbraw/zinc/73/00/02/562730002.db2.gz WYZVUFZJUDXVBW-UHFFFAOYSA-N 0 3 685.293 6.085 1 0 KKAFHN COc1ccc([C@@H](C)CN(C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172293 562730679 /nfs/dbraw/zinc/73/06/79/562730679.db2.gz WCJGGTAAPIAIJS-OXJNZVENSA-N 0 3 737.894 6.367 1 0 KKAFHN COc1ccc([C@H](C)CN(C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172283 562730693 /nfs/dbraw/zinc/73/06/93/562730693.db2.gz WCJGGTAAPIAIJS-MOOMJTKZSA-N 0 3 737.894 6.367 1 0 KKAFHN CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Nc6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072176058 562731481 /nfs/dbraw/zinc/73/14/81/562731481.db2.gz FAARBONZNUWMQE-UHFFFAOYSA-N 0 3 602.649 7.112 1 0 KKAFHN C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000072317542 562733242 /nfs/dbraw/zinc/73/32/42/562733242.db2.gz QBRBRGZPDHLDGV-SZUKKWSHSA-N 0 3 517.592 5.194 1 0 KKAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1 ZINC000073138644 562733393 /nfs/dbraw/zinc/73/33/93/562733393.db2.gz WYPKPMSOWOXCPF-XJFCNFDWSA-N 0 3 551.584 5.234 1 0 KKAFHN CC[C@H](C)[C@@]1(N)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O ZINC000073196272 562735069 /nfs/dbraw/zinc/73/50/69/562735069.db2.gz GDLPSXPOCXMLPO-ARLAPDOKSA-N 0 3 634.906 5.021 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000073197978 562735528 /nfs/dbraw/zinc/73/55/28/562735528.db2.gz TYLNNGCQIRIJKC-FQEVSTJZSA-N 0 3 579.494 7.087 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccsc4c3=O)CC2)c1 ZINC000073218947 562736148 /nfs/dbraw/zinc/73/61/48/562736148.db2.gz GTDIOGFHGYUTBU-UHFFFAOYSA-N 0 3 521.086 6.007 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Br)cc4)c4ccccc4c3=O)CC2)c1 ZINC000073220142 562736204 /nfs/dbraw/zinc/73/62/04/562736204.db2.gz WBDSGODKRKJLTR-UHFFFAOYSA-N 0 3 559.508 6.054 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(F)ccc4c3=O)CC2)c1 ZINC000073223279 562736475 /nfs/dbraw/zinc/73/64/75/562736475.db2.gz HXXDWHPASFYTGU-UHFFFAOYSA-N 0 3 533.047 6.084 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000073224335 562736671 /nfs/dbraw/zinc/73/66/71/562736671.db2.gz DPRFPOZXBILEPD-UHFFFAOYSA-N 0 3 536.463 5.914 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ccncc23)cc1 ZINC000073275036 562737283 /nfs/dbraw/zinc/73/72/83/562737283.db2.gz HQSUPEKUWPDHCM-HSZRJFAPSA-N 0 3 509.355 6.898 1 0 KKAFHN Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@@H](N5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150329 562739795 /nfs/dbraw/zinc/73/97/95/562739795.db2.gz YBSRGQCJZVKVHS-XJFCNFDWSA-N 0 3 625.608 7.090 1 0 KKAFHN N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175477 562741652 /nfs/dbraw/zinc/74/16/52/562741652.db2.gz LIMJKIRESKWUFU-XZOQPEGZSA-N 0 3 666.816 7.736 1 0 KKAFHN Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCCCC3)[nH]nc21 ZINC000084586594 562743398 /nfs/dbraw/zinc/74/33/98/562743398.db2.gz PFEPJDUULLLNTL-YTTGMZPUSA-N 0 3 607.759 6.185 1 0 KKAFHN COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)oc2c1 ZINC000084596602 562743720 /nfs/dbraw/zinc/74/37/20/562743720.db2.gz DWXXMYCVGFGBCQ-UHFFFAOYSA-N 0 3 620.190 7.853 1 0 KKAFHN Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000084603246 562744128 /nfs/dbraw/zinc/74/41/28/562744128.db2.gz KDTJORYHBNCAEH-UHFFFAOYSA-N 0 3 564.778 6.124 1 0 KKAFHN Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCC3)ccn2)cc2c[nH]nc21 ZINC000084603737 562744250 /nfs/dbraw/zinc/74/42/50/562744250.db2.gz ZKPMAYYRIVMNLD-JGCGQSQUSA-N 0 3 590.728 6.004 1 0 KKAFHN COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc(=O)c2c1 ZINC000084616907 562744708 /nfs/dbraw/zinc/74/47/08/562744708.db2.gz UTKKDZJOGSGJSU-UHFFFAOYSA-N 0 3 555.719 7.191 1 0 KKAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C ZINC000084617337 562744823 /nfs/dbraw/zinc/74/48/23/562744823.db2.gz ZRKOLIPSTDIWMQ-DQEYMECFSA-N 0 3 594.675 5.433 1 0 KKAFHN Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652402 562746552 /nfs/dbraw/zinc/74/65/52/562746552.db2.gz BVBOTXZHHHFXGV-VVGJDDNMSA-N 0 3 592.743 8.209 1 0 KKAFHN O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000084670629 562748386 /nfs/dbraw/zinc/74/83/86/562748386.db2.gz AVKCVRJFBPWNND-BYXVTNLJSA-N 0 3 514.538 6.142 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4cccc(-c5cncnc5)c4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084709048 562750260 /nfs/dbraw/zinc/75/02/60/562750260.db2.gz OLNMTGSIKLTZCY-YTTGMZPUSA-N 0 3 563.061 6.364 1 0 KKAFHN CNC(=O)c1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710042 562750477 /nfs/dbraw/zinc/75/04/77/562750477.db2.gz ZGSCLCGORFILOB-UMSFTDKQSA-N 0 3 585.668 5.070 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084733516 562751890 /nfs/dbraw/zinc/75/18/90/562751890.db2.gz OLGGEMHVMHDMBQ-YPSQYFHOSA-N 0 3 699.254 10.552 1 0 KKAFHN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000095547815 562758890 /nfs/dbraw/zinc/75/88/90/562758890.db2.gz HLBKTVHPDYAOMN-BVPJJHLOSA-N 0 3 791.662 9.214 1 0 KKAFHN COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c3ccccc3cc(c2OC)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1 ZINC000095547826 562758903 /nfs/dbraw/zinc/75/89/03/562758903.db2.gz OYVFSCIQTBGLRG-UJILRZCBSA-N 0 3 794.946 6.064 1 0 KKAFHN COCCOCCOCCOc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095548768 562759457 /nfs/dbraw/zinc/75/94/57/562759457.db2.gz PJGYNGUMVCKFGH-UHFFFAOYSA-N 0 3 776.887 6.194 1 0 KKAFHN Clc1ccc2c(c1)nccc2NC(c1ccccc1)(c1ccc(CN2CCCC2)c(Cl)c1)c1ccc(CN2CCCC2)c(Cl)c1 ZINC000095553758 562761072 /nfs/dbraw/zinc/76/10/72/562761072.db2.gz JSMIBJFABMSSHB-UHFFFAOYSA-N 0 3 656.101 9.791 1 0 KKAFHN COc1cc(/C=C/C(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)ccc1OCCCCCCO[N+](=O)[O-] ZINC000095555499 562761556 /nfs/dbraw/zinc/76/15/56/562761556.db2.gz QQFGVNJQUPSBQA-XTQSDGFTSA-N 0 3 646.829 7.852 1 0 KKAFHN CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1 ZINC000095555722 562761587 /nfs/dbraw/zinc/76/15/87/562761587.db2.gz NKFPLXBNRVEXKC-RUZDIDTESA-N 0 3 606.822 5.329 1 0 KKAFHN CN1CCN(c2ccc3[nH]c(-c4ccc5c(c4)CN4CN5Cc5cc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)ccc54)nc3c2)CC1 ZINC000095556964 562761984 /nfs/dbraw/zinc/76/19/84/562761984.db2.gz BQHSBLWTTZFILH-UHFFFAOYSA-N 0 3 650.835 5.575 1 0 KKAFHN CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000095557177 562762062 /nfs/dbraw/zinc/76/20/62/562762062.db2.gz WXGCKASPTGCGFN-NRFANRHFSA-N 0 3 531.311 5.079 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000095557303 562762085 /nfs/dbraw/zinc/76/20/85/562762085.db2.gz RFZWBVODGHIKRI-OMAKSLIJSA-N 0 3 655.257 6.698 1 0 KKAFHN CCN1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1 ZINC000095563250 562763916 /nfs/dbraw/zinc/76/39/16/562763916.db2.gz BAEPKCSJXVFDDR-UHFFFAOYSA-N 0 3 506.607 5.127 1 0 KKAFHN Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095566132 562764781 /nfs/dbraw/zinc/76/47/81/562764781.db2.gz FUPMKTCKDJNZPE-ACXCVDCASA-N 0 3 561.604 5.021 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095566413 562764948 /nfs/dbraw/zinc/76/49/48/562764948.db2.gz FKBDGSUSUALVGO-BVTPYHFJSA-N 0 3 674.842 6.433 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566476 562764997 /nfs/dbraw/zinc/76/49/97/562764997.db2.gz YLCYRDPZGWCEPF-RDXDNIQESA-N 0 3 631.770 5.646 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566476 562764998 /nfs/dbraw/zinc/76/49/98/562764998.db2.gz YLCYRDPZGWCEPF-RDXDNIQESA-N 0 3 631.770 5.646 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566867 562765308 /nfs/dbraw/zinc/76/53/08/562765308.db2.gz JQXCVRFSCSGTFT-WOGZVKCMSA-N 0 3 634.626 5.384 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567134 562765564 /nfs/dbraw/zinc/76/55/64/562765564.db2.gz OFYJPRSBIVOGOZ-WURXVLGASA-N 0 3 666.663 6.649 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567220 562765572 /nfs/dbraw/zinc/76/55/72/562765572.db2.gz OYNIYJJSCYRIFI-UXUDLTKPSA-N 0 3 666.775 6.133 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095567333 562765701 /nfs/dbraw/zinc/76/57/01/562765701.db2.gz AHIVZLPYNOMDAU-GJCZEXATSA-N 0 3 608.739 6.475 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567601 562765942 /nfs/dbraw/zinc/76/59/42/562765942.db2.gz SYWCYXHAIYXQLV-BCDQWZCSSA-N 0 3 640.124 5.512 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567601 562765943 /nfs/dbraw/zinc/76/59/43/562765943.db2.gz SYWCYXHAIYXQLV-BCDQWZCSSA-N 0 3 640.124 5.512 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095568346 562766477 /nfs/dbraw/zinc/76/64/77/562766477.db2.gz UUCMFHNJLLHFQV-RLYJWURVSA-N 0 3 598.788 6.160 1 0 KKAFHN Cc1cc(N2CCN([C@H](c3nnnn3-c3c(C)cccc3C)c3ccnc4ccccc43)CC2)c2ccccc2n1 ZINC000095568540 562766762 /nfs/dbraw/zinc/76/67/62/562766762.db2.gz LFSZFZUZMKSNCB-YTTGMZPUSA-N 0 3 540.675 5.596 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569071 562767125 /nfs/dbraw/zinc/76/71/25/562767125.db2.gz GQWDZONLPIYMSR-HSHANODTSA-N 0 3 672.826 7.557 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569260 562767265 /nfs/dbraw/zinc/76/72/65/562767265.db2.gz GQPLODGYDYCVNT-JAOJVIEDSA-N 0 3 650.625 5.084 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095569206 562767278 /nfs/dbraw/zinc/76/72/78/562767278.db2.gz IQSVNIDGIMJPQN-KTYLLXISSA-N 0 3 592.740 5.282 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095569369 562767413 /nfs/dbraw/zinc/76/74/13/562767413.db2.gz AMEWTOKWBIKYEC-UXVOWUFOSA-N 0 3 664.807 5.446 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095569930 562767826 /nfs/dbraw/zinc/76/78/26/562767826.db2.gz CBQVGICLIDWTFD-RLCGNTSFSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095569930 562767827 /nfs/dbraw/zinc/76/78/27/562767827.db2.gz CBQVGICLIDWTFD-RLCGNTSFSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095569930 562767828 /nfs/dbraw/zinc/76/78/28/562767828.db2.gz CBQVGICLIDWTFD-RLCGNTSFSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570466 562768216 /nfs/dbraw/zinc/76/82/16/562768216.db2.gz AIDUNWUCHWLKPO-QAJXPZEFSA-N 0 3 650.776 6.007 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095571203 562768832 /nfs/dbraw/zinc/76/88/32/562768832.db2.gz AEAUQEWSZQQTML-MKGJDZFWSA-N 0 3 552.675 5.288 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571509 562769032 /nfs/dbraw/zinc/76/90/32/562769032.db2.gz URAPLHCKRADHID-OUDXUNEISA-N 0 3 626.701 5.920 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571554 562769103 /nfs/dbraw/zinc/76/91/03/562769103.db2.gz RKFPRZNLXVJUNG-PDTNBVABSA-N 0 3 627.807 5.815 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571554 562769104 /nfs/dbraw/zinc/76/91/04/562769104.db2.gz RKFPRZNLXVJUNG-PDTNBVABSA-N 0 3 627.807 5.815 1 0 KKAFHN C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(-c2ccccc2Cl)c1 ZINC000095571758 562769186 /nfs/dbraw/zinc/76/91/86/562769186.db2.gz ZNJPYGAZHWKTMZ-AFMDSPMNSA-N 0 3 500.039 5.224 1 0 KKAFHN CO[C@@H](C)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574641 562770075 /nfs/dbraw/zinc/77/00/75/562770075.db2.gz IUSARDYWEPUTPN-WNQFUHBBSA-N 0 3 592.806 5.253 1 0 KKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)Cc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577099 562770821 /nfs/dbraw/zinc/77/08/21/562770821.db2.gz JUNNRNPPDPOZCZ-WDJKZLNSSA-N 0 3 565.069 5.820 1 0 KKAFHN CC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577022 562770852 /nfs/dbraw/zinc/77/08/52/562770852.db2.gz CATNTJQWQKGLJS-GMQQYTKMSA-N 0 3 548.753 5.238 1 0 KKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC/C=C/c1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577516 562770983 /nfs/dbraw/zinc/77/09/83/562770983.db2.gz SHNLAVNKNFYRDC-YKYMNFOOSA-N 0 3 563.097 6.764 1 0 KKAFHN COCC(=O)N[C@@H](Cc1ccc(F)c(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095578730 562771361 /nfs/dbraw/zinc/77/13/61/562771361.db2.gz XSFWBOOLWAKDFI-GMQQYTKMSA-N 0 3 596.769 5.004 1 0 KKAFHN COCC(=O)N[C@@H](Cc1cc(F)cc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095579766 562771671 /nfs/dbraw/zinc/77/16/71/562771671.db2.gz JBBUENLSUWMDMI-GMQQYTKMSA-N 0 3 596.769 5.004 1 0 KKAFHN COc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1-c1cccc(O)c1 ZINC000095585670 562773646 /nfs/dbraw/zinc/77/36/46/562773646.db2.gz BIBVUVAMBMYCJF-UHFFFAOYSA-N 0 3 514.578 5.208 1 0 KKAFHN CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(CCCCC)c(N)n3)nn2)cc1 ZINC000095590634 562775314 /nfs/dbraw/zinc/77/53/14/562775314.db2.gz JWMOUFKXGJLWCF-UHFFFAOYSA-N 0 3 507.727 5.365 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095598893 562777625 /nfs/dbraw/zinc/77/76/25/562777625.db2.gz ZBBNPLMVFVREHD-PQKZQXQFSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095598893 562777626 /nfs/dbraw/zinc/77/76/26/562777626.db2.gz ZBBNPLMVFVREHD-PQKZQXQFSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599258 562777921 /nfs/dbraw/zinc/77/79/21/562777921.db2.gz KTOLAWMRFLMANX-JCLAXVLHSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599305 562777925 /nfs/dbraw/zinc/77/79/25/562777925.db2.gz QMCFBRPLMVFDBX-DLVGFNCXSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599305 562777926 /nfs/dbraw/zinc/77/79/26/562777926.db2.gz QMCFBRPLMVFDBX-DLVGFNCXSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599792 562778333 /nfs/dbraw/zinc/77/83/33/562778333.db2.gz UQRVVYXDOOLUAO-DLVGFNCXSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599792 562778334 /nfs/dbraw/zinc/77/83/34/562778334.db2.gz UQRVVYXDOOLUAO-DLVGFNCXSA-N 0 3 723.830 6.573 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600353 562778811 /nfs/dbraw/zinc/77/88/11/562778811.db2.gz LFZLAWVTNRSJHJ-MGXQNUJRSA-N 0 3 735.866 6.442 1 0 KKAFHN COc1cc2c(c(OCCN3CCCCC3)c1)[C@H](c1c(OC)ccc3ccccc31)[C@@H](c1ccccc1)C2(C)C ZINC000095601900 562779776 /nfs/dbraw/zinc/77/97/76/562779776.db2.gz DTXLTPYEPRFQDN-OIDHKYIRSA-N 0 3 535.728 7.929 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602327 562779973 /nfs/dbraw/zinc/77/99/73/562779973.db2.gz UQRVVYXDOOLUAO-GJWZSCNASA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602327 562779974 /nfs/dbraw/zinc/77/99/74/562779974.db2.gz UQRVVYXDOOLUAO-GJWZSCNASA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095602656 562780159 /nfs/dbraw/zinc/78/01/59/562780159.db2.gz NPEDMRUCBXVYJC-JQASONJCSA-N 0 3 660.737 7.369 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095603037 562780297 /nfs/dbraw/zinc/78/02/97/562780297.db2.gz STCNQGKHPZHYJD-NWDSAUNBSA-N 0 3 711.826 6.096 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095603343 562780443 /nfs/dbraw/zinc/78/04/43/562780443.db2.gz YKADZYQVAJPHMU-ZYGBHLQISA-N 0 3 657.918 6.103 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095603343 562780444 /nfs/dbraw/zinc/78/04/44/562780444.db2.gz YKADZYQVAJPHMU-ZYGBHLQISA-N 0 3 657.918 6.103 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095604367 562780981 /nfs/dbraw/zinc/78/09/81/562780981.db2.gz ZBBNPLMVFVREHD-OCJGHMAWSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095604367 562780982 /nfs/dbraw/zinc/78/09/82/562780982.db2.gz ZBBNPLMVFVREHD-OCJGHMAWSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095604538 562781045 /nfs/dbraw/zinc/78/10/45/562781045.db2.gz CMLTYIJXOZVOLL-RYOMNGFGSA-N 0 3 612.815 6.089 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604846 562781238 /nfs/dbraw/zinc/78/12/38/562781238.db2.gz UIKXZKCHSBRXDR-FBTROWELSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604846 562781239 /nfs/dbraw/zinc/78/12/39/562781239.db2.gz UIKXZKCHSBRXDR-FBTROWELSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605214 562781446 /nfs/dbraw/zinc/78/14/46/562781446.db2.gz OMMOJELOODPTJH-BWLKTWDLSA-N 0 3 661.881 5.934 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605214 562781447 /nfs/dbraw/zinc/78/14/47/562781447.db2.gz OMMOJELOODPTJH-BWLKTWDLSA-N 0 3 661.881 5.934 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095605674 562781661 /nfs/dbraw/zinc/78/16/61/562781661.db2.gz KTOLAWMRFLMANX-GBJJYOARSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605719 562781688 /nfs/dbraw/zinc/78/16/88/562781688.db2.gz PIPSXTOHKBCCEO-MJQNYGCISA-N 0 3 702.790 7.416 1 0 KKAFHN Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)CCCCCNC(N)=[NH2+])CC5)CCCC4)c3Cl)c2n1 ZINC000095606987 562782556 /nfs/dbraw/zinc/78/25/56/562782556.db2.gz BQIHVDDBUCQADT-UHFFFAOYSA-N 0 3 746.762 5.043 1 0 KKAFHN O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC000095607583 562782862 /nfs/dbraw/zinc/78/28/62/562782862.db2.gz AACVFPBDJIZOLP-CCGNRUJASA-N 0 3 779.860 6.301 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cccc(Cl)c1Cl)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000095613614 562786393 /nfs/dbraw/zinc/78/63/93/562786393.db2.gz VYVMLRGKFMVXOT-KPTTYIGJSA-N 0 3 772.774 6.722 1 0 KKAFHN CC(C)N1C[C@@H](CN(C)[C@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665587 562788185 /nfs/dbraw/zinc/78/81/85/562788185.db2.gz DDRAIKDBHFHCOA-AUSIDOKSSA-N 0 3 507.034 5.292 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000095670062 562788219 /nfs/dbraw/zinc/78/82/19/562788219.db2.gz CZVLXTAHCSHXFS-DHLKQENFSA-N 0 3 527.505 6.606 1 0 KKAFHN COc1ccc(CN2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680090 562788371 /nfs/dbraw/zinc/78/83/71/562788371.db2.gz AYFIOZIDKGBGDF-SYZUXVNWSA-N 0 3 602.757 5.563 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095699221 562788564 /nfs/dbraw/zinc/78/85/64/562788564.db2.gz ZBSMIXMEGWTGMY-BCIXQDHQSA-N 0 3 583.773 6.225 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000095783197 562789073 /nfs/dbraw/zinc/78/90/73/562789073.db2.gz ORGCMGRUUGCKJF-NXRFZHLESA-N 0 3 643.769 5.004 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)c4ccc(-c5nccs5)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095854036 562789563 /nfs/dbraw/zinc/78/95/63/562789563.db2.gz NPRJPXXRXRRIKZ-HFZPWKHCSA-N 0 3 614.768 5.423 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095854958 562789667 /nfs/dbraw/zinc/78/96/67/562789667.db2.gz ZBSMIXMEGWTGMY-UVNCRYBCSA-N 0 3 583.773 6.225 1 0 KKAFHN CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3cn(-c4ccncc4)nn3)cccc2C1=O ZINC000095872125 562789978 /nfs/dbraw/zinc/78/99/78/562789978.db2.gz SWKZJGSDPIEMIQ-WTYVLRPYSA-N 0 3 579.532 6.016 1 0 KKAFHN CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872384 562790083 /nfs/dbraw/zinc/79/00/83/562790083.db2.gz XDKJWJXCXRUBMR-ZOYWYXQUSA-N 0 3 578.713 6.506 3 0 KKAFHN O=C(Nc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174108 562791691 /nfs/dbraw/zinc/79/16/91/562791691.db2.gz WXZMWRDFSOFCHR-UHFFFAOYSA-N 0 3 577.092 6.493 1 0 KKAFHN c1ccc(O[C@@H]2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174121 562791694 /nfs/dbraw/zinc/79/16/94/562791694.db2.gz PHHDDLBCGRGYOL-RUZDIDTESA-N 0 3 500.606 6.097 1 0 KKAFHN COCCN1CCN(c2ccc3ncnc(Sc4cc(C(=O)Nc5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000096175773 562792012 /nfs/dbraw/zinc/79/20/12/562792012.db2.gz MGIAEOVHWGNHJW-UHFFFAOYSA-N 0 3 680.801 5.276 1 0 KKAFHN CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@@H]3CCCN3C)CC1)C2 ZINC000096177895 562792457 /nfs/dbraw/zinc/79/24/57/562792457.db2.gz OXHQSLVSULVZQB-LJAQVGFWSA-N 0 3 710.301 5.628 1 0 KKAFHN C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269478 562792984 /nfs/dbraw/zinc/79/29/84/562792984.db2.gz NEQBDGIZCFQZDX-MHZLTWQESA-N 0 3 656.799 8.179 1 0 KKAFHN C[C@@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270053 562793152 /nfs/dbraw/zinc/79/31/52/562793152.db2.gz VPSJQWYDLMDCOQ-HHHXNRCGSA-N 0 3 656.799 8.179 1 0 KKAFHN C[C@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270058 562793154 /nfs/dbraw/zinc/79/31/54/562793154.db2.gz PDRXQFWLPWJYCL-QHCPKHFHSA-N 0 3 600.691 6.619 1 0 KKAFHN C[C@@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270071 562793168 /nfs/dbraw/zinc/79/31/68/562793168.db2.gz IEFWFBOBLBKOIT-HSZRJFAPSA-N 0 3 600.691 6.619 1 0 KKAFHN CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCCC5)cc4)n[nH]3)cc2)no1 ZINC000096270660 562793316 /nfs/dbraw/zinc/79/33/16/562793316.db2.gz GUEYLTKEGFGDCH-UHFFFAOYSA-N 0 3 557.655 5.733 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271287 562793783 /nfs/dbraw/zinc/79/37/83/562793783.db2.gz KQNPMYBXIHYXNR-UHFFFAOYSA-N 0 3 682.353 9.596 1 0 KKAFHN CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(C(C)(C)C)nn5-c5cccc(N)c5)cc4)c3c2)CC1 ZINC000096273047 562794389 /nfs/dbraw/zinc/79/43/89/562794389.db2.gz SIXVDPYFTBZLMQ-UHFFFAOYSA-N 0 3 661.815 5.659 1 0 in-vitro KKAFHN C[NH+](C)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc([O-])c(Br)c3)n2)cc1Br ZINC000096921941 562801546 /nfs/dbraw/zinc/80/15/46/562801546.db2.gz HDBDOGUHEIXQGP-UHFFFAOYSA-N 0 3 616.148 5.351 1 0 KKAFHN CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C(F)(F)F)c2n1-c1ccc(F)cc1 ZINC000096282441 562794663 /nfs/dbraw/zinc/79/46/63/562794663.db2.gz NAUIRPNTTXLCCK-UHFFFAOYSA-N 0 3 558.428 7.361 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC000096285102 562795441 /nfs/dbraw/zinc/79/54/41/562795441.db2.gz YXNVRITWXLFAIM-UHFFFAOYSA-N 0 3 640.691 6.040 1 0 KKAFHN Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285349 562795522 /nfs/dbraw/zinc/79/55/22/562795522.db2.gz GLPOBUHYQIRJAI-OUTSHDOLSA-N 0 3 589.184 5.707 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 ZINC000096285367 562795568 /nfs/dbraw/zinc/79/55/68/562795568.db2.gz VLCNIWNAFVRZRX-FIPFOOKPSA-N 0 3 575.157 5.399 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(F)c2)CC1 ZINC000096285459 562795727 /nfs/dbraw/zinc/79/57/27/562795727.db2.gz WFKZOGGTBBNGQC-KMRXNPHXSA-N 0 3 550.723 5.017 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc([C@H](C)O)c2)c1 ZINC000096307595 562796379 /nfs/dbraw/zinc/79/63/79/562796379.db2.gz IXJVBGCZQGVESS-GNIPUNEXSA-N 0 3 649.710 5.149 1 0 KKAFHN COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CCN2C)cc1 ZINC000096901084 562797005 /nfs/dbraw/zinc/79/70/05/562797005.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 0 3 638.761 6.448 1 0 KKAFHN C[C@](O)(CCCNCc1ccccn1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907053 562798979 /nfs/dbraw/zinc/79/89/79/562798979.db2.gz ZTNLTKMTNYQFBF-VDPSFHEQSA-N 0 3 526.806 5.719 1 0 KKAFHN COc1cccc(CN2CCN(C[C@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907753 562799183 /nfs/dbraw/zinc/79/91/83/562799183.db2.gz JIZBSLOZXTWCDC-NXNCUQCYSA-N 0 3 838.891 8.357 1 0 KKAFHN COc1cccc(CN2CCN(C[C@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907754 562799231 /nfs/dbraw/zinc/79/92/31/562799231.db2.gz JIZBSLOZXTWCDC-RLNZFLKDSA-N 0 3 838.891 8.357 1 0 KKAFHN C[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@@H](C)c3ccccc3)cc2)cc1 ZINC000096926974 562802466 /nfs/dbraw/zinc/80/24/66/562802466.db2.gz VLZNXMNXKJRQGR-PJBIELPXSA-N 0 3 612.818 8.185 1 0 KKAFHN CCCOc1ccc(-c2cc(OCCN(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000096927233 562802630 /nfs/dbraw/zinc/80/26/30/562802630.db2.gz PFJAGQIOSOTJBQ-UHFFFAOYSA-N 0 3 502.658 7.772 1 0 KKAFHN COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)c(F)c3)c2)c(OC)c1 ZINC000096932307 562803357 /nfs/dbraw/zinc/80/33/57/562803357.db2.gz BSCKUVYZZOAMFB-UHFFFAOYSA-N 0 3 681.765 6.523 1 0 KKAFHN Fc1ccc2nc(N[C@@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)sc2c1 ZINC000096938110 562804430 /nfs/dbraw/zinc/80/44/30/562804430.db2.gz ATWPFZQKUBRXJP-SSEXGKCCSA-N 0 3 531.697 7.442 1 0 KKAFHN Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193584 562809871 /nfs/dbraw/zinc/80/98/71/562809871.db2.gz HTVPBKMQDVVVRD-RXGYLRSASA-N 0 3 598.738 7.041 1 0 KKAFHN Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193584 562809872 /nfs/dbraw/zinc/80/98/72/562809872.db2.gz HTVPBKMQDVVVRD-RXGYLRSASA-N 0 3 598.738 7.041 1 0 KKAFHN CN(C)CCN(C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696088 562811744 /nfs/dbraw/zinc/81/17/44/562811744.db2.gz FJLJGDFMQOLGRZ-UHFFFAOYSA-N 0 3 557.716 5.537 1 0 KKAFHN CCN1CCC[C@@H]1CNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696213 562811835 /nfs/dbraw/zinc/81/18/35/562811835.db2.gz NTPDWLWNIDHMMF-JOCHJYFZSA-N 0 3 596.753 5.677 1 0 KKAFHN O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135087 562814461 /nfs/dbraw/zinc/81/44/61/562814461.db2.gz SYXAHSDAHIOHSU-HSZRJFAPSA-N 0 3 545.481 5.824 1 0 KKAFHN Clc1ccc([C@@H](CN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)Cn2cncn2)c(Cl)c1 ZINC000103176099 562815090 /nfs/dbraw/zinc/81/50/90/562815090.db2.gz HVILDJJFPBAMPJ-MZHSFCLDSA-N 0 3 503.477 7.098 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCC4)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228637 562818016 /nfs/dbraw/zinc/81/80/16/562818016.db2.gz QFUYRIFJXJFKIM-UHFFFAOYSA-N 0 3 547.652 6.009 1 0 KKAFHN COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4OC)[C@@H](c4ccccc4OC)N23)cc1 ZINC000103230175 562818145 /nfs/dbraw/zinc/81/81/45/562818145.db2.gz FPOSITSESXWBAH-AMSOUEKYSA-N 0 3 523.658 6.111 1 0 KKAFHN COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230169 562818165 /nfs/dbraw/zinc/81/81/65/562818165.db2.gz SXNBYFCNJKLKND-YAUXARCYSA-N 0 3 532.496 7.401 1 0 KKAFHN CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234225 562818544 /nfs/dbraw/zinc/81/85/44/562818544.db2.gz WBNHEXZVUGRMTR-UHFFFAOYSA-N 0 3 585.164 5.221 1 0 KKAFHN CCN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234270 562818613 /nfs/dbraw/zinc/81/86/13/562818613.db2.gz HDYHDOVZUHZOKX-UHFFFAOYSA-N 0 3 567.174 5.082 1 0 KKAFHN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1ccccc1C1CCN(Cc2ccccc2)CC1 ZINC000103239121 562819316 /nfs/dbraw/zinc/81/93/16/562819316.db2.gz GTTXZQJMEXLDGZ-UHFFFAOYSA-N 0 3 562.592 7.796 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cccc(-c4ccc(OC5CCN(C)CC5)cc4)c3)ccc2OC)c1 ZINC000103242599 562819621 /nfs/dbraw/zinc/81/96/21/562819621.db2.gz GTHRHDCYVWOFFQ-UHFFFAOYSA-N 0 3 522.645 6.763 1 0 KKAFHN O=C(Nc1cccc2nonc21)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263336 562821697 /nfs/dbraw/zinc/82/16/97/562821697.db2.gz VEZHRXHMYNQQIK-UHFFFAOYSA-N 0 3 503.990 5.798 1 0 KKAFHN COC(=O)[C@@](CCCN1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265090 562822074 /nfs/dbraw/zinc/82/20/74/562822074.db2.gz VJNSKFRRVHJJRE-HHHXNRCGSA-N 0 3 500.477 6.094 1 0 KKAFHN CCN1CCN(Cc2ccc(C)c(NC(=O)c3ccc(Nc4ncc(C)c(-c5ccc(OC(F)(F)F)cc5)n4)cc3)c2)CC1 ZINC000103267526 562822423 /nfs/dbraw/zinc/82/24/23/562822423.db2.gz HZEBCZOZFPQSTJ-UHFFFAOYSA-N 0 3 604.677 6.792 1 0 KKAFHN O=C(/C=C/CN1CCCCC1)Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000112977116 562826138 /nfs/dbraw/zinc/82/61/38/562826138.db2.gz CJIJVEOGUOJOMJ-GQCTYLIASA-N 0 3 583.108 5.248 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037584 562827097 /nfs/dbraw/zinc/82/70/97/562827097.db2.gz CHEFFCXFEZUVQX-GOSISDBHSA-N 0 3 503.990 5.148 1 0 KKAFHN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN4CC[C@H](O)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755819 562828435 /nfs/dbraw/zinc/82/84/35/562828435.db2.gz YFIAGILPWYUJOO-DEOSSOPVSA-N 0 3 551.651 5.101 1 0 KKAFHN O=S(=O)([N-]CCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(-c2ccon2)s1 ZINC000117351170 562829769 /nfs/dbraw/zinc/82/97/69/562829769.db2.gz GPDOJVVKIPKXNK-HHHXNRCGSA-N 0 3 570.136 5.723 1 0 KKAFHN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1CN ZINC000118790359 562830575 /nfs/dbraw/zinc/83/05/75/562830575.db2.gz ZDRUXXFMVAAUQM-LBEKAKSKSA-N 0 3 508.062 5.729 1 0 KKAFHN CC(C)N(CCN(C)C)c1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118799850 562830708 /nfs/dbraw/zinc/83/07/08/562830708.db2.gz VVDDORQGXUJPER-PGUFJCEWSA-N 0 3 582.192 6.827 1 0 KKAFHN O=C1CCN(CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885486 562831104 /nfs/dbraw/zinc/83/11/04/562831104.db2.gz IGFCCVGOXSJNQX-BHVANESWSA-N 0 3 558.766 6.369 1 0 KKAFHN COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c3Oc3ccccc3O4)cc2)cc1OC ZINC000136814367 562831297 /nfs/dbraw/zinc/83/12/97/562831297.db2.gz MDEQINWCRXTCBU-UHFFFAOYSA-N 0 3 540.616 6.407 1 0 KKAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5cccnc5)n4)c3)sc2C1 ZINC000141658704 562833633 /nfs/dbraw/zinc/83/36/33/562833633.db2.gz QMHPRUDVMNZQSE-XUZZJYLKSA-N 0 3 558.733 5.310 1 0 KKAFHN Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc(Cl)c(F)c2)n1 ZINC000142788457 562834377 /nfs/dbraw/zinc/83/43/77/562834377.db2.gz POYJMKCTUDOSRK-SFHVURJKSA-N 0 3 503.025 5.889 1 0 KKAFHN [NH3+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143249291 562834834 /nfs/dbraw/zinc/83/48/34/562834834.db2.gz AYHOCUNWSMDBOV-NHCUHLMSSA-N 0 3 511.496 5.012 1 0 KKAFHN CN1Cc2cccc(Oc3nc(Nc4ccc(NC5CCN(C)CC5)c(F)c4)ncc3C(F)(F)F)c2C1=O ZINC000146005505 562837905 /nfs/dbraw/zinc/83/79/05/562837905.db2.gz BAWBWSGIKBPHGO-UHFFFAOYSA-N 0 3 530.526 5.262 1 0 KKAFHN COc1cc(N2CCN(CC3CC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146038147 562837998 /nfs/dbraw/zinc/83/79/98/562837998.db2.gz PJAPPVNMEIKVJE-UHFFFAOYSA-N 0 3 568.600 5.158 1 0 KKAFHN CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl ZINC000146673675 562838742 /nfs/dbraw/zinc/83/87/42/562838742.db2.gz XEADJJXUBNVGAN-AREMUKBSSA-N 0 3 503.046 6.237 1 0 in-vitro KKAFHN CC(=O)N1CCC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000146989798 562838971 /nfs/dbraw/zinc/83/89/71/562838971.db2.gz GGZUBZIFLQTHQP-HVHHDALESA-N 0 3 589.539 5.010 1 0 KKAFHN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCN5CCCCC5)s4)ccn32)c1 ZINC000147434074 562839305 /nfs/dbraw/zinc/83/93/05/562839305.db2.gz FVBYZAPHBUXFOH-UHFFFAOYSA-N 0 3 529.592 5.232 1 0 KKAFHN CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147641231 562839467 /nfs/dbraw/zinc/83/94/67/562839467.db2.gz LVGOHLZRHCXTJK-KKUQBAQOSA-N 0 3 523.802 8.923 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)N5CCCC5)cc43)cc2)CC1 ZINC000147947001 562839816 /nfs/dbraw/zinc/83/98/16/562839816.db2.gz HUUXJEYKBSKWTM-MUUNZHRXSA-N 0 3 515.683 5.540 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148167859 562840388 /nfs/dbraw/zinc/84/03/88/562840388.db2.gz ORCOAUWHFCFOPX-UHFFFAOYSA-N 0 3 625.675 5.679 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000148165267 562840413 /nfs/dbraw/zinc/84/04/13/562840413.db2.gz MKBRDAXEVSTMTO-UHFFFAOYSA-N 0 3 582.631 5.751 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccncc3)nc21 ZINC000148171285 562840428 /nfs/dbraw/zinc/84/04/28/562840428.db2.gz JKNYELDCOXITQY-UHFFFAOYSA-N 0 3 630.679 5.748 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(Cl)c2)n1 ZINC000148440911 562841281 /nfs/dbraw/zinc/84/12/81/562841281.db2.gz OIBAYPISDCPRHS-UHFFFAOYSA-N 0 3 535.954 5.517 1 0 KKAFHN COc1ccc(OC)c(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148614469 562841575 /nfs/dbraw/zinc/84/15/75/562841575.db2.gz MKFNPMPQCHBNBZ-NRFANRHFSA-N 0 3 517.066 5.025 1 0 KKAFHN COc1ccc(C2=NN(CCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000150591286 562846225 /nfs/dbraw/zinc/84/62/25/562846225.db2.gz GRNBKBZWMMRNLG-GYSGXBDISA-N 0 3 672.823 5.444 1 0 KKAFHN CC(C)c1nc(CN(C)C(=O)N[C@@H](CN(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604112 562847535 /nfs/dbraw/zinc/84/75/35/562847535.db2.gz QFYWEWHEOQPTQQ-QSCLJHCWSA-N 0 3 719.978 5.840 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cc(F)c32)[C@H]1c1cccc(Cl)c1F ZINC000163544718 562849360 /nfs/dbraw/zinc/84/93/60/562849360.db2.gz DJIREPOVQVUVTA-DOHPXTJBSA-N 0 3 631.507 5.768 1 0 KKAFHN CN(C)C[C@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@H](O)c1ccccc1 ZINC000164752920 562849710 /nfs/dbraw/zinc/84/97/10/562849710.db2.gz FAPXOLFYGWNEHZ-BBATYDOGSA-N 0 3 640.012 5.936 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N(C)CCN5CCCC5)nc43)c2)cc1C(F)(F)F ZINC000165258866 562849951 /nfs/dbraw/zinc/84/99/51/562849951.db2.gz PFXYNUIYLPXZGN-UHFFFAOYSA-N 0 3 634.585 5.994 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)(F)CC3)nc21 ZINC000165263624 562849976 /nfs/dbraw/zinc/84/99/76/562849976.db2.gz GDHIKRHJYQYIGB-UHFFFAOYSA-N 0 3 643.665 5.976 1 0 KKAFHN O=C(CCCOc1cccc2[nH]c3ccccc3c21)NCCCNc1c2ccccc2nc2c1CCCC2 ZINC000169309084 562854267 /nfs/dbraw/zinc/85/42/67/562854267.db2.gz SNHXSTFOPXTQSU-UHFFFAOYSA-N 0 3 506.650 6.526 1 0 KKAFHN O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@@H]1CN1CC[C@@H](O)C1 ZINC000169312092 562855283 /nfs/dbraw/zinc/85/52/83/562855283.db2.gz AQBIPWHIWZFQLT-FGZHOGPDSA-N 0 3 554.638 6.039 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000169317498 562855990 /nfs/dbraw/zinc/85/59/90/562855990.db2.gz AJUAJKZVPJDBSA-RCZVLFRGSA-N 0 3 538.404 6.350 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000169321603 562856665 /nfs/dbraw/zinc/85/66/65/562856665.db2.gz ADQFOTNYOVDLON-UHFFFAOYSA-N 0 3 563.101 7.248 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169322871 562856888 /nfs/dbraw/zinc/85/68/88/562856888.db2.gz JMIFODWCSGNQNE-UHFFFAOYSA-N 0 3 668.326 9.206 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324403 562857310 /nfs/dbraw/zinc/85/73/10/562857310.db2.gz MBKDKHIIZHYJTK-UHFFFAOYSA-N 0 3 549.719 6.212 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324424 562857355 /nfs/dbraw/zinc/85/73/55/562857355.db2.gz VNQRCHATDCVDNA-UHFFFAOYSA-N 0 3 591.800 7.383 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324410 562857365 /nfs/dbraw/zinc/85/73/65/562857365.db2.gz FHATWAGGQYRQPD-UHFFFAOYSA-N 0 3 549.719 6.212 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324434 562857384 /nfs/dbraw/zinc/85/73/84/562857384.db2.gz UAYCTIQFWGSWCO-UHFFFAOYSA-N 0 3 591.800 7.383 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2Cl)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334286 562859465 /nfs/dbraw/zinc/85/94/65/562859465.db2.gz LRYGAOCWBWIYJE-HSZRJFAPSA-N 0 3 575.886 8.380 1 0 KKAFHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348459 562862252 /nfs/dbraw/zinc/86/22/52/562862252.db2.gz DXOOKKOUMBHRDB-YTTGMZPUSA-N 0 3 610.799 5.766 1 0 KKAFHN COC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348465 562862258 /nfs/dbraw/zinc/86/22/58/562862258.db2.gz HITJQXXXKUXOAQ-WBCKFURZSA-N 0 3 764.923 6.837 1 0 KKAFHN CC[C@H](C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348481 562862272 /nfs/dbraw/zinc/86/22/72/562862272.db2.gz OZSTZBYOVXBASP-ZQAZVOLISA-N 0 3 626.842 6.101 1 0 KKAFHN CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCC(=N)CCC(=N)NC(=O)Cc3ccccc3)s2)c1 ZINC000169698669 562867441 /nfs/dbraw/zinc/86/74/41/562867441.db2.gz XKFWFCLZWSDSPV-UHFFFAOYSA-N 0 3 624.833 5.283 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702201 562868298 /nfs/dbraw/zinc/86/82/98/562868298.db2.gz IEAJHUICXWPQSG-IBGZPJMESA-N 0 3 545.087 6.084 1 0 KKAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000169707552 562870062 /nfs/dbraw/zinc/87/00/62/562870062.db2.gz IOGNPABAZCILJZ-YKSBVNFPSA-N 0 3 663.097 5.463 1 0 KKAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC)CC3)nc2)c1 ZINC000169711518 562870984 /nfs/dbraw/zinc/87/09/84/562870984.db2.gz CNITVICGFVKTCM-UHFFFAOYSA-N 0 3 586.693 5.278 1 0 KKAFHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)OC(C)(C)C ZINC000195499635 562872010 /nfs/dbraw/zinc/87/20/10/562872010.db2.gz AVDIGXKFDNTSGD-WYDAKKJLSA-N 0 3 637.818 5.707 1 0 KKAFHN O=NC=C1C=CN(CCOCCOCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C=C1 ZINC000199495067 562873006 /nfs/dbraw/zinc/87/30/06/562873006.db2.gz TYYMSUNPQDIGKU-UHFFFAOYSA-N 0 3 503.643 5.284 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnn(C5CC[NH2+]CC5)c4)c3c2)cc(Cl)c1[O-] ZINC000203796691 562874112 /nfs/dbraw/zinc/87/41/12/562874112.db2.gz VDRVFDWZDSNFIX-UHFFFAOYSA-N 0 3 518.017 5.727 1 0 KKAFHN Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCCN(Cc5ccccc5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430470 562874538 /nfs/dbraw/zinc/87/45/38/562874538.db2.gz MOISIFKTLSDCMP-AREMUKBSSA-N 0 3 548.695 5.791 1 0 KKAFHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)C1 ZINC000206718747 562876540 /nfs/dbraw/zinc/87/65/40/562876540.db2.gz IBBMVDZVJHYHGH-QHCPKHFHSA-N 0 3 564.082 7.308 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)cc12 ZINC000221458231 562879000 /nfs/dbraw/zinc/87/90/00/562879000.db2.gz SPEKQSDIHIDYJX-UHFFFAOYSA-N 0 3 632.249 8.248 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224100999 562880356 /nfs/dbraw/zinc/88/03/56/562880356.db2.gz ILSKQZCULNKRSM-XDCSYDRFSA-N 0 3 637.583 7.201 1 0 KKAFHN C[C@@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253638456 562882470 /nfs/dbraw/zinc/88/24/70/562882470.db2.gz RCIMAYJLHGXJSS-NAOGDZDTSA-N 0 3 509.137 5.127 1 0 KKAFHN C[C@@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253638456 562882471 /nfs/dbraw/zinc/88/24/71/562882471.db2.gz RCIMAYJLHGXJSS-NAOGDZDTSA-N 0 3 509.137 5.127 1 0 KKAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC[C@@H](N(C)C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299830339 562885240 /nfs/dbraw/zinc/88/52/40/562885240.db2.gz MQQQMEUUNLSUHC-AREMUKBSSA-N 0 3 568.722 5.232 1 0 KKAFHN C[C@@H]1N[C@H](C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)Cc2c3ccccc3[nH]c21 ZINC000299833143 562886116 /nfs/dbraw/zinc/88/61/16/562886116.db2.gz HSQBZWURRKNSMR-LGGPFLRQSA-N 0 3 509.698 5.959 1 0 KKAFHN Nc1nc(-c2ccc(CCN3CCN(CCCN4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834990 562886642 /nfs/dbraw/zinc/88/66/42/562886642.db2.gz UMHZOLUFZKPYFU-UHFFFAOYSA-N 0 3 580.846 5.350 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)ccc1OC(C)=O ZINC000299835204 562886751 /nfs/dbraw/zinc/88/67/51/562886751.db2.gz MAMFJAYMYAHCFZ-UHFFFAOYSA-N 0 3 512.650 6.513 1 0 KKAFHN Cc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1 ZINC000299837745 562887600 /nfs/dbraw/zinc/88/76/00/562887600.db2.gz PKJCNVBPDXZMDO-RUZDIDTESA-N 0 3 527.587 5.170 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3OC)ccc2OC)c1 ZINC000299838431 562887866 /nfs/dbraw/zinc/88/78/66/562887866.db2.gz QOOLNTNZYXDWAM-UHFFFAOYSA-N 0 3 552.671 6.772 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299854677 562891419 /nfs/dbraw/zinc/89/14/19/562891419.db2.gz AGELYORQPXWSGA-HKBQPEDESA-N 0 3 501.671 5.837 1 0 KKAFHN COc1cc2oc(-c3ccc(OCC(=O)NCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299866642 562894698 /nfs/dbraw/zinc/89/46/98/562894698.db2.gz PGNONTQJYACCOC-UHFFFAOYSA-N 0 3 700.232 7.734 1 0 KKAFHN O=C1[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)N(CC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc21 ZINC000299867868 562894970 /nfs/dbraw/zinc/89/49/70/562894970.db2.gz YYGFRZOBIIQIRV-LDLOPFEMSA-N 0 3 725.871 6.838 1 0 KKAFHN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCN2CCN(C)CC2)COC1=O ZINC000473087601 562897205 /nfs/dbraw/zinc/89/72/05/562897205.db2.gz KUZYQJWAYACNPP-MTZNQXOKSA-N 0 3 736.859 5.271 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3Cl)c(=O)n2C)cc1F ZINC000473088596 562897366 /nfs/dbraw/zinc/89/73/66/562897366.db2.gz ISZWBTOGMFFOKI-UHFFFAOYSA-N 0 3 689.188 5.895 1 0 KKAFHN COc1ccccc1C[N@H+](C)CCCCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1 ZINC000473113685 562898829 /nfs/dbraw/zinc/89/88/29/562898829.db2.gz KBUGIWBZWDDJOB-UHFFFAOYSA-N 0 3 547.648 6.263 1 0 KKAFHN COc1ccccc1C[N@@H+](C)CCCCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1 ZINC000473113685 562898830 /nfs/dbraw/zinc/89/88/30/562898830.db2.gz KBUGIWBZWDDJOB-UHFFFAOYSA-N 0 3 547.648 6.263 1 0 KKAFHN COc1cc2oc(-c3ccc(OCCCN4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114904 562899007 /nfs/dbraw/zinc/89/90/07/562899007.db2.gz PIWGCLAVDQQKGT-UHFFFAOYSA-N 0 3 544.648 5.073 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CCCC4)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000473199099 562903751 /nfs/dbraw/zinc/90/37/51/562903751.db2.gz XTTWQCDADHLMSV-UILWBTOOSA-N 0 3 536.116 6.597 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1cccc(Br)c1 ZINC000653714254 562908380 /nfs/dbraw/zinc/90/83/80/562908380.db2.gz JEEVMYLVUPBCFP-YTTGMZPUSA-N 0 3 586.530 6.534 1 0 KKAFHN c1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000653715470 562908497 /nfs/dbraw/zinc/90/84/97/562908497.db2.gz QKQBZIDKURWDHD-UHFFFAOYSA-N 0 3 502.684 5.791 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccc(OC(F)(F)F)cc4)nn3)cc1)CC2 ZINC000653717542 562908578 /nfs/dbraw/zinc/90/85/78/562908578.db2.gz PPKSHBCIGCDTAM-UHFFFAOYSA-N 0 3 554.569 5.363 1 0 KKAFHN NC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653757103 562910987 /nfs/dbraw/zinc/91/09/87/562910987.db2.gz OMHUCXFOELCCKH-UHFFFAOYSA-N 0 3 542.565 5.143 1 0 KKAFHN O=c1c(=O)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653842858 562914974 /nfs/dbraw/zinc/91/49/74/562914974.db2.gz PDZWACLMJXTIDC-QZTJIDSGSA-N 0 3 503.487 5.141 1 0 KKAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1 ZINC000653866761 562916233 /nfs/dbraw/zinc/91/62/33/562916233.db2.gz RKXGEBJVNGSICG-UHFFFAOYSA-N 0 3 550.107 5.045 1 0 KKAFHN OCCN1CCN(C[C@@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000653866793 562916267 /nfs/dbraw/zinc/91/62/67/562916267.db2.gz VVXQETWWQMXUFT-SANMLTNESA-N 0 3 536.076 5.305 1 0 KKAFHN C[C@H]1CCc2nc3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4nc4c3C[C@@H](C)CC4)c2C1 ZINC000653907644 562917666 /nfs/dbraw/zinc/91/76/66/562917666.db2.gz WFTOWPHCMOXYKS-VXKWHMMOSA-N 0 3 575.628 8.268 1 0 KKAFHN CCO[C@H]1CCc2nc3cc(Cl)ccc3c(NCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3C[C@@H](OCC)CC4)c2C1 ZINC000653913888 562917783 /nfs/dbraw/zinc/91/77/83/562917783.db2.gz OQYUUFBXSSRQOH-VMPREFPWSA-N 0 3 677.761 8.976 1 0 KKAFHN CN(C)CCOc1ncc(Nc2cc(N3CC[C@@H](c4ccccc4Cl)C3)nc3cc(F)c(F)cc32)cc1F ZINC000653915596 562917860 /nfs/dbraw/zinc/91/78/60/562917860.db2.gz AZLINZKGCNELEI-QGZVFWFLSA-N 0 3 542.005 6.378 1 0 KKAFHN COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085507925 565132331 /nfs/dbraw/zinc/13/23/31/565132331.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 0 3 608.735 6.859 1 0 biogenic,in-vitro KKAFHN CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OC[C@H]([C@H]2[C@@H](O)c4cc(OC)c(CNC)cc4O[C@H]2CCCOC)[C@@H]3O)cc1O ZINC000085592862 565148415 /nfs/dbraw/zinc/14/84/15/565148415.db2.gz HERCRILIJZGNFQ-MWIFBORNSA-N 0 3 699.841 6.234 1 0 biogenic,in-vitro KKAFHN CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC3CCCC3)c2)c1 ZINC000085632251 565165895 /nfs/dbraw/zinc/16/58/95/565165895.db2.gz NTCLQENKIWXCMU-MYWKAQKNSA-N 0 3 641.785 5.715 1 0 biogenic,in-vitro KKAFHN O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3C[C@H]4C[C@@H]3CN4C3CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026662177 581099569 /nfs/dbraw/zinc/09/95/69/581099569.db2.gz BVWOUNUDMYJKNG-IAGOWNOFSA-N 0 3 574.484 6.604 1 0 KKAFHN CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OCCCO)c2)CO5)CCCCC1 ZINC000085567470 291939816 /nfs/dbraw/zinc/93/98/16/291939816.db2.gz HUHNWZDYMZMCLM-BUEDQJMWSA-N 0 3 662.780 5.211 1 0 biogenic,in-vitro KKAFHN Cc1sc2c(cc(Cl)cc2Cl)c1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000001494078 561676460 /nfs/dbraw/zinc/67/64/60/561676460.db2.gz CDCONTWJOGMNAX-UHFFFAOYSA-N 0 3 507.468 5.275 1 0 KKAFHN CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2Cl)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546524 561677271 /nfs/dbraw/zinc/67/72/71/561677271.db2.gz ZXHYOTVTZJSURW-QFIPXVFZSA-N 0 3 522.885 6.484 1 0 KKAFHN CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2OC(C)C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546526 561677273 /nfs/dbraw/zinc/67/72/73/561677273.db2.gz KTYIETCDDNNOLD-RUZDIDTESA-N 0 3 546.520 6.618 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000003929648 561687082 /nfs/dbraw/zinc/68/70/82/561687082.db2.gz WMCJTEMIOYSTDL-RUZDIDTESA-N 0 3 563.783 7.190 1 0 KKAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCCCCOc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000004963480 561695562 /nfs/dbraw/zinc/69/55/62/561695562.db2.gz RAJHPEZTXURJCC-UHFFFAOYSA-N 0 3 606.532 5.185 1 0 KKAFHN O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCN(c4ccc(Cl)cc4)CC3)cc12 ZINC000013454384 561713508 /nfs/dbraw/zinc/71/35/08/561713508.db2.gz MUONKNLCAXBBSN-UHFFFAOYSA-N 0 3 517.069 6.875 1 0 KKAFHN CC(=O)c1cccc(NC(=O)Nc2cccc(C(N)=O)c2CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475864 561714661 /nfs/dbraw/zinc/71/46/61/561714661.db2.gz LKKLZPRTDLZFAX-UHFFFAOYSA-N 0 3 502.590 5.226 1 0 KKAFHN CCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000013478808 561714957 /nfs/dbraw/zinc/71/49/57/561714957.db2.gz FUJROZNTHVDCOK-UHFFFAOYSA-N 0 3 523.464 6.330 1 0 KKAFHN CCOc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487766 561715290 /nfs/dbraw/zinc/71/52/90/561715290.db2.gz IAGLKMDFSLVFID-UHFFFAOYSA-N 0 3 509.242 5.456 1 0 in-vitro KKAFHN CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000013492457 561716225 /nfs/dbraw/zinc/71/62/25/561716225.db2.gz LBXFDRUJLUIFOC-UHFFFAOYSA-N 0 3 536.713 5.720 1 0 KKAFHN COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2)c1Cl ZINC000013643411 561722334 /nfs/dbraw/zinc/72/23/34/561722334.db2.gz NDVCFINRSAXDMP-UHFFFAOYSA-N 0 3 514.453 5.665 1 0 KKAFHN COc1cc(OC)c([C@H](CCN2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000013661002 561723509 /nfs/dbraw/zinc/72/35/09/561723509.db2.gz PIGIYURZSILWDZ-AREMUKBSSA-N 0 3 527.665 5.220 3 0 KKAFHN O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675670 561724071 /nfs/dbraw/zinc/72/40/71/561724071.db2.gz NFWZCWJFWPWUFN-UHFFFAOYSA-N 0 3 503.090 6.970 1 0 KKAFHN C[C@H]1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759423 561727433 /nfs/dbraw/zinc/72/74/33/561727433.db2.gz SSJMCDCGDWFBTC-XMMPIXPASA-N 0 3 502.728 5.767 1 0 KKAFHN Fc1ccc(C(OCCNC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000013780742 561729171 /nfs/dbraw/zinc/72/91/71/561729171.db2.gz YOXNDJORNITOMF-MUUNZHRXSA-N 0 3 500.589 6.128 1 0 KKAFHN FC(F)(F)c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812902 561731764 /nfs/dbraw/zinc/73/17/64/561731764.db2.gz UOFOKNBGWSHUMG-HXUOFSJXSA-N 0 3 510.603 7.789 3 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccc(F)cc2F)c2ccc(F)cc2F)CC1 ZINC000013824899 561732778 /nfs/dbraw/zinc/73/27/78/561732778.db2.gz HPUPORXOVFFDTA-UHFFFAOYSA-N 0 3 529.574 6.767 1 0 KKAFHN O=C1CCN(CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013829991 561733221 /nfs/dbraw/zinc/73/32/21/561733221.db2.gz LIPXDRRTIGUPAP-AREMUKBSSA-N 0 3 523.540 5.930 1 0 KKAFHN CN(C)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834295 561734098 /nfs/dbraw/zinc/73/40/98/561734098.db2.gz OUAGFELHOPVSSU-UHFFFAOYSA-N 0 3 500.664 6.436 1 0 KKAFHN CCSCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834311 561734162 /nfs/dbraw/zinc/73/41/62/561734162.db2.gz XXSHGPGEHZSAPF-UHFFFAOYSA-N 0 3 531.743 7.623 1 0 KKAFHN CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000014141249 561737039 /nfs/dbraw/zinc/73/70/39/561737039.db2.gz OFQCVYOFPPDYDD-MGBGTMOVSA-N 0 3 554.666 5.055 1 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)CCCC1 ZINC000014946310 561743490 /nfs/dbraw/zinc/74/34/90/561743490.db2.gz UAGMFLGLVVWYFR-UHFFFAOYSA-N 0 3 561.601 9.322 1 0 KKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000014946306 561743494 /nfs/dbraw/zinc/74/34/94/561743494.db2.gz MBPKTUUBOVNOPG-UHFFFAOYSA-N 0 3 559.198 8.530 1 0 KKAFHN Fc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5ncc(-c6nnn[n-]6)cc5-c5ccccc5)cc4)CC3)nc2c1 ZINC000014957996 561748148 /nfs/dbraw/zinc/74/81/48/561748148.db2.gz PLIPTRZNWFRKNU-UHFFFAOYSA-N 0 3 530.611 5.991 1 0 KKAFHN Fc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5ncc(-c6nn[n-]n6)cc5-c5ccccc5)cc4)CC3)nc2c1 ZINC000014957996 561748149 /nfs/dbraw/zinc/74/81/49/561748149.db2.gz PLIPTRZNWFRKNU-UHFFFAOYSA-N 0 3 530.611 5.991 1 0 KKAFHN O=C1NCc2c(-c3ccccc3Cl)nc(N[C@H]3CN4CCC3CC4)nc2N1c1c(Cl)cccc1Cl ZINC000014962986 561748680 /nfs/dbraw/zinc/74/86/80/561748680.db2.gz GVXWRVFQOVOOLI-FQEVSTJZSA-N 0 3 529.859 5.971 1 0 KKAFHN Oc1ccc(-c2nn3c(nc(C(F)(F)F)cc3C(F)(F)F)c2-c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000014970946 561751063 /nfs/dbraw/zinc/75/10/63/561751063.db2.gz IDPLITSZGZBIIZ-UHFFFAOYSA-N 0 3 550.503 6.671 1 0 KKAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 ZINC000014970549 561751068 /nfs/dbraw/zinc/75/10/68/561751068.db2.gz ZYAIAJWIMAJKGE-FIRIVFDPSA-N 0 3 562.718 5.144 1 0 KKAFHN Oc1ccc2c(c1)sc(-c1ccc(Br)cc1)c2Oc1ccc(OCCN2CCCCC2)cc1 ZINC000014970922 561751110 /nfs/dbraw/zinc/75/11/10/561751110.db2.gz FLWLHDOBICBSTN-UHFFFAOYSA-N 0 3 524.480 7.693 1 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CCN1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545806 561755997 /nfs/dbraw/zinc/75/59/97/561755997.db2.gz BNFZUJXLJVBSSL-HSZRJFAPSA-N 0 3 553.696 6.187 3 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000017611838 561757101 /nfs/dbraw/zinc/75/71/01/561757101.db2.gz JEKDOWMTUCHNIR-KYJUHHDHSA-N 0 3 608.735 6.859 1 0 aggregator KKAFHN O[C@H](CSCc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022444456 561759077 /nfs/dbraw/zinc/75/90/77/561759077.db2.gz SVRLSZPXGSBDMH-LJAQVGFWSA-N 0 3 510.694 5.789 1 0 KKAFHN CN(C)CCN1CCN(c2cc3c(nc2Sc2ccc(F)cc2F)CNC(=O)N3c2c(Cl)cccc2Cl)CC1 ZINC000022448559 561759185 /nfs/dbraw/zinc/75/91/85/561759185.db2.gz DQXZQCNGYTVWJL-UHFFFAOYSA-N 0 3 593.531 5.863 1 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1c(C)cccc1OCCCCCCN1CCN(C)CC1 ZINC000022925865 561759701 /nfs/dbraw/zinc/75/97/01/561759701.db2.gz WYFKUBJWMBRINL-UHFFFAOYSA-N 0 3 523.725 6.405 1 0 KKAFHN Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927055 561759835 /nfs/dbraw/zinc/75/98/35/561759835.db2.gz ZFUXAIFGGCQFFK-VXKWHMMOSA-N 0 3 502.625 5.479 1 0 KKAFHN CC(C)[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCN(C(C)C)CC1)c1ccccc1 ZINC000022941797 561761197 /nfs/dbraw/zinc/76/11/97/561761197.db2.gz SDCLQZSZNIDDCP-YTTGMZPUSA-N 0 3 520.721 6.555 1 0 KKAFHN Cc1cccc([O-])c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941899 561761209 /nfs/dbraw/zinc/76/12/09/561761209.db2.gz MUZZKZIHYIHBGE-SFTDATJTSA-N 0 3 503.609 5.481 1 0 KKAFHN Cc1cccc([O-])c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941899 561761211 /nfs/dbraw/zinc/76/12/11/561761211.db2.gz MUZZKZIHYIHBGE-SFTDATJTSA-N 0 3 503.609 5.481 1 0 KKAFHN CC(C)(C)C(=O)O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257020 561761354 /nfs/dbraw/zinc/76/13/54/561761354.db2.gz YBEIFGQJPMCNPV-XMMPIXPASA-N 0 3 580.705 5.088 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCCC2 ZINC000026008722 561765748 /nfs/dbraw/zinc/76/57/48/561765748.db2.gz RVLMCLGUQRGIEP-UHFFFAOYSA-N 0 3 647.260 7.245 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCNC(C)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000026013093 561765988 /nfs/dbraw/zinc/76/59/88/561765988.db2.gz LALSXLMJCFUYIJ-UHFFFAOYSA-N 0 3 711.826 6.410 1 0 KKAFHN COc1ccc([C@@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC ZINC000026274513 561777926 /nfs/dbraw/zinc/77/79/26/561777926.db2.gz GINSMERMFDOMOV-MUUNZHRXSA-N 0 3 501.733 6.913 1 0 KKAFHN COc1cc(OC2CCN([C@H]3CCCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277871 561778549 /nfs/dbraw/zinc/77/85/49/561778549.db2.gz ADMOZSRFKYYPSU-HKBQPEDESA-N 0 3 614.718 5.912 1 0 KKAFHN CN(C[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026281436 561779015 /nfs/dbraw/zinc/77/90/15/561779015.db2.gz FSVMBYSTSUIRJD-HSZRJFAPSA-N 0 3 551.518 6.219 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c(-c5ccccc5)c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026156805 561768291 /nfs/dbraw/zinc/76/82/91/561768291.db2.gz NEFZIEFFQVCRSS-QWWNLRCWSA-N 0 3 516.641 5.753 1 0 KKAFHN CCCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497718 561794720 /nfs/dbraw/zinc/79/47/20/561794720.db2.gz LLKSCDDQBXZAHO-GDLZYMKVSA-N 0 3 645.788 7.013 1 0 KKAFHN COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1 ZINC000026395661 561786925 /nfs/dbraw/zinc/78/69/25/561786925.db2.gz KCJPPLTYDMRSJI-UHFFFAOYSA-N 0 3 529.702 7.096 1 0 KKAFHN COc1cc(Cn2c3ccccc3nc2-c2ccc(OCCN3CCCC3=O)cc2)ccc1CN1CCCC1 ZINC000026398644 561787756 /nfs/dbraw/zinc/78/77/56/561787756.db2.gz FBPNHKVZZSJIMP-UHFFFAOYSA-N 0 3 524.665 5.357 1 0 KKAFHN C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@H](Cc5c[nH]c6ccccc56)C(=O)[N-]C(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469304 561790133 /nfs/dbraw/zinc/79/01/33/561790133.db2.gz SUONVKFDJJYYME-JOCIVYRRSA-N 0 3 665.798 7.101 1 0 KKAFHN C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@H](Cc5c[nH]c6ccccc56)C(=O)[N-]C(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469304 561790135 /nfs/dbraw/zinc/79/01/35/561790135.db2.gz SUONVKFDJJYYME-JOCIVYRRSA-N 0 3 665.798 7.101 1 0 KKAFHN CN(C[C@@H](CCN1CCC(N(C)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026502168 561795823 /nfs/dbraw/zinc/79/58/23/561795823.db2.gz NWQXLBPAPDKSFG-MUUNZHRXSA-N 0 3 549.737 5.214 1 0 KKAFHN Cn1cc(Cc2cn(CC(=O)N(CCCN3CCN(C)CC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026578097 561802829 /nfs/dbraw/zinc/80/28/29/561802829.db2.gz UYBIRMFTNJZIJL-UHFFFAOYSA-N 0 3 728.338 5.986 1 0 KKAFHN O=S(=O)([N-]CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(Br)c(Br)s1 ZINC000026578377 561803254 /nfs/dbraw/zinc/80/32/54/561803254.db2.gz OIUFCVLTTOUMIZ-UHFFFAOYSA-N 0 3 665.905 5.263 1 0 KKAFHN O=C(OC[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000026579147 561804177 /nfs/dbraw/zinc/80/41/77/561804177.db2.gz BHTTVKSUOKJDOR-JRTUOMDPSA-N 0 3 542.528 6.479 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000026580315 561805793 /nfs/dbraw/zinc/80/57/93/561805793.db2.gz SUMKUTBDVXRKCI-OAQYLSRUSA-N 0 3 613.654 5.670 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(C)(=O)=O)cc2ccccc21 ZINC000026659832 561810168 /nfs/dbraw/zinc/81/01/68/561810168.db2.gz ZJEFRQVWWPNTJA-WWUDGXSDSA-N 0 3 685.739 7.413 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(N)(=O)=O)cc2ccccc21 ZINC000026670374 561812174 /nfs/dbraw/zinc/81/21/74/561812174.db2.gz DGMLGHXEKBUEAR-HPXOLRGVSA-N 0 3 686.727 6.657 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026672162 561812636 /nfs/dbraw/zinc/81/26/36/561812636.db2.gz JPUGXAMECQJERZ-KDXMTYKHSA-N 0 3 737.725 7.174 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccc(F)cc3)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)CC1 ZINC000026671776 561812641 /nfs/dbraw/zinc/81/26/41/561812641.db2.gz FLHDOLQPNXOYNQ-LDLOPFEMSA-N 0 3 686.825 5.893 1 0 KKAFHN COc1ccc([C@@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000026716060 561814039 /nfs/dbraw/zinc/81/40/39/561814039.db2.gz XBURWGMHOIWDHZ-WBCKFURZSA-N 0 3 717.867 6.283 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CNCc2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026717594 561814492 /nfs/dbraw/zinc/81/44/92/561814492.db2.gz JAKIBYOBSIHNSU-UHFFFAOYSA-N 0 3 514.073 6.346 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026720552 561815036 /nfs/dbraw/zinc/81/50/36/561815036.db2.gz BSVGNAQMDXJFNE-DHUJRADRSA-N 0 3 665.618 6.664 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026721077 561815163 /nfs/dbraw/zinc/81/51/63/561815163.db2.gz VDAMCZUHIJCJPK-WBCKFURZSA-N 0 3 704.843 7.018 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5Oc5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026729833 561816694 /nfs/dbraw/zinc/81/66/94/561816694.db2.gz SSFSWVIFTITAGI-BESSAKRQSA-N 0 3 506.602 5.365 1 0 KKAFHN O=C1CC2(CCN(CC[C@H](CN3C(=O)N[C@@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026835397 561824047 /nfs/dbraw/zinc/82/40/47/561824047.db2.gz MGIDXWHXFOXZPR-GIGWZHCTSA-N 0 3 542.079 5.727 1 0 KKAFHN COc1c(C(C)(C)C)cc([C@@H]2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C ZINC000026836303 561824378 /nfs/dbraw/zinc/82/43/78/561824378.db2.gz WEGQVYKRFYKPBT-LJAQVGFWSA-N 0 3 556.769 5.994 1 0 KKAFHN O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840405 561825538 /nfs/dbraw/zinc/82/55/38/561825538.db2.gz COQRQYDTULKQEN-GBNWJTIOSA-N 0 3 576.162 5.132 1 0 KKAFHN CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CCCc3ccccc3)C[C@@H]2C)cc1 ZINC000026968501 561830208 /nfs/dbraw/zinc/83/02/08/561830208.db2.gz FBWUFLYPVWIVGR-OEYLZLLESA-N 0 3 527.753 6.294 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026971456 561830466 /nfs/dbraw/zinc/83/04/66/561830466.db2.gz IKTCQXBLEMUSIF-HYBUGGRVSA-N 0 3 545.558 5.408 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4OCC4CC4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027092498 561837425 /nfs/dbraw/zinc/83/74/25/561837425.db2.gz NCTBMRDHRHPUBF-TVGHXLIYSA-N 0 3 559.106 5.099 1 0 KKAFHN COc1ccc([S@](=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027100765 561838737 /nfs/dbraw/zinc/83/87/37/561838737.db2.gz GWYBBAGPQDTKBI-WBCKFURZSA-N 0 3 588.770 5.387 1 0 KKAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027102731 561839270 /nfs/dbraw/zinc/83/92/70/561839270.db2.gz URBMBIPANSKQOM-GDLZYMKVSA-N 0 3 665.279 5.030 1 0 KKAFHN CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027191357 561843497 /nfs/dbraw/zinc/84/34/97/561843497.db2.gz LDCWRCFCYHTIGC-UHFFFAOYSA-N 0 3 580.666 7.019 1 0 KKAFHN O=C(Cc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1)NCC1CCN(c2ccncc2)CC1 ZINC000027208137 561846435 /nfs/dbraw/zinc/84/64/35/561846435.db2.gz HHCJCDRJLOXERL-UHFFFAOYSA-N 0 3 510.461 5.024 1 0 KKAFHN O=C(Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2ccncc2)CC1 ZINC000027208137 561846437 /nfs/dbraw/zinc/84/64/37/561846437.db2.gz HHCJCDRJLOXERL-UHFFFAOYSA-N 0 3 510.461 5.024 1 0 KKAFHN COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(/C=C/C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000027308979 561850356 /nfs/dbraw/zinc/85/03/56/561850356.db2.gz ICGNIALTNZWGJF-FLFKKZLDSA-N 0 3 708.948 5.167 1 0 KKAFHN CN(CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323212 561853015 /nfs/dbraw/zinc/85/30/15/561853015.db2.gz OAXCAPTYJDLJCD-UHFFFAOYSA-N 0 3 510.487 6.872 1 0 KKAFHN CCCC[C@@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C ZINC000027441981 561860826 /nfs/dbraw/zinc/86/08/26/561860826.db2.gz NHQNXUAJLTWRDQ-IRPSRAIASA-N 0 3 550.769 6.038 1 0 KKAFHN O=C(CCNCc1ccccc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027442968 561861008 /nfs/dbraw/zinc/86/10/08/561861008.db2.gz VQBLBCJXKBJGMF-SSEXGKCCSA-N 0 3 591.200 5.028 1 0 KKAFHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)C[C@@H]1C ZINC000027520763 561863741 /nfs/dbraw/zinc/86/37/41/561863741.db2.gz CAZKDDQXONGRTE-ROUUACIJSA-N 0 3 543.461 6.169 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1F ZINC000027547128 561867080 /nfs/dbraw/zinc/86/70/80/561867080.db2.gz ZOBKHHUMXIJHCW-LJAQVGFWSA-N 0 3 567.677 5.564 1 0 KKAFHN CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1I ZINC000027548349 561867497 /nfs/dbraw/zinc/86/74/97/561867497.db2.gz UZLHHXZKHRNPOE-UHFFFAOYSA-N 0 3 578.458 5.528 1 0 KKAFHN CCOc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)cc1I ZINC000027548349 561867499 /nfs/dbraw/zinc/86/74/99/561867499.db2.gz UZLHHXZKHRNPOE-UHFFFAOYSA-N 0 3 578.458 5.528 1 0 KKAFHN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552447 561868308 /nfs/dbraw/zinc/86/83/08/561868308.db2.gz FXOJKPLALHHTKM-JGCGQSQUSA-N 0 3 555.744 6.555 1 0 KKAFHN COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027552349 561868322 /nfs/dbraw/zinc/86/83/22/561868322.db2.gz RUYAQBZRWRWQHR-LJAQVGFWSA-N 0 3 515.679 6.608 1 0 KKAFHN COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027552349 561868324 /nfs/dbraw/zinc/86/83/24/561868324.db2.gz RUYAQBZRWRWQHR-LJAQVGFWSA-N 0 3 515.679 6.608 1 0 KKAFHN CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CNCc2ccccc2)c(F)c1 ZINC000027564556 561871810 /nfs/dbraw/zinc/87/18/10/561871810.db2.gz KPTSHMWHZORQOR-UHFFFAOYSA-N 0 3 622.644 6.643 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc1)CC2 ZINC000027657015 561877948 /nfs/dbraw/zinc/87/79/48/561877948.db2.gz KZSWNDHPBHRMFS-UHFFFAOYSA-N 0 3 520.629 5.788 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCC(C)C)[C@H](C2=CCN(C(=O)Oc3ccccc3)C=C2)C1C(=O)OCC(C)C ZINC000027724545 561880814 /nfs/dbraw/zinc/88/08/14/561880814.db2.gz JFEJSTCNQWJNJZ-GAPOMRBKSA-N 0 3 508.615 5.947 1 0 KKAFHN N=C1NC(=N)N(c2cccc(Cl)c2)[C@H](c2cccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)c2)N1 ZINC000027732635 561881431 /nfs/dbraw/zinc/88/14/31/561881431.db2.gz JGKAPLMXNSTCCA-JOCHJYFZSA-N 0 3 553.277 6.296 1 0 KKAFHN CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(c3ccccc3)CC1)c1ccccc1S2 ZINC000027866345 561887796 /nfs/dbraw/zinc/88/77/96/561887796.db2.gz DSGHHFSKTBVPFA-UHFFFAOYSA-N 0 3 507.725 5.809 1 0 KKAFHN COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)CN(C)C)cc2)ccc1CN1CCCC1 ZINC000027863242 561887458 /nfs/dbraw/zinc/88/74/58/561887458.db2.gz GFJWUHJYTGWVPI-UHFFFAOYSA-N 0 3 529.706 5.969 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997263 561893987 /nfs/dbraw/zinc/89/39/87/561893987.db2.gz PELFAZRJNFXMQV-DHUJRADRSA-N 0 3 684.617 6.222 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028005899 561895497 /nfs/dbraw/zinc/89/54/97/561895497.db2.gz MVLFEXABAZSRER-KCTCJIHVSA-N 0 3 540.752 5.642 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028005899 561895498 /nfs/dbraw/zinc/89/54/98/561895498.db2.gz MVLFEXABAZSRER-KCTCJIHVSA-N 0 3 540.752 5.642 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006751 561895624 /nfs/dbraw/zinc/89/56/24/561895624.db2.gz AXEFQHJHLHVSPB-RZBJZMOUSA-N 0 3 613.605 7.451 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006751 561895626 /nfs/dbraw/zinc/89/56/26/561895626.db2.gz AXEFQHJHLHVSPB-RZBJZMOUSA-N 0 3 613.605 7.451 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007430 561895784 /nfs/dbraw/zinc/89/57/84/561895784.db2.gz PFQMJEOTSDKJES-RKKDRKJOSA-N 0 3 540.752 5.929 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007430 561895786 /nfs/dbraw/zinc/89/57/86/561895786.db2.gz PFQMJEOTSDKJES-RKKDRKJOSA-N 0 3 540.752 5.929 1 0 KKAFHN COc1ccc(OCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012453 561896533 /nfs/dbraw/zinc/89/65/33/561896533.db2.gz AGLFWGJQCMSLJD-UMSFTDKQSA-N 0 3 605.801 5.889 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028014517 561897018 /nfs/dbraw/zinc/89/70/18/561897018.db2.gz POOMWRWFJAPJOF-OAQYLSRUSA-N 0 3 517.522 6.284 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028086839 561899200 /nfs/dbraw/zinc/89/92/00/561899200.db2.gz VNMYGCFDQRWNPO-JGCGQSQUSA-N 0 3 562.707 6.746 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCC3CCCC3)C2)C1 ZINC000028124741 561904791 /nfs/dbraw/zinc/90/47/91/561904791.db2.gz DPIMUOJRFNNAHL-XZWHSSHBSA-N 0 3 584.727 6.615 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCC3CCCC3)C2)C1 ZINC000028124733 561904805 /nfs/dbraw/zinc/90/48/05/561904805.db2.gz DPIMUOJRFNNAHL-LOYHVIPDSA-N 0 3 584.727 6.615 1 0 KKAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)Nc2ccc(-c3ccccc3)cc2)C1)[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000028128393 561905306 /nfs/dbraw/zinc/90/53/06/561905306.db2.gz JTXBXFTVOCSXTB-JSOSNVBQSA-N 0 3 574.169 6.304 1 0 KKAFHN C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028129336 561905434 /nfs/dbraw/zinc/90/54/34/561905434.db2.gz QVFTZVPVDAIMDC-AAUBNCJJSA-N 0 3 561.748 5.527 1 0 KKAFHN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)OCCN4CCCCC4)cc3)nc21 ZINC000028130338 561905602 /nfs/dbraw/zinc/90/56/02/561905602.db2.gz OLWJSODXWCWDPX-UHFFFAOYSA-N 0 3 594.543 6.398 1 0 KKAFHN CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136650 561906687 /nfs/dbraw/zinc/90/66/87/561906687.db2.gz SXVLTSDSQOWRHK-VSGBNLITSA-N 0 3 569.190 5.308 1 0 KKAFHN CCOc1cc(OCC)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCCN(CC)CC)c2=O ZINC000028219203 561907199 /nfs/dbraw/zinc/90/71/99/561907199.db2.gz LVFCENXKFHRMAA-UHFFFAOYSA-N 0 3 513.631 5.775 1 0 KKAFHN COc1cc(Cc2c3ccccc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028223043 561907530 /nfs/dbraw/zinc/90/75/30/561907530.db2.gz DPBPMEFROJVLKV-UHFFFAOYSA-N 0 3 542.745 6.475 1 0 KKAFHN CC(=O)[C@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 ZINC000028340833 561913999 /nfs/dbraw/zinc/91/39/99/561913999.db2.gz YZNDAQVUGOIYLF-LQJZCPKCSA-N 0 3 569.746 5.299 1 0 KKAFHN CC(=O)[C@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 ZINC000028340826 561914044 /nfs/dbraw/zinc/91/40/44/561914044.db2.gz YZNDAQVUGOIYLF-JHOUSYSJSA-N 0 3 569.746 5.299 1 0 KKAFHN Cc1ccc(Cl)c(OC2([C@@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3ccnc3)CCCCC2)c1 ZINC000028347693 561915076 /nfs/dbraw/zinc/91/50/76/561915076.db2.gz AFEMFTNPESLYFE-MUUNZHRXSA-N 0 3 534.104 6.148 1 0 KKAFHN OCCC1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000028368255 561917941 /nfs/dbraw/zinc/91/79/41/561917941.db2.gz UJUYKKWTTSCBQE-URLMMPGGSA-N 0 3 507.652 5.538 1 0 KKAFHN CC(=O)Nc1ccc(C(=O)N(C)C[C@H](CCN2CCC(O)(c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000028375533 561919138 /nfs/dbraw/zinc/91/91/38/561919138.db2.gz QXWPIQQRYZJKEC-VWLOTQADSA-N 0 3 568.545 6.181 1 0 KKAFHN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CCSCC1 ZINC000028385963 561921026 /nfs/dbraw/zinc/92/10/26/561921026.db2.gz RDSDHVFGSILSQU-INIZCTEOSA-N 0 3 545.048 5.378 1 0 KKAFHN COc1ccc(C[C@@H]2[C@H](OC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[C@@H](O)CN2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000028462278 561925510 /nfs/dbraw/zinc/92/55/10/561925510.db2.gz JTRGWAQDIPKDLT-FVIDNIPMSA-N 0 3 620.750 5.551 1 0 KKAFHN O=C(OCCN1CCCCC1)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1 ZINC000028471270 561927004 /nfs/dbraw/zinc/92/70/04/561927004.db2.gz UGLCAVLTXXXLHE-UHFFFAOYSA-N 0 3 523.258 6.251 1 0 KKAFHN Cc1ccc(CN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN2CCN(c3ccncc3)C2=O)cc1 ZINC000028475995 561928156 /nfs/dbraw/zinc/92/81/56/561928156.db2.gz WODLZXWJLATVAU-UHFFFAOYSA-N 0 3 541.095 6.534 1 0 KKAFHN O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028522932 561929716 /nfs/dbraw/zinc/92/97/16/561929716.db2.gz FDCXFDPTGGDPPT-DEOSSOPVSA-N 0 3 542.568 6.537 1 0 KKAFHN COc1ccccc1[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000028523958 561930598 /nfs/dbraw/zinc/93/05/98/561930598.db2.gz IWLOGSSUYJFLKZ-XMMPIXPASA-N 0 3 505.490 5.815 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cccnc3)cs2)cc1 ZINC000028525205 561931172 /nfs/dbraw/zinc/93/11/72/561931172.db2.gz HUTWUVBHFWACHC-PMERELPUSA-N 0 3 570.740 5.462 1 0 KKAFHN O=S(=O)(c1ccc(Br)s1)n1cc([C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028526554 561932211 /nfs/dbraw/zinc/93/22/11/561932211.db2.gz ZHYYDISGIDQJTN-SFHVURJKSA-N 0 3 501.471 5.692 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646376 561945122 /nfs/dbraw/zinc/94/51/22/561945122.db2.gz OSBBNXANCGTXBW-UUWRZZSWSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000028635676 561941021 /nfs/dbraw/zinc/94/10/21/561941021.db2.gz YALBXFIFOCHJSI-RUZDIDTESA-N 0 3 547.490 5.784 1 0 KKAFHN COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636247 561941250 /nfs/dbraw/zinc/94/12/50/561941250.db2.gz QEEMISQABWDGFJ-GDLZYMKVSA-N 0 3 550.707 5.129 1 0 KKAFHN COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000028709291 561950641 /nfs/dbraw/zinc/95/06/41/561950641.db2.gz XUKMGDYJPVBSDG-UMSFTDKQSA-N 0 3 566.723 6.542 1 0 KKAFHN CC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F ZINC000028710177 561951016 /nfs/dbraw/zinc/95/10/16/561951016.db2.gz PHZFASCDZWDOQJ-UHFFFAOYSA-N 0 3 569.643 6.355 1 0 KKAFHN CC(=O)Nc1nc([C@H](CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702723 561947144 /nfs/dbraw/zinc/94/71/44/561947144.db2.gz XYDYESRSSYTWAT-QHCPKHFHSA-N 0 3 652.665 6.616 1 0 KKAFHN CC(C)C(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702795 561947320 /nfs/dbraw/zinc/94/73/20/561947320.db2.gz KJIGJEKEYRGJIH-RUZDIDTESA-N 0 3 640.694 7.445 1 0 KKAFHN O=C1N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000028704481 561948582 /nfs/dbraw/zinc/94/85/82/561948582.db2.gz TXRYRZSQIMOUKK-UHFFFAOYSA-N 0 3 559.645 6.168 1 0 KKAFHN O=C(OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028704285 561948596 /nfs/dbraw/zinc/94/85/96/561948596.db2.gz OWIFBWCJHQUBFT-VPUSJEBWSA-N 0 3 546.133 5.321 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccc(C)nc5)cc4)CC3)C2=O)c1 ZINC000028704496 561948699 /nfs/dbraw/zinc/94/86/99/561948699.db2.gz PIUQYOUZNARGQR-UHFFFAOYSA-N 0 3 564.661 6.208 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cc(F)cc(F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000028713462 561953976 /nfs/dbraw/zinc/95/39/76/561953976.db2.gz QTQASUULOIKNBM-ZOVYIVPUSA-N 0 3 739.864 5.693 1 0 KKAFHN COc1ccc2c(c1)OCC(c1ccc(Br)cc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000028761797 561958238 /nfs/dbraw/zinc/95/82/38/561958238.db2.gz MYHHBTKUCJOXKI-UHFFFAOYSA-N 0 3 506.440 6.284 1 0 KKAFHN CC(=O)Nc1ccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4N(CC6CC6)CC[C@]52[C@@]4(O)C3)cc1 ZINC000028762569 561958444 /nfs/dbraw/zinc/95/84/44/561958444.db2.gz VTEOPMPNIMOFCE-OGICNVKRSA-N 0 3 561.682 5.053 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765216 561959515 /nfs/dbraw/zinc/95/95/15/561959515.db2.gz GLFJJJVLKJNYOY-MGBGTMOVSA-N 0 3 577.596 7.457 1 0 KKAFHN c1ccc(C(CCCN2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816215 561964036 /nfs/dbraw/zinc/96/40/36/561964036.db2.gz LCOHBFLNTLGXJE-OCQXTOTRSA-N 0 3 652.879 9.213 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816283 561964093 /nfs/dbraw/zinc/96/40/93/561964093.db2.gz MAINIDSGKSBIQJ-OCQXTOTRSA-N 0 3 652.879 9.213 1 0 KKAFHN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(-c4nnn[n-]4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823043 561967739 /nfs/dbraw/zinc/96/77/39/561967739.db2.gz JIISZZHGLCYZHX-HSZRJFAPSA-N 0 3 659.732 6.700 1 0 KKAFHN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(-c4nn[n-]n4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823043 561967740 /nfs/dbraw/zinc/96/77/40/561967740.db2.gz JIISZZHGLCYZHX-HSZRJFAPSA-N 0 3 659.732 6.700 1 0 KKAFHN O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000028879341 561976312 /nfs/dbraw/zinc/97/63/12/561976312.db2.gz OQRTUCNCZGBLPM-FQLXRVMXSA-N 0 3 622.178 6.522 1 0 KKAFHN O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972822 /nfs/dbraw/zinc/97/28/22/561972822.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 0 3 620.144 5.040 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)NCc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874978 561975432 /nfs/dbraw/zinc/97/54/32/561975432.db2.gz ISDZBFORXHKYAN-JGCGQSQUSA-N 0 3 584.761 5.567 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC(C)(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874934 561975443 /nfs/dbraw/zinc/97/54/43/561975443.db2.gz HYIZZMKORUTBGZ-MUUNZHRXSA-N 0 3 550.744 5.165 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC(C)(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874930 561975467 /nfs/dbraw/zinc/97/54/67/561975467.db2.gz HYIZZMKORUTBGZ-NDEPHWFRSA-N 0 3 550.744 5.165 1 0 KKAFHN O=C(c1cc2c3ccccc3n(C[C@@H]3CCNC[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCn2ccnc2C1 ZINC000028889712 561978185 /nfs/dbraw/zinc/97/81/85/561978185.db2.gz XOKGJXJBSQRSGL-FNZWTVRRSA-N 0 3 558.057 6.040 1 0 KKAFHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCN(C)CC4)cc3)c3ccccc23)cc1 ZINC000028899794 561979667 /nfs/dbraw/zinc/97/96/67/561979667.db2.gz VFEHODIZKYENNZ-UHFFFAOYSA-N 0 3 586.784 7.690 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039360 561989735 /nfs/dbraw/zinc/98/97/35/561989735.db2.gz LPQTXTTUFMREGA-UMXIMWEHSA-N 0 3 524.027 5.831 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C(=O)OC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039342 561989750 /nfs/dbraw/zinc/98/97/50/561989750.db2.gz SQWVOXOCDCWIEB-WPFOTENUSA-N 0 3 538.010 5.010 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ncco4)c3=O)CC2)C(C)C)c1 ZINC000029061961 561995868 /nfs/dbraw/zinc/99/58/68/561995868.db2.gz KASWPDSWITZTPK-MHZLTWQESA-N 0 3 518.658 5.287 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ncco4)c3=O)CC2)C(C)C)c1 ZINC000029061967 561995914 /nfs/dbraw/zinc/99/59/14/561995914.db2.gz KASWPDSWITZTPK-HHHXNRCGSA-N 0 3 518.658 5.287 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cc(C)on4)c3=O)CC2)C(C)C)c1 ZINC000029061771 561995918 /nfs/dbraw/zinc/99/59/18/561995918.db2.gz IDLRMEJDJHCABK-GDLZYMKVSA-N 0 3 532.685 5.595 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4c[nH]cn4)c3=O)CC2)C(C)C)c1 ZINC000029063890 561996323 /nfs/dbraw/zinc/99/63/23/561996323.db2.gz GTBORSPXGZQYLC-MUUNZHRXSA-N 0 3 517.674 5.022 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cnc[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029063890 561996324 /nfs/dbraw/zinc/99/63/24/561996324.db2.gz GTBORSPXGZQYLC-MUUNZHRXSA-N 0 3 517.674 5.022 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126961 561999152 /nfs/dbraw/zinc/99/91/52/561999152.db2.gz RCVHDPWYXTVRFR-QJJDOSOUSA-N 0 3 554.488 5.786 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000029213478 562006172 /nfs/dbraw/zinc/00/61/72/562006172.db2.gz PMGJGWUEROWQJW-LHEWISCISA-N 0 3 672.830 5.762 1 0 KKAFHN COc1ccc([C@@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000029329241 562013603 /nfs/dbraw/zinc/01/36/03/562013603.db2.gz XNDRHSZPAQLJFC-HSZRJFAPSA-N 0 3 518.466 5.839 1 0 KKAFHN CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2F)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341468 562015351 /nfs/dbraw/zinc/01/53/51/562015351.db2.gz VHKWEWIRNGEUJD-JOCHJYFZSA-N 0 3 506.430 5.969 1 0 KKAFHN COc1cc(C(=O)N2CCOC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029397111 562018887 /nfs/dbraw/zinc/01/88/87/562018887.db2.gz RWSBBXFLRGQFQP-OXCVABKISA-N 0 3 673.659 6.031 1 0 KKAFHN CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029467095 562024593 /nfs/dbraw/zinc/02/45/93/562024593.db2.gz LIMKMXRSWFOHST-UHFFFAOYSA-N 0 3 545.149 7.595 1 0 KKAFHN CCc1sc(CCc2cc(OCCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029468826 562025112 /nfs/dbraw/zinc/02/51/12/562025112.db2.gz OUNBFWKPOLGSDQ-UHFFFAOYSA-N 0 3 607.220 8.428 1 0 KKAFHN CCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029469378 562025180 /nfs/dbraw/zinc/02/51/80/562025180.db2.gz AITMCGFJWPXKEX-UHFFFAOYSA-N 0 3 559.176 7.986 1 0 KKAFHN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553766 562031682 /nfs/dbraw/zinc/03/16/82/562031682.db2.gz WKQSQQHHTZBHTH-DTXPUJKBSA-N 0 3 601.754 5.842 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2c(OC)cccc2OC)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556189 562032060 /nfs/dbraw/zinc/03/20/60/562032060.db2.gz FOHPCRQSIZLSLN-LJAQVGFWSA-N 0 3 552.693 5.302 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2cc(OC)cc(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556633 562032221 /nfs/dbraw/zinc/03/22/21/562032221.db2.gz DYHQEOVEHIOOKX-GDLZYMKVSA-N 0 3 552.693 5.302 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=S)c1 ZINC000029563589 562033818 /nfs/dbraw/zinc/03/38/18/562033818.db2.gz HFVUTJSHZQSUHO-MUUNZHRXSA-N 0 3 552.718 5.814 1 0 KKAFHN COc1ccc(SCCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029563377 562033825 /nfs/dbraw/zinc/03/38/25/562033825.db2.gz FVJVHCWYAPQPJS-UHFFFAOYSA-N 0 3 504.675 6.291 1 0 KKAFHN CC(=O)O[C@H](CSc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029565837 562034311 /nfs/dbraw/zinc/03/43/11/562034311.db2.gz RBGYRZGPRRMUNF-LJAQVGFWSA-N 0 3 538.704 6.219 1 0 KKAFHN CCCCCc1ccc(C(=O)N(CCN2CCCCC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802910 562042227 /nfs/dbraw/zinc/04/22/27/562042227.db2.gz LGVKNYCGCBYCKK-UHFFFAOYSA-N 0 3 512.694 6.943 1 0 KKAFHN O=c1cc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2n1Cc1ccccn1 ZINC000036126670 562047598 /nfs/dbraw/zinc/04/75/98/562047598.db2.gz SHCFFLWIRMAQPN-UHFFFAOYSA-N 0 3 509.053 6.328 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160568 562048507 /nfs/dbraw/zinc/04/85/07/562048507.db2.gz JEOIMYUIHSWTEE-LXANVCGNSA-N 0 3 613.818 7.581 1 0 KKAFHN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cn2)c(F)c1 ZINC000036161516 562048764 /nfs/dbraw/zinc/04/87/64/562048764.db2.gz HODSAEDXHNFKLP-UHFFFAOYSA-N 0 3 548.634 5.516 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177576 562049465 /nfs/dbraw/zinc/04/94/65/562049465.db2.gz HWNUEXICYPJHRL-UXBLZVDNSA-N 0 3 572.364 6.840 1 0 KKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H]1Cc1cccnc1 ZINC000035975121 562046035 /nfs/dbraw/zinc/04/60/35/562046035.db2.gz MINVVCXPGANHIA-SANMLTNESA-N 0 3 511.592 5.272 1 0 KKAFHN CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H](C3CC4(CC4)C3)NC[C@@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080058 562046141 /nfs/dbraw/zinc/04/61/41/562046141.db2.gz RUCJIIMIRGBHTE-WIOPSUGQSA-N 0 3 578.157 5.944 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000036285580 562054214 /nfs/dbraw/zinc/05/42/14/562054214.db2.gz MBUOVFVHMFPNRZ-QFIPXVFZSA-N 0 3 510.000 5.716 1 0 KKAFHN Cc1cc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)ccc1Cl ZINC000036285858 562054515 /nfs/dbraw/zinc/05/45/15/562054515.db2.gz DTKGHZKFFVMHGS-DVECYGJZSA-N 0 3 510.044 6.241 1 0 KKAFHN Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)C2CC2)c1 ZINC000036338828 562057376 /nfs/dbraw/zinc/05/73/76/562057376.db2.gz SFCSGFUQASTWES-UHFFFAOYSA-N 0 3 552.748 5.962 1 0 KKAFHN Cc1cccc(NC(=O)N(Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)C2CC2)c1 ZINC000036338828 562057378 /nfs/dbraw/zinc/05/73/78/562057378.db2.gz SFCSGFUQASTWES-UHFFFAOYSA-N 0 3 552.748 5.962 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000036349207 562057873 /nfs/dbraw/zinc/05/78/73/562057873.db2.gz QDIDJSJXSMBMFE-WJOKGBTCSA-N 0 3 573.745 5.796 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000036351477 562058337 /nfs/dbraw/zinc/05/83/37/562058337.db2.gz CZSUCMAQMLGPBX-CONSDPRKSA-N 0 3 627.151 6.931 1 0 KKAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CCN(CCCC2CCCC2)C1 ZINC000036351478 562058355 /nfs/dbraw/zinc/05/83/55/562058355.db2.gz DPIMUOJRFNNAHL-IHLOFXLRSA-N 0 3 584.727 6.615 1 0 KKAFHN CN(C(=O)N1CC[C@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@H]1CCN(CCCc2ccccc2)C1 ZINC000036351496 562058488 /nfs/dbraw/zinc/05/84/88/562058488.db2.gz TYCHPBQYNABPSC-KYJUHHDHSA-N 0 3 590.690 6.161 1 0 KKAFHN CC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351507 562058534 /nfs/dbraw/zinc/05/85/34/562058534.db2.gz MPNTZIOEROTOBG-WOEHHYBBSA-N 0 3 542.099 5.029 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCOc3ccc(F)cc3)C2)C1 ZINC000036351567 562058726 /nfs/dbraw/zinc/05/87/26/562058726.db2.gz VNZIZMRVSZYHBQ-IZLXSDGUSA-N 0 3 598.641 5.521 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(N)noc5c4)C[C@H]23)CC1 ZINC000036351577 562058736 /nfs/dbraw/zinc/05/87/36/562058736.db2.gz XLHNDXFCDIKZCH-MBEZDYHHSA-N 0 3 574.623 5.160 1 0 KKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCC(c4ccc(F)cc4)CC3)ccc2c1 ZINC000038149730 562066247 /nfs/dbraw/zinc/06/62/47/562066247.db2.gz RQJWJHHGWVZDIQ-UHFFFAOYSA-N 0 3 581.116 7.835 1 0 KKAFHN CC(C)CCN1[C@@H](C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)OC(C)(C)C)CCC[C@@H]1C ZINC000038150641 562066436 /nfs/dbraw/zinc/06/64/36/562066436.db2.gz KQBOOGKXOGILHG-MXSCXNJPSA-N 0 3 536.713 5.564 1 0 KKAFHN CC(C)CCN1CCC[C@@H](C)[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150648 562066461 /nfs/dbraw/zinc/06/64/61/562066461.db2.gz SIZIBPAHPIUMOL-UIUQJESISA-N 0 3 536.713 5.421 1 0 KKAFHN Fc1cc2nc(C(c3ccc(-c4cncnc4)cc3)=C3CCN(CC4CC4)CC3)[nH]c2cc1C(F)(F)F ZINC000038157853 562069592 /nfs/dbraw/zinc/06/95/92/562069592.db2.gz XKXIPIIMLKOLPF-UHFFFAOYSA-N 0 3 507.535 6.486 1 0 KKAFHN CN1CCN(CCCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000038377662 562071634 /nfs/dbraw/zinc/07/16/34/562071634.db2.gz MUHZTXDQFRVJAS-LJAQVGFWSA-N 0 3 706.456 5.938 1 0 KKAFHN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040403390 562074696 /nfs/dbraw/zinc/07/46/96/562074696.db2.gz BDOBNHGYFGVFDD-HSZRJFAPSA-N 0 3 507.581 6.647 1 0 KKAFHN CN(C)C[C@H](Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC000040395255 562074363 /nfs/dbraw/zinc/07/43/63/562074363.db2.gz JPHDHYXYIFJMAG-SANMLTNESA-N 0 3 507.074 5.794 1 0 KKAFHN CCCN1CCc2cc(OC)c(OCc3ccccc3)cc2[C@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000040845991 562080265 /nfs/dbraw/zinc/08/02/65/562080265.db2.gz NYESNMHWIMDRIF-JGCGQSQUSA-N 0 3 507.674 7.405 1 0 KKAFHN CCCN1CCc2cc(OC)c(OCc3ccccc3)cc2[C@@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000040845989 562080316 /nfs/dbraw/zinc/08/03/16/562080316.db2.gz NYESNMHWIMDRIF-YTTGMZPUSA-N 0 3 507.674 7.405 1 0 KKAFHN O=C(NC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 ZINC000040875449 562081995 /nfs/dbraw/zinc/08/19/95/562081995.db2.gz IQKRJMYITRFRAP-ONCRSHKTSA-N 0 3 505.489 7.131 1 0 KKAFHN Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1 ZINC000040898663 562083309 /nfs/dbraw/zinc/08/33/09/562083309.db2.gz PAMZGVTZBVUZBF-AREMUKBSSA-N 0 3 501.552 6.585 1 0 KKAFHN Fc1ccc(Cn2c3ccccc3nc2N2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000040918301 562084258 /nfs/dbraw/zinc/08/42/58/562084258.db2.gz WXSAGLCBIDTEKI-UHFFFAOYSA-N 0 3 529.063 6.050 1 0 KKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000040951405 562085979 /nfs/dbraw/zinc/08/59/79/562085979.db2.gz OVEGYIGDYDWWMF-WEMUVCOSSA-N 0 3 529.640 6.855 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCCCC1 ZINC000040951042 562086059 /nfs/dbraw/zinc/08/60/59/562086059.db2.gz MQIGEJLZKVQZSL-ISKFKSNPSA-N 0 3 526.690 6.012 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCCC1 ZINC000040951819 562086121 /nfs/dbraw/zinc/08/61/21/562086121.db2.gz KIMKESVEZODZRF-UPVQGACJSA-N 0 3 526.690 6.012 1 0 KKAFHN C=CC(=O)O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040974824 562087071 /nfs/dbraw/zinc/08/70/71/562087071.db2.gz ABVNRCMHGLYMGT-SSEXGKCCSA-N 0 3 519.636 5.971 1 0 KKAFHN CC(=O)O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040975804 562087203 /nfs/dbraw/zinc/08/72/03/562087203.db2.gz BOLNQVYXWUWJJK-SSEXGKCCSA-N 0 3 507.625 5.805 1 0 KKAFHN CCC(=O)O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040976246 562087228 /nfs/dbraw/zinc/08/72/28/562087228.db2.gz RHRXILJKQSDOMT-SSEXGKCCSA-N 0 3 521.652 6.195 1 0 KKAFHN CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000042803087 562087987 /nfs/dbraw/zinc/08/79/87/562087987.db2.gz BJAZGJCGTUFTCO-BHBYDHKZSA-N 0 3 592.662 5.299 1 0 KKAFHN Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CCCCC2)cc1 ZINC000043023097 562645001 /nfs/dbraw/zinc/64/50/01/562645001.db2.gz ICFIGBSLHNFWNQ-UHFFFAOYSA-N 0 3 502.917 8.715 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000043066487 562645368 /nfs/dbraw/zinc/64/53/68/562645368.db2.gz AVXNZTZDFIBZSK-SSEXGKCCSA-N 0 3 567.055 7.052 1 0 KKAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000043103414 562645983 /nfs/dbraw/zinc/64/59/83/562645983.db2.gz VWEVKSRTTAUEOH-MHZLTWQESA-N 0 3 637.781 5.022 1 0 KKAFHN O=C(Nc1ccc2c(c1)c1ccccc1n2CCCCN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000044305100 562653342 /nfs/dbraw/zinc/65/33/42/562653342.db2.gz LWVOYZAMQFWJSC-SDNWHVSQSA-N 0 3 542.727 7.158 1 0 KKAFHN COc1ccc2c3c1O[C@H]1c4c(c5c6c(ccc5C(F)(F)F)CCCn64)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000044351379 562654642 /nfs/dbraw/zinc/65/46/42/562654642.db2.gz SDHVXCJESUGXLK-RYCXQYRLSA-N 0 3 536.594 5.314 1 0 KKAFHN CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn43)n2)c1 ZINC000044351492 562654680 /nfs/dbraw/zinc/65/46/80/562654680.db2.gz FIAQPPISVBLQLY-UHFFFAOYSA-N 0 3 605.649 6.673 1 0 KKAFHN COCCN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000044351864 562654909 /nfs/dbraw/zinc/65/49/09/562654909.db2.gz GWRZMVNMDPUMHU-GDLZYMKVSA-N 0 3 583.560 5.508 1 0 KKAFHN CCCCN(CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044360413 562655609 /nfs/dbraw/zinc/65/56/09/562655609.db2.gz JGDYMCMQFALNLD-FIRIVFDPSA-N 0 3 576.653 7.235 1 0 KKAFHN CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044387966 562656229 /nfs/dbraw/zinc/65/62/29/562656229.db2.gz ZAOPQQSGRPEDAY-PIKZIKFNSA-N 0 3 544.567 6.285 1 0 KKAFHN C[C@@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@H]1C2=CC[C@H](C(F)(F)F)[C@H]1NCc1ccc(F)cc1 ZINC000044405660 562656705 /nfs/dbraw/zinc/65/67/05/562656705.db2.gz KWSCVORLARPSMJ-XXHZYJAKSA-N 0 3 525.565 7.173 1 0 KKAFHN CCCN1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC(C)C)c2)C1 ZINC000044417798 562657210 /nfs/dbraw/zinc/65/72/10/562657210.db2.gz LLJQAOJWAQJFPC-UHFFFAOYSA-N 0 3 543.647 5.969 1 0 KKAFHN Cc1cc(C(=O)Nc2ccc3c(ccn3[C@@H]3CCCN(Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192987 562658715 /nfs/dbraw/zinc/65/87/15/562658715.db2.gz REMGAUDCEZSMLC-JOCHJYFZSA-N 0 3 514.523 6.575 1 0 KKAFHN COc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1 ZINC000045193977 562658740 /nfs/dbraw/zinc/65/87/40/562658740.db2.gz YFCIETOSZVTIMA-UHFFFAOYSA-N 0 3 505.662 6.322 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)c1 ZINC000045201057 562658973 /nfs/dbraw/zinc/65/89/73/562658973.db2.gz LNGQTQJNQIXADS-UHFFFAOYSA-N 0 3 508.622 7.659 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)c1 ZINC000045201639 562659035 /nfs/dbraw/zinc/65/90/35/562659035.db2.gz ZWQFHZZYEGYMJB-UHFFFAOYSA-N 0 3 504.659 7.828 1 0 KKAFHN Cc1ccc2c(c1)nc(N1CCC1)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045245350 562659754 /nfs/dbraw/zinc/65/97/54/562659754.db2.gz PZPRCQDQUVGRPJ-UHFFFAOYSA-N 0 3 520.681 5.611 1 0 KKAFHN Clc1ccc2cc(NCCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)cnc2c1 ZINC000045354547 562661863 /nfs/dbraw/zinc/66/18/63/562661863.db2.gz FWQCPSGJMXPDGK-UHFFFAOYSA-N 0 3 509.102 6.112 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCCC1 ZINC000045495845 562662682 /nfs/dbraw/zinc/66/26/82/562662682.db2.gz XCWSAVXACRBMPF-GMAHTHKFSA-N 0 3 512.663 5.622 1 0 KKAFHN O=C(Nc1cccc(Cl)c1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000048307356 562663025 /nfs/dbraw/zinc/66/30/25/562663025.db2.gz PEALYASVUDIBMR-UHFFFAOYSA-N 0 3 571.150 7.074 1 0 KKAFHN CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3ccccc3C)CC1)CC2 ZINC000048999490 562663212 /nfs/dbraw/zinc/66/32/12/562663212.db2.gz CPRSUYJBVWDQCV-MUUNZHRXSA-N 0 3 509.735 6.026 1 0 KKAFHN CCCCc1nc(Cl)c([C@@H]2CC(c3ccc(N)cc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049067175 562663951 /nfs/dbraw/zinc/66/39/51/562663951.db2.gz CQNPJVINSHOTME-NRFANRHFSA-N 0 3 511.482 7.121 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4cccc5ccc(C(F)(F)F)nc54)CC3)CC2)c1 ZINC000049089110 562664369 /nfs/dbraw/zinc/66/43/69/562664369.db2.gz FOYUBTQMQRUAHU-UHFFFAOYSA-N 0 3 521.587 5.601 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCCCC1 ZINC000049113257 562664652 /nfs/dbraw/zinc/66/46/52/562664652.db2.gz OXVDUVSHCWCOFU-ATANMQQVSA-N 0 3 522.690 5.439 1 0 KKAFHN CN1CCN(CCCN(Cc2ccc(-c3ccc(CNCc4ccc5c(c4)OCO5)cc3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000049605079 562665330 /nfs/dbraw/zinc/66/53/30/562665330.db2.gz JZOXKXJFMJGKGZ-UHFFFAOYSA-N 0 3 610.843 6.309 1 0 KKAFHN COc1cc2ccccc2cc1OCCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000049605209 562665487 /nfs/dbraw/zinc/66/54/87/562665487.db2.gz YMYIGUPBKRNGHH-HKBQPEDESA-N 0 3 548.747 5.141 1 0 KKAFHN C[C@@H](NC(=O)N[C@H](CCN1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049605331 562665693 /nfs/dbraw/zinc/66/56/93/562665693.db2.gz NDYVWXJQHKOLHR-SKCUWOTOSA-N 0 3 615.627 6.298 1 0 KKAFHN CSc1nccc(-c2ccc(S(=O)(=O)[N-]C3CCC(C[NH+]4CCC(c5c[nH]c6ccccc65)CC4)CC3)s2)n1 ZINC000049605463 562665929 /nfs/dbraw/zinc/66/59/29/562665929.db2.gz NXCTZZWPJWFTOX-UHFFFAOYSA-N 0 3 581.833 6.125 1 0 KKAFHN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049605492 562665973 /nfs/dbraw/zinc/66/59/73/562665973.db2.gz RLPUHILFDIWVSJ-JLHYYAGUSA-N 0 3 537.026 5.898 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1c(F)cc(F)cc1F ZINC000049605496 562665985 /nfs/dbraw/zinc/66/59/85/562665985.db2.gz DUJPTRZZJZKCEZ-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN N[C@@H](COc1cccc2c(-c3ccncc3)c(-c3cccc(NC(=O)Nc4ccccc4)c3)nn21)c1ccccc1 ZINC000049605643 562666150 /nfs/dbraw/zinc/66/61/50/562666150.db2.gz VCZQYQIDCQEPNR-NDEPHWFRSA-N 0 3 540.627 6.786 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1/C=C/c1ccc(F)cc1 ZINC000049605751 562666290 /nfs/dbraw/zinc/66/62/90/562666290.db2.gz DVCONNKIJOFGMF-VXLYETTFSA-N 0 3 700.781 6.934 1 0 KKAFHN O=C(N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049605820 562666355 /nfs/dbraw/zinc/66/63/55/562666355.db2.gz JMWAICNUPCOKSO-VWLOTQADSA-N 0 3 538.519 6.041 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049614594 562666573 /nfs/dbraw/zinc/66/65/73/562666573.db2.gz QLIXSLLHXFBBJS-MPQUPPDSSA-N 0 3 659.774 6.520 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC3CCCCC3)c2)CC1 ZINC000049615369 562666625 /nfs/dbraw/zinc/66/66/25/562666625.db2.gz SPWXVBHPNBMVMF-UHFFFAOYSA-N 0 3 658.707 5.982 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049615271 562666643 /nfs/dbraw/zinc/66/66/43/562666643.db2.gz DUCYMHLZJLVIHD-PQQNNWGCSA-N 0 3 689.800 6.528 1 0 KKAFHN CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1)c1ccc(I)cc1 ZINC000049615692 562666664 /nfs/dbraw/zinc/66/66/64/562666664.db2.gz IBLWFNXGWOHVQN-AREMUKBSSA-N 0 3 632.489 6.949 1 0 KKAFHN CN(C)C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049625589 562666835 /nfs/dbraw/zinc/66/68/35/562666835.db2.gz CPNOVLLHGKLCTO-UHFFFAOYSA-N 0 3 676.730 7.515 1 0 KKAFHN O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(CCO)CC1 ZINC000049626260 562667086 /nfs/dbraw/zinc/66/70/86/562667086.db2.gz ZCPHVDVXOCTVKZ-UHFFFAOYSA-N 0 3 721.792 7.743 1 0 KKAFHN COc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc54)cc3)CC2)cc1 ZINC000049677744 562668301 /nfs/dbraw/zinc/66/83/01/562668301.db2.gz XUHLUGUZGFIDEE-UHFFFAOYSA-N 0 3 538.696 5.476 1 0 KKAFHN Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 ZINC000049679365 562668816 /nfs/dbraw/zinc/66/88/16/562668816.db2.gz KZTBTZPPFWBWTI-UHFFFAOYSA-N 0 3 532.870 6.012 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710895 562671882 /nfs/dbraw/zinc/67/18/82/562671882.db2.gz JBTYSKIUPAUNTK-MHZLTWQESA-N 0 3 645.471 8.515 1 0 KKAFHN CCN(CC)C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722737 562672483 /nfs/dbraw/zinc/67/24/83/562672483.db2.gz KSGDAKBYAZCXMD-UHFFFAOYSA-N 0 3 704.784 8.295 1 0 KKAFHN COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC ZINC000049722754 562672508 /nfs/dbraw/zinc/67/25/08/562672508.db2.gz WYGHIDQLPZLSFF-NLGDKJDOSA-N 0 3 637.781 5.791 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049722859 562672599 /nfs/dbraw/zinc/67/25/99/562672599.db2.gz MWKSTRQXWPVVMJ-ZRDIBKRKSA-N 0 3 585.498 6.942 1 0 KKAFHN CN1CCN(CCCN(Cc2ccc(-c3cccc(CNCc4ccc5c(c4)OCO5)c3)cc2)C(=O)NC2CCCCC2)CC1 ZINC000049722940 562672674 /nfs/dbraw/zinc/67/26/74/562672674.db2.gz KLOZLPBEPPWRFO-UHFFFAOYSA-N 0 3 611.831 5.854 1 0 KKAFHN Clc1ccc(CN2CCC(N3CCN(c4ncc(CNCc5ccc(Cl)c(Cl)c5)cc4Cl)CC3)CC2)cc1 ZINC000049723056 562672870 /nfs/dbraw/zinc/67/28/70/562672870.db2.gz HWXBHDJUVCXZCH-UHFFFAOYSA-N 0 3 593.430 6.772 1 0 KKAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCS1(=O)=O ZINC000049723185 562673038 /nfs/dbraw/zinc/67/30/38/562673038.db2.gz QQKOTWMTJZYNCP-MFMCTBQISA-N 0 3 656.771 5.516 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccc(F)cc1 ZINC000049723191 562673069 /nfs/dbraw/zinc/67/30/69/562673069.db2.gz WFXSFYWVPMADQL-UHFFFAOYSA-N 0 3 658.740 7.377 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000049744751 562673495 /nfs/dbraw/zinc/67/34/95/562673495.db2.gz CQMBANNXWQESSI-PKNBQFBNSA-N 0 3 553.987 6.351 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049745588 562673949 /nfs/dbraw/zinc/67/39/49/562673949.db2.gz OOGJFMGCOJHKAP-UHFFFAOYSA-N 0 3 592.810 5.258 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2SCc2cccc(F)c2F)CCC3)CC1 ZINC000049745908 562674174 /nfs/dbraw/zinc/67/41/74/562674174.db2.gz MFKRKHZHTCNJSY-UHFFFAOYSA-N 0 3 709.825 8.495 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1 ZINC000049746029 562674212 /nfs/dbraw/zinc/67/42/12/562674212.db2.gz GCTKLNPCQFYBOB-YTTGMZPUSA-N 0 3 599.986 7.028 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5cc(C(F)(F)F)ccc5s4)cc3)c2cc1OCCCN1CCN(C)CC1 ZINC000049756669 562675186 /nfs/dbraw/zinc/67/51/86/562675186.db2.gz AXMDZPQSJQHLHJ-UHFFFAOYSA-N 0 3 608.690 6.694 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(F)c1 ZINC000049756920 562675318 /nfs/dbraw/zinc/67/53/18/562675318.db2.gz ZUXFIRWLAQBCCS-UHFFFAOYSA-N 0 3 558.683 5.814 1 0 KKAFHN CN(C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(NCc4c(Cl)cccc4Cl)cc3)c(C(N)=O)c1N2 ZINC000049757450 562676042 /nfs/dbraw/zinc/67/60/42/562676042.db2.gz CQUYYMCZSYDWSJ-UHFFFAOYSA-N 0 3 565.505 5.808 1 0 KKAFHN COc1cccc2c1OC[C@H](Cc1ccc(OCCN3CCCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049761761 562676118 /nfs/dbraw/zinc/67/61/18/562676118.db2.gz KNJRTTIXAZSVBZ-MHZLTWQESA-N 0 3 550.721 5.063 1 0 KKAFHN O=C(NCCN(CCNc1ccnc2cc(Cl)ccc21)CCNc1ccnc2cc(Cl)ccc21)C1CCC1 ZINC000049766471 562677028 /nfs/dbraw/zinc/67/70/28/562677028.db2.gz ZNDHWGFQNMCXNB-UHFFFAOYSA-N 0 3 551.522 5.832 1 0 KKAFHN Cc1cc2nc(N3CCC[C@H]3CN3CCCC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049767016 562677311 /nfs/dbraw/zinc/67/73/11/562677311.db2.gz DOJSOAHHEAYUAM-VWLOTQADSA-N 0 3 544.784 6.901 1 0 KKAFHN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000049776373 562679434 /nfs/dbraw/zinc/67/94/34/562679434.db2.gz PSOLLAWKFQBNIY-SHXLRKJTSA-N 0 3 655.909 5.707 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000049777796 562680523 /nfs/dbraw/zinc/68/05/23/562680523.db2.gz BMGSGSGMLBHZCA-FAKWYAOSSA-N 0 3 556.531 5.123 1 0 KKAFHN COCCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781266 562682861 /nfs/dbraw/zinc/68/28/61/562682861.db2.gz YYIOQINMOGBBMF-HHHXNRCGSA-N 0 3 632.072 7.854 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4cc(Br)cc5cccnc54)CC3)CC2)c1 ZINC000049781467 562683084 /nfs/dbraw/zinc/68/30/84/562683084.db2.gz POCSVEHDZIFYRI-UHFFFAOYSA-N 0 3 532.486 5.345 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4ccc(F)c5ccc(C(F)(F)F)nc54)CC3)CC2)c1 ZINC000049793366 562684756 /nfs/dbraw/zinc/68/47/56/562684756.db2.gz NTADQIOJOYLPAR-UHFFFAOYSA-N 0 3 539.577 5.741 1 0 KKAFHN CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000049793671 562685057 /nfs/dbraw/zinc/68/50/57/562685057.db2.gz WIPOZGZUHPTZTR-ACHIHNKUSA-N 0 3 581.717 5.174 1 0 KKAFHN O=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)CCN3)cc1)N1CCC[C@H]1CN1CCCC1 ZINC000049803779 562686257 /nfs/dbraw/zinc/68/62/57/562686257.db2.gz UBZXFTVYCQWOSJ-DEOSSOPVSA-N 0 3 550.534 6.188 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCCCCC1 ZINC000049878529 562690687 /nfs/dbraw/zinc/69/06/87/562690687.db2.gz CFNBMDAXVAJPSE-NOZRDPDXSA-N 0 3 540.717 6.402 1 0 KKAFHN COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)N(C)CC5)cc1)N(C)CC2 ZINC000049881872 562691202 /nfs/dbraw/zinc/69/12/02/562691202.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 0 3 696.841 7.063 1 0 KKAFHN COc1ccc(N(C)C(=O)CN2c3ccccc3[C@H](c3ccccc3)C(=O)C(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)C2=O)cc1 ZINC000049899397 562693064 /nfs/dbraw/zinc/69/30/64/562693064.db2.gz FIEMOWACEZRNBQ-ZPGRZCPFSA-N 0 3 666.734 5.827 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049908044 562693407 /nfs/dbraw/zinc/69/34/07/562693407.db2.gz JCRLFDOWHYRBLY-JHOUSYSJSA-N 0 3 702.840 5.389 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917561 562693564 /nfs/dbraw/zinc/69/35/64/562693564.db2.gz DPBDEJSHFAVZAV-NHCUHLMSSA-N 0 3 603.488 6.781 1 0 KKAFHN O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917591 562693632 /nfs/dbraw/zinc/69/36/32/562693632.db2.gz GGIHBVOKRSMNKK-ISJGIBHGSA-N 0 3 543.539 5.768 1 0 KKAFHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917613 562693652 /nfs/dbraw/zinc/69/36/52/562693652.db2.gz HOZWLRIMHVJKNF-ZCNNSNEGSA-N 0 3 605.916 6.952 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccc(F)c(F)c1F ZINC000049917702 562693814 /nfs/dbraw/zinc/69/38/14/562693814.db2.gz RDGCTCOYYKQDAL-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN O=C(Cc1ccccc1)N[C@@H](CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049917805 562693971 /nfs/dbraw/zinc/69/39/71/562693971.db2.gz HFCMAYCVLYRNFC-SANMLTNESA-N 0 3 565.463 6.786 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917855 562694004 /nfs/dbraw/zinc/69/40/04/562694004.db2.gz DJGWKTWKRTXWLC-SFTDATJTSA-N 0 3 619.943 7.295 1 0 KKAFHN O=c1cc(NCC[C@@H](CNCc2ccc(Br)o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917932 562694157 /nfs/dbraw/zinc/69/41/57/562694157.db2.gz MOWMGWIMHWQDLU-IBGZPJMESA-N 0 3 653.213 6.159 1 0 KKAFHN CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OCCCN3CCCCC3)cc21 ZINC000049917956 562694184 /nfs/dbraw/zinc/69/41/84/562694184.db2.gz ATHLXGZTKCSLTK-UHFFFAOYSA-N 0 3 731.806 8.664 1 0 KKAFHN CC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CCCC2)cc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000049917992 562694238 /nfs/dbraw/zinc/69/42/38/562694238.db2.gz VMKDPVRWRVFXTR-XFCANUNOSA-N 0 3 588.192 6.567 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c3ccccc23)ccc1I ZINC000049918088 562694445 /nfs/dbraw/zinc/69/44/45/562694445.db2.gz AIZBTHFRVJECOK-UHFFFAOYSA-N 0 3 552.416 6.091 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCCNc4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000049938271 562695155 /nfs/dbraw/zinc/69/51/55/562695155.db2.gz SEGBMNCYQYJQGE-UHFFFAOYSA-N 0 3 657.624 5.388 1 0 KKAFHN COc1cc(Cn2cncc2CCN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000052957133 562695988 /nfs/dbraw/zinc/69/59/88/562695988.db2.gz CPUPJBLXXHGNPV-UHFFFAOYSA-N 0 3 569.027 6.171 1 0 KKAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc3ncccc3c2)n1 ZINC000053276046 562696993 /nfs/dbraw/zinc/69/69/93/562696993.db2.gz CKDMLWHRLPFYKK-UHFFFAOYSA-N 0 3 508.630 5.532 1 0 KKAFHN CCN1CCC[C@H]1CNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297061 562697444 /nfs/dbraw/zinc/69/74/44/562697444.db2.gz FAIUHYZCSXCGFU-QHCPKHFHSA-N 0 3 580.615 5.571 1 0 KKAFHN COc1ccc(C(=O)NC2(C)CCN(CC[C@H](NC(=O)C3CCCCC3)c3cccc(F)c3)CC2)cc1 ZINC000053314018 562697637 /nfs/dbraw/zinc/69/76/37/562697637.db2.gz RGUZVNRWOCTJID-MHZLTWQESA-N 0 3 509.666 5.247 1 0 KKAFHN Cc1ccc(N(c2ccccc2)S(C)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1 ZINC000058468485 562697917 /nfs/dbraw/zinc/69/79/17/562697917.db2.gz OWKVOSMRWHCUBA-IOWSJCHKSA-N 0 3 625.713 5.603 1 0 KKAFHN CCOc1cc(CN2CCC[C@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058487664 562698211 /nfs/dbraw/zinc/69/82/11/562698211.db2.gz XOKQXPCDCRWFMF-SANMLTNESA-N 0 3 505.634 5.778 1 0 KKAFHN C[C@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000058538653 562698871 /nfs/dbraw/zinc/69/88/71/562698871.db2.gz RCIMAYJLHGXJSS-RXPSNABZSA-N 0 3 509.137 5.127 1 0 KKAFHN C[C@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000058538653 562698872 /nfs/dbraw/zinc/69/88/72/562698872.db2.gz RCIMAYJLHGXJSS-RXPSNABZSA-N 0 3 509.137 5.127 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCC1 ZINC000058547191 562699050 /nfs/dbraw/zinc/69/90/50/562699050.db2.gz HMYAEJVTRKONJY-GGAORHGYSA-N 0 3 512.663 5.622 1 0 KKAFHN CCOC(=O)S/C(CCOC)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCC ZINC000058547669 562699067 /nfs/dbraw/zinc/69/90/67/562699067.db2.gz ZGBHCZRGLJCYLZ-ZUELCTOOSA-N 0 3 660.940 8.120 1 0 KKAFHN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(-c4ccc(Cl)c(CNC(=O)c5ccccc5)c4)ccc3=O)CC2)c1=O ZINC000058547796 562699074 /nfs/dbraw/zinc/69/90/74/562699074.db2.gz ZJXORVFCSQEKCZ-UHFFFAOYSA-N 0 3 645.591 5.528 1 0 in-vitro KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CCNCC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058555025 562699256 /nfs/dbraw/zinc/69/92/56/562699256.db2.gz VVYUVUVFTYVYIG-GOSISDBHSA-N 0 3 559.095 5.451 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CCC2)c1 ZINC000058591478 562700473 /nfs/dbraw/zinc/70/04/73/562700473.db2.gz LTNAISJBIJICDN-RUZDIDTESA-N 0 3 634.044 7.301 1 0 KKAFHN O=C(Nc1cccc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058593565 562700687 /nfs/dbraw/zinc/70/06/87/562700687.db2.gz UMVQRVFLSLPAEH-FKBYEOEOSA-N 0 3 521.464 5.419 1 0 KKAFHN Cn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058655527 562701373 /nfs/dbraw/zinc/70/13/73/562701373.db2.gz XHDDICMHLMFWSS-UHFFFAOYSA-N 0 3 573.952 6.265 1 0 KKAFHN CC(C)CCc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)C(CC(C)C)CC(C)C)cc1 ZINC000059033360 562701623 /nfs/dbraw/zinc/70/16/23/562701623.db2.gz XQIOWANYOMVWLQ-UHFFFAOYSA-N 0 3 591.837 7.764 1 0 KKAFHN CC(C)CCc1ccc(CN(C(=Nc2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)C(CC(C)C)CC(C)C)cc1 ZINC000059033360 562701624 /nfs/dbraw/zinc/70/16/24/562701624.db2.gz XQIOWANYOMVWLQ-UHFFFAOYSA-N 0 3 591.837 7.764 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 ZINC000059353609 562701985 /nfs/dbraw/zinc/70/19/85/562701985.db2.gz BWBKZHLNVLQLSF-OAQYLSRUSA-N 0 3 561.192 5.232 1 0 KKAFHN O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895954 562702933 /nfs/dbraw/zinc/70/29/33/562702933.db2.gz VTZGCABMMZRTAE-LJAQVGFWSA-N 0 3 513.041 6.040 3 0 KKAFHN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923947 562703526 /nfs/dbraw/zinc/70/35/26/562703526.db2.gz OLUKHOPUUWMDEI-ZONZVBGPSA-N 0 3 509.050 5.218 3 0 KKAFHN CC(C)CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447951 562705460 /nfs/dbraw/zinc/70/54/60/562705460.db2.gz KXODPPGRRVGQDI-GOTSBHOMSA-N 0 3 576.655 6.199 1 0 KKAFHN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c2ccccc21 ZINC000064448105 562705463 /nfs/dbraw/zinc/70/54/63/562705463.db2.gz FFURISGHTWLMMF-GOTSBHOMSA-N 0 3 548.654 6.048 1 0 KKAFHN CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3[C@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559933 562708455 /nfs/dbraw/zinc/70/84/55/562708455.db2.gz KGQQZJWWWKYPSC-SSEXGKCCSA-N 0 3 519.657 6.002 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(OC4CCN(C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000064744235 562709106 /nfs/dbraw/zinc/70/91/06/562709106.db2.gz FASALJZFFLCNKM-GOSISDBHSA-N 0 3 538.570 5.756 1 0 in-vitro KKAFHN CC1(N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066066087 562709238 /nfs/dbraw/zinc/70/92/38/562709238.db2.gz QXHNFTXJKOORIT-UHFFFAOYSA-N 0 3 621.440 6.802 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073969 562709627 /nfs/dbraw/zinc/70/96/27/562709627.db2.gz RXIFDJMCJKEING-MGBGTMOVSA-N 0 3 606.815 5.653 1 0 KKAFHN Cc1ccc(N2CCN(CCCCOc3ccc4c(=O)cc(-c5ccc(Cl)cc5)oc4c3)CC2)cc1 ZINC000066074273 562709744 /nfs/dbraw/zinc/70/97/44/562709744.db2.gz ANLABOQKKPMUKX-UHFFFAOYSA-N 0 3 503.042 6.403 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066074295 562709757 /nfs/dbraw/zinc/70/97/57/562709757.db2.gz OJCDGMHBQVTOKH-QFIPXVFZSA-N 0 3 540.455 5.248 1 0 KKAFHN C[C@H]1CN(C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074276 562709771 /nfs/dbraw/zinc/70/97/71/562709771.db2.gz NLIKRVUFEZIMOB-NRFANRHFSA-N 0 3 554.085 5.118 1 0 KKAFHN CS(=O)(=O)c1ccc(-c2noc(C3CCN(CCC(=O)N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)CC3)n2)cc1 ZINC000066077850 562710346 /nfs/dbraw/zinc/71/03/46/562710346.db2.gz PJTVIZQSPCSLHW-DEOSSOPVSA-N 0 3 617.559 5.256 1 0 KKAFHN Cn1nc(Cc2ccccc2)cc1C1CCN(CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066079486 562710636 /nfs/dbraw/zinc/71/06/36/562710636.db2.gz LJTVHAQRPVLLMC-GDLZYMKVSA-N 0 3 542.749 5.343 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066112395 562712019 /nfs/dbraw/zinc/71/20/19/562712019.db2.gz LKMTURFCSVFFPV-PGUFJCEWSA-N 0 3 634.869 6.433 1 0 KKAFHN NCc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066112761 562712108 /nfs/dbraw/zinc/71/21/08/562712108.db2.gz USXXPFFCBBHACO-LJQANCHMSA-N 0 3 524.543 5.444 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066128536 562712765 /nfs/dbraw/zinc/71/27/65/562712765.db2.gz ACSVFUACEODJDN-BRUQSJHLSA-N 0 3 594.712 5.478 3 0 KKAFHN Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C(\F)C(=O)NCCN1CCCC1 ZINC000066138437 562713280 /nfs/dbraw/zinc/71/32/80/562713280.db2.gz YJEHFTZFENYBBO-IWIPYMOSSA-N 0 3 528.003 5.423 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000066165988 562714024 /nfs/dbraw/zinc/71/40/24/562714024.db2.gz NXXFVICVKMKDAU-VIPXIGFPSA-N 0 3 636.749 6.078 3 0 KKAFHN CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@H]1CCCN(C)C1 ZINC000066259001 562715166 /nfs/dbraw/zinc/71/51/66/562715166.db2.gz GBYAZONQWPEDEC-FQEVSTJZSA-N 0 3 579.593 5.788 1 0 KKAFHN CC(C)CN1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260049 562715412 /nfs/dbraw/zinc/71/54/12/562715412.db2.gz IBGHJRNYLZKHRY-UHFFFAOYSA-N 0 3 593.620 6.036 1 0 KKAFHN COc1ccc([C@H]2CN(CCCN(C)S(=O)(=O)c3ccccc3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296450 562717534 /nfs/dbraw/zinc/71/75/34/562717534.db2.gz TWNPKIQHYYMCGF-NEKDWFFYSA-N 0 3 556.128 5.104 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 ZINC000071317348 562718223 /nfs/dbraw/zinc/71/82/23/562718223.db2.gz VXCFNXWSONWJOA-SFHVURJKSA-N 0 3 594.461 6.952 1 0 KKAFHN CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](CC)N1 ZINC000071317753 562718286 /nfs/dbraw/zinc/71/82/86/562718286.db2.gz ZQDYFCAQLYEQJM-SSBOKUKZSA-N 0 3 599.836 5.013 1 0 KKAFHN CC(C)NC(=O)Cn1c(=O)c2cc(-c3cccc(CN4CCC4)c3)ccc2nc1-c1cccc(Cl)c1 ZINC000071333903 562719476 /nfs/dbraw/zinc/71/94/76/562719476.db2.gz XDZXOKQGNOTMCB-UHFFFAOYSA-N 0 3 501.030 5.114 1 0 KKAFHN C[C@@H]1CN(Cc2ccccc2C(F)(F)F)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112252 562722046 /nfs/dbraw/zinc/72/20/46/562722046.db2.gz FBOIRBIXZYHAQS-BLYXRRLCSA-N 0 3 574.772 6.943 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6ccc(C(F)(F)F)cc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112378 562722079 /nfs/dbraw/zinc/72/20/79/562722079.db2.gz MHJARVITZIZBSY-FGPHBKPNSA-N 0 3 614.715 7.185 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6ccccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112909 562722182 /nfs/dbraw/zinc/72/21/82/562722182.db2.gz LKTXRKXRVVTKKV-YISDRRAZSA-N 0 3 546.718 6.166 1 0 KKAFHN CCN(CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072112934 562722192 /nfs/dbraw/zinc/72/21/92/562722192.db2.gz YKLLFVQSYPMPIH-XZWHSSHBSA-N 0 3 568.545 7.202 1 0 KKAFHN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)OCCN(C)C)c(OC(C)C)c1 ZINC000072114293 562722676 /nfs/dbraw/zinc/72/26/76/562722676.db2.gz UNDGFWXBHFJPGJ-NSOVKSMOSA-N 0 3 570.517 7.032 1 0 KKAFHN FC(F)(F)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1 ZINC000072118827 562723636 /nfs/dbraw/zinc/72/36/36/562723636.db2.gz MFMWLMNETVQKDA-UHFFFAOYSA-N 0 3 516.489 6.654 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072121491 562724290 /nfs/dbraw/zinc/72/42/90/562724290.db2.gz LRORJSKSVZGRTN-LGVUCKNBSA-N 0 3 573.553 5.017 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123705 562724886 /nfs/dbraw/zinc/72/48/86/562724886.db2.gz NFGNNHZUGBVANR-ZQWQDMLBSA-N 0 3 720.021 6.031 3 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127031 562725595 /nfs/dbraw/zinc/72/55/95/562725595.db2.gz RYDIFBSRXOKUDD-ZYADHFCISA-N 0 3 730.057 6.233 3 0 KKAFHN O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1 ZINC000073159868 562734013 /nfs/dbraw/zinc/73/40/13/562734013.db2.gz PRVWMJVSFWNIFV-JPYJTQIMSA-N 0 3 500.895 5.163 1 0 KKAFHN CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)Cc6cccc(C(F)(F)F)c6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072128780 562726364 /nfs/dbraw/zinc/72/63/64/562726364.db2.gz WOMHDKBUDDJYHQ-NGZBDLKASA-N 0 3 644.888 8.265 1 0 KKAFHN CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129933 562726602 /nfs/dbraw/zinc/72/66/02/562726602.db2.gz JEZIOZMCMPTLRQ-RKYOAFJVSA-N 0 3 659.937 6.342 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134196 562727267 /nfs/dbraw/zinc/72/72/67/562727267.db2.gz UHQCOWSGJCJWSA-HQPLKVBUSA-N 0 3 712.042 6.369 3 0 KKAFHN COc1ccc([C@H](C)CN(C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172131 562730646 /nfs/dbraw/zinc/73/06/46/562730646.db2.gz WCJGGTAAPIAIJS-BBFPSNOWSA-N 0 3 737.894 6.367 1 0 KKAFHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181477 562732775 /nfs/dbraw/zinc/73/27/75/562732775.db2.gz AWUSEWFIOJHHGJ-MHZLTWQESA-N 0 3 510.642 5.401 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4ccccc4c3=O)CC2)c1 ZINC000073220144 562736189 /nfs/dbraw/zinc/73/61/89/562736189.db2.gz LWZOLPCYBYTCPD-UHFFFAOYSA-N 0 3 548.609 6.310 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073224340 562736640 /nfs/dbraw/zinc/73/66/40/562736640.db2.gz JZLGUOKBQBXEDW-DPSWKAHMSA-N 0 3 532.006 5.752 1 0 KKAFHN C[NH+](C)CCCc1ccc(OC(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2[N-]C(=S)C3)c1 ZINC000082155825 562740593 /nfs/dbraw/zinc/74/05/93/562740593.db2.gz INCAIRNHZBEWOA-UHFFFAOYSA-N 0 3 521.996 6.229 1 0 KKAFHN CC(C)(C)OC(=O)C1C(=O)NC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000082195638 562742770 /nfs/dbraw/zinc/74/27/70/562742770.db2.gz ATIZHXQUOYPBJB-AIDNINJQSA-N 0 3 693.837 6.580 1 0 KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(Oc3ccccc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596038 562743631 /nfs/dbraw/zinc/74/36/31/562743631.db2.gz QEBJERYIRRSQEO-UHFFFAOYSA-N 0 3 512.094 5.173 1 0 KKAFHN Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCCC3)[nH]nc21 ZINC000084596859 562743863 /nfs/dbraw/zinc/74/38/63/562743863.db2.gz QHKIPJGWHPLRLD-HKBQPEDESA-N 0 3 593.732 5.795 1 0 KKAFHN Cc1cc(C[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(CN3CCCCC3)cn2)cc2c[nH]nc21 ZINC000084614780 562744409 /nfs/dbraw/zinc/74/44/09/562744409.db2.gz VCAWQPVISZKOIS-GDLZYMKVSA-N 0 3 605.787 6.007 1 0 KKAFHN CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2C1=O ZINC000084617418 562744878 /nfs/dbraw/zinc/74/48/78/562744878.db2.gz FOKFZUQDVUMTPR-SSEXGKCCSA-N 0 3 575.109 5.332 1 0 KKAFHN C[C@@H](Oc1cc(-c2cc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654622 562747303 /nfs/dbraw/zinc/74/73/03/562747303.db2.gz KPYFHKXGOZSVEX-GOSISDBHSA-N 0 3 534.582 6.317 1 0 KKAFHN C[C@@H](Oc1cc(-c2nc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712425 562750779 /nfs/dbraw/zinc/75/07/79/562750779.db2.gz GWVVKACJTNKJAO-QGZVFWFLSA-N 0 3 535.570 5.712 1 0 KKAFHN O=C(Nc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)n[nH]2)cc1)Oc1ccccc1 ZINC000084729313 562751475 /nfs/dbraw/zinc/75/14/75/562751475.db2.gz COAWOLGBXJWLNS-UHFFFAOYSA-N 0 3 511.582 5.415 1 0 KKAFHN CN1CCN(CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000084757732 562752482 /nfs/dbraw/zinc/75/24/82/562752482.db2.gz FYUZCRBDIVYHQW-UHFFFAOYSA-N 0 3 670.078 7.325 1 0 KKAFHN COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C ZINC000084858031 562753072 /nfs/dbraw/zinc/75/30/72/562753072.db2.gz HSVFYEXGVUYSRN-WDYNHAJCSA-N 0 3 606.719 6.874 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1ccc(F)c(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000095540427 562755728 /nfs/dbraw/zinc/75/57/28/562755728.db2.gz JTCVUEJAKWHYTK-IOLWAGDESA-N 0 3 789.871 6.573 1 0 KKAFHN Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)[C@H](CCCC[NH+](C)C)N(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095540436 562755740 /nfs/dbraw/zinc/75/57/40/562755740.db2.gz SYZOYEODDGOCTH-HKBQPEDESA-N 0 3 775.844 5.661 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3cccc(C(F)(F)F)c3)C(=O)O[C@@]21C ZINC000095540748 562755943 /nfs/dbraw/zinc/75/59/43/562755943.db2.gz BNLDSHRCFJNLQS-ZGMODJPSSA-N 0 3 768.911 6.193 1 0 KKAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3CC(F)(F)C[C@H]3C=N4)CC1)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000095543164 562757110 /nfs/dbraw/zinc/75/71/10/562757110.db2.gz HXQQUFCRRHDDBX-UIOOFZCWSA-N 0 3 758.814 5.471 1 0 KKAFHN COc1ccc(N(CCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 ZINC000095544846 562757951 /nfs/dbraw/zinc/75/79/51/562757951.db2.gz YHQCPXJAOFTJEJ-UHFFFAOYSA-N 0 3 756.416 6.455 1 0 KKAFHN CCCCCC(=O)N1CCN([C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)c2ccc(OC)c(OC)c2)CC1 ZINC000095547822 562758896 /nfs/dbraw/zinc/75/88/96/562758896.db2.gz JJFDSXVWEFHQFX-BAEGBANDSA-N 0 3 757.956 8.363 1 0 KKAFHN O=C(N[C@@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550057 562759919 /nfs/dbraw/zinc/75/99/19/562759919.db2.gz RFKDBORJIKLFCM-UYVQAEDUSA-N 0 3 767.030 9.005 1 0 KKAFHN CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)nc(NCC3CCOCC3)n2)cc1 ZINC000095552099 562760577 /nfs/dbraw/zinc/76/05/77/562760577.db2.gz FGSTZZQAEPJJMJ-MUUNZHRXSA-N 0 3 662.886 5.346 1 0 KKAFHN Cc1ccc(S(=O)(=O)N(C)C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000095555651 562761632 /nfs/dbraw/zinc/76/16/32/562761632.db2.gz LPHIWCBAJGQIIF-UHFFFAOYSA-N 0 3 540.513 5.050 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc([N-]S(=O)(=O)c5cccc(F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095556875 562761972 /nfs/dbraw/zinc/76/19/72/562761972.db2.gz RLJYSFMWNSHSPL-UHFFFAOYSA-N 0 3 798.429 6.955 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095556875 562761973 /nfs/dbraw/zinc/76/19/73/562761973.db2.gz RLJYSFMWNSHSPL-UHFFFAOYSA-N 0 3 798.429 6.955 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccccc1 ZINC000095557726 562762211 /nfs/dbraw/zinc/76/22/11/562762211.db2.gz MZWIKZYUQSQKFN-HLEXSIARSA-N 0 3 620.812 6.045 1 0 KKAFHN CCN1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1 ZINC000095558214 562762393 /nfs/dbraw/zinc/76/23/93/562762393.db2.gz GVFQHBBRWBJGNU-UHFFFAOYSA-N 0 3 506.607 5.127 1 0 KKAFHN CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21)S(C)(=O)=O ZINC000095560011 562762933 /nfs/dbraw/zinc/76/29/33/562762933.db2.gz XJMBQSMRJLKLBY-HNNXBMFYSA-N 0 3 582.004 5.189 1 0 KKAFHN Cc1nc(Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)cc(N2CCNCC2)n1 ZINC000095561117 562763275 /nfs/dbraw/zinc/76/32/75/562763275.db2.gz LQPZDDNAQNTKSD-UHFFFAOYSA-N 0 3 590.635 5.881 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095564709 562764425 /nfs/dbraw/zinc/76/44/25/562764425.db2.gz HOPYMWLRLXEYET-CDHXPAGGSA-N 0 3 708.816 5.175 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095564821 562764478 /nfs/dbraw/zinc/76/44/78/562764478.db2.gz STCNQGKHPZHYJD-KTYLLXISSA-N 0 3 711.826 6.096 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567070 562765462 /nfs/dbraw/zinc/76/54/62/562765462.db2.gz QMWRRMYICQUONI-PDTNBVABSA-N 0 3 627.807 5.435 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567070 562765463 /nfs/dbraw/zinc/76/54/63/562765463.db2.gz QMWRRMYICQUONI-PDTNBVABSA-N 0 3 627.807 5.435 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567298 562765674 /nfs/dbraw/zinc/76/56/74/562765674.db2.gz AXAKNSSSVDKLRR-RROHFTNDSA-N 0 3 599.772 6.350 1 0 KKAFHN CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095568370 562766592 /nfs/dbraw/zinc/76/65/92/562766592.db2.gz WFUNTFJZTRFJFT-BBACVFHCSA-N 0 3 662.026 6.467 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095568534 562766758 /nfs/dbraw/zinc/76/67/58/562766758.db2.gz CDSRJXSQDFLFIY-GJCZEXATSA-N 0 3 583.773 6.225 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568844 562766923 /nfs/dbraw/zinc/76/69/23/562766923.db2.gz JQXCVRFSCSGTFT-MWXNICTNSA-N 0 3 634.626 5.384 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569000 562767077 /nfs/dbraw/zinc/76/70/77/562767077.db2.gz AYTPHXXENYRUGZ-ZYADHFCISA-N 0 3 646.027 6.761 3 0 KKAFHN FC(F)(F)c1cccc(C[C@H]2CN(Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569032 562767118 /nfs/dbraw/zinc/76/71/18/562767118.db2.gz OFGKYXXVDCFLBX-NDEPHWFRSA-N 0 3 541.444 8.777 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095569600 562767526 /nfs/dbraw/zinc/76/75/26/562767526.db2.gz VEYXNSARLJIJRR-GLBCCIBASA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569914 562767771 /nfs/dbraw/zinc/76/77/71/562767771.db2.gz HMCLAGFKTYIJCB-PYAKLNENSA-N 0 3 648.726 6.784 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095570623 562768337 /nfs/dbraw/zinc/76/83/37/562768337.db2.gz XOJDVVMUWTXSDO-UXVOWUFOSA-N 0 3 670.855 5.256 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570783 562768492 /nfs/dbraw/zinc/76/84/92/562768492.db2.gz UEDLRIRBQUSIHX-LPBFERMMSA-N 0 3 642.675 5.359 1 0 KKAFHN COCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572682 562769460 /nfs/dbraw/zinc/76/94/60/562769460.db2.gz IVHJMOJHRRFXHT-KKUQBAQOSA-N 0 3 596.769 5.004 1 0 KKAFHN CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095573999 562769846 /nfs/dbraw/zinc/76/98/46/562769846.db2.gz BTSCNDCMLRNJTB-KZNIJNHCSA-N 0 3 606.833 5.643 1 0 KKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095575139 562770209 /nfs/dbraw/zinc/77/02/09/562770209.db2.gz YYSCTYIWGJPHIQ-OUDZLNJNSA-N 0 3 537.059 6.251 1 0 KKAFHN COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577954 562771116 /nfs/dbraw/zinc/77/11/16/562771116.db2.gz JQVPXABUZCLODH-DBIYYAQASA-N 0 3 534.741 5.256 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC(C)=O)c1 ZINC000095584230 562773222 /nfs/dbraw/zinc/77/32/22/562773222.db2.gz LAEBNTZDROUIGG-UHFFFAOYSA-N 0 3 556.615 5.428 1 0 KKAFHN CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCC4)c(N)n3)nn2)cc1 ZINC000095589049 562774825 /nfs/dbraw/zinc/77/48/25/562774825.db2.gz XOZVNTZRTSLDDF-UHFFFAOYSA-N 0 3 505.711 5.290 1 0 KKAFHN c1ccc(-c2nc(-c3ccccc3)n(CCCCCCNc3c4ccccc4nc4c3CCCC4)c2-c2ccccc2)cc1 ZINC000095587746 562774401 /nfs/dbraw/zinc/77/44/01/562774401.db2.gz AUYOBRGGEYPRJO-UHFFFAOYSA-N 0 3 576.788 9.984 1 0 KKAFHN COc1cc(N2Cc3ccc(Sc4ccc(F)c(Cl)c4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095591141 562775490 /nfs/dbraw/zinc/77/54/90/562775490.db2.gz GERNDJBNTABEKN-UHFFFAOYSA-N 0 3 514.022 5.669 1 0 KKAFHN O=C(N[C@@H](C(=O)Nc1cc([C@@H](O)CNCc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095593400 562776232 /nfs/dbraw/zinc/77/62/32/562776232.db2.gz DZUXVCBPFLNAAX-OIDHKYIRSA-N 0 3 613.714 6.347 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]C4CCCCC4)c(C)c3oc2=O)ccc1[O-] ZINC000095596980 562777104 /nfs/dbraw/zinc/77/71/04/562777104.db2.gz MZUZTVIYYMGLNB-UHFFFAOYSA-N 0 3 518.654 6.259 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095599392 562778063 /nfs/dbraw/zinc/77/80/63/562778063.db2.gz ZGZURALGAMDSDO-FBTROWELSA-N 0 3 690.848 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095600613 562779029 /nfs/dbraw/zinc/77/90/29/562779029.db2.gz HBVPERRGRWZCML-MTCUJEMASA-N 0 3 590.765 5.841 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600634 562779071 /nfs/dbraw/zinc/77/90/71/562779071.db2.gz ZBBNPLMVFVREHD-FCSDHKMCSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600634 562779072 /nfs/dbraw/zinc/77/90/72/562779072.db2.gz ZBBNPLMVFVREHD-FCSDHKMCSA-N 0 3 719.867 6.742 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600726 562779174 /nfs/dbraw/zinc/77/91/74/562779174.db2.gz VXNFDAPCMDSUMH-GTKRZRNESA-N 0 3 710.070 7.053 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600954 562779370 /nfs/dbraw/zinc/77/93/70/562779370.db2.gz UQRVVYXDOOLUAO-QZCKSCMDSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600954 562779371 /nfs/dbraw/zinc/77/93/71/562779371.db2.gz UQRVVYXDOOLUAO-QZCKSCMDSA-N 0 3 723.830 6.573 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095601248 562779480 /nfs/dbraw/zinc/77/94/80/562779480.db2.gz DICSNASCOVLQDJ-JALBGMRZSA-N 0 3 664.819 6.406 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095602748 562780171 /nfs/dbraw/zinc/78/01/71/562780171.db2.gz KTOLAWMRFLMANX-FCSDHKMCSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095603115 562780354 /nfs/dbraw/zinc/78/03/54/562780354.db2.gz MKMSHMRQNRVEBK-BUEREQSYSA-N 0 3 584.639 5.702 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095604573 562781114 /nfs/dbraw/zinc/78/11/14/562781114.db2.gz ZBBNPLMVFVREHD-JCLAXVLHSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095604573 562781115 /nfs/dbraw/zinc/78/11/15/562781115.db2.gz ZBBNPLMVFVREHD-JCLAXVLHSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095604642 562781138 /nfs/dbraw/zinc/78/11/38/562781138.db2.gz TWIGAEAIANFZGS-JVAFGIKQSA-N 0 3 602.629 5.841 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCCc3ccccc3[C@H]2N)CC1 ZINC000095607677 562782997 /nfs/dbraw/zinc/78/29/97/562782997.db2.gz ORPYCWJPNJKZIA-DCMFLLSESA-N 0 3 635.293 6.124 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)cc3)C(=O)O[C@@]21C ZINC000095607840 562783181 /nfs/dbraw/zinc/78/31/81/562783181.db2.gz VGNZBBDFUAPGMA-RFAGPKTGSA-N 0 3 718.904 5.313 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095608460 562783563 /nfs/dbraw/zinc/78/35/63/562783563.db2.gz HTOJUIVQXWRKOG-WBCKFURZSA-N 0 3 773.935 5.413 1 0 KKAFHN CCOC(=O)CCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095610487 562784438 /nfs/dbraw/zinc/78/44/38/562784438.db2.gz CUKBOHPSSFJJFQ-VQJSHJPSSA-N 0 3 779.762 7.481 1 0 KKAFHN COc1cc2c(cc1OCCCCCN1CCN(CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000095615984 562787711 /nfs/dbraw/zinc/78/77/11/562787711.db2.gz KMALZPASESRBSO-KRCBVYEFSA-N 0 3 750.888 5.657 1 0 KKAFHN COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)c(=O)oc21 ZINC000095617279 562787950 /nfs/dbraw/zinc/78/79/50/562787950.db2.gz IPCHCZZQQMESAN-AATRIKPKSA-N 0 3 772.896 6.337 1 0 KKAFHN CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095661087 562788082 /nfs/dbraw/zinc/78/80/82/562788082.db2.gz XKRZACQUEFCCIM-DQCZWYHMSA-N 0 3 572.731 5.555 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095773325 562789040 /nfs/dbraw/zinc/78/90/40/562789040.db2.gz XGMQKVJTWVADHD-NUNJUMJCSA-N 0 3 714.826 7.286 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095834396 562789404 /nfs/dbraw/zinc/78/94/04/562789404.db2.gz GQPLODGYDYCVNT-FNFPNEPISA-N 0 3 650.625 5.084 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095850749 562789569 /nfs/dbraw/zinc/78/95/69/562789569.db2.gz ZBSMIXMEGWTGMY-XIWHWFKQSA-N 0 3 583.773 6.225 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869149 562789965 /nfs/dbraw/zinc/78/99/65/562789965.db2.gz RZBAHHBRQVWZMS-KXLVQTRWSA-N 0 3 617.790 7.128 1 0 KKAFHN CC(C)N1C[C@H](CNCc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872385 562790125 /nfs/dbraw/zinc/79/01/25/562790125.db2.gz QPFCFMVMWJRMPG-MHZLTWQESA-N 0 3 536.632 5.528 1 0 KKAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccnc23)c1Cl ZINC000096173390 562791410 /nfs/dbraw/zinc/79/14/10/562791410.db2.gz UKZCUKKNLORBKQ-UHFFFAOYSA-N 0 3 580.516 6.404 1 0 KKAFHN CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@H]3CCCN3C)CC1)C2 ZINC000096177896 562792454 /nfs/dbraw/zinc/79/24/54/562792454.db2.gz OXHQSLVSULVZQB-GDLZYMKVSA-N 0 3 710.301 5.628 1 0 KKAFHN Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177913 562792463 /nfs/dbraw/zinc/79/24/63/562792463.db2.gz AFTBNZZMNUUEFO-UHFFFAOYSA-N 0 3 591.782 6.235 1 0 KKAFHN Cc1c[nH]c2nc(Nc3cc(C)c(C4CCN(CCO)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177942 562792508 /nfs/dbraw/zinc/79/25/08/562792508.db2.gz WVFWRJRAJIAJMJ-UHFFFAOYSA-N 0 3 620.820 6.203 1 0 KKAFHN CN(C)CCN(C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269798 562793053 /nfs/dbraw/zinc/79/30/53/562793053.db2.gz RNJYCRPQQBPATH-UHFFFAOYSA-N 0 3 705.826 6.531 1 0 KKAFHN C[C@@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270065 562793122 /nfs/dbraw/zinc/79/31/22/562793122.db2.gz RKVRONUETMYAFM-HSZRJFAPSA-N 0 3 600.691 6.619 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271288 562793754 /nfs/dbraw/zinc/79/37/54/562793754.db2.gz DQMOTIONARYROG-UHFFFAOYSA-N 0 3 654.299 8.816 1 0 KKAFHN O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCCC5)cc4)cc32)cc1 ZINC000096272622 562794139 /nfs/dbraw/zinc/79/41/39/562794139.db2.gz IVIDJNDYMLDNQO-UHFFFAOYSA-N 0 3 576.701 7.053 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285335 562795489 /nfs/dbraw/zinc/79/54/89/562795489.db2.gz LTECMHSUEOHWDT-BWKNWUBXSA-N 0 3 526.125 5.212 1 0 KKAFHN Cc1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285364 562795502 /nfs/dbraw/zinc/79/55/02/562795502.db2.gz WZRAMHXCXACTHM-BTYSJIOQSA-N 0 3 546.760 5.186 1 0 KKAFHN CCCN1C[C@@H](c2ccccc2)N(C2CCN([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285354 562795542 /nfs/dbraw/zinc/79/55/42/562795542.db2.gz DAQIALJXQJYJBM-OFVILXPXSA-N 0 3 526.125 5.214 1 0 KKAFHN Cc1cc(F)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285357 562795546 /nfs/dbraw/zinc/79/55/46/562795546.db2.gz RABMHVAUKSATIA-PZGXJGMVSA-N 0 3 564.750 5.325 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285382 562795575 /nfs/dbraw/zinc/79/55/75/562795575.db2.gz COOGUPBOWLTOIX-OFVILXPXSA-N 0 3 540.152 5.602 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285397 562795617 /nfs/dbraw/zinc/79/56/17/562795617.db2.gz FPBBMOPREIDYGA-LXFBAYGMSA-N 0 3 566.190 6.136 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285405 562795623 /nfs/dbraw/zinc/79/56/23/562795623.db2.gz DGHNQLRVFQCZFN-CUNXSJBXSA-N 0 3 552.163 5.746 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2Cl)CC1 ZINC000096285410 562795643 /nfs/dbraw/zinc/79/56/43/562795643.db2.gz KOCOTUUHHFPNEF-KMRXNPHXSA-N 0 3 567.178 5.531 1 0 KKAFHN NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1 ZINC000096318641 562796561 /nfs/dbraw/zinc/79/65/61/562796561.db2.gz QWSQQNFWDKWSHF-UHFFFAOYSA-N 0 3 530.304 5.743 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccc([S@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903708 562798005 /nfs/dbraw/zinc/79/80/05/562798005.db2.gz ACNHJYRXEIAIIT-GIEABIOQSA-N 0 3 607.647 8.010 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccc([S@@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903709 562798025 /nfs/dbraw/zinc/79/80/25/562798025.db2.gz ACNHJYRXEIAIIT-PWOCEFKDSA-N 0 3 607.647 8.010 1 0 KKAFHN CN(C)C(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2cccc3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096903720 562798029 /nfs/dbraw/zinc/79/80/29/562798029.db2.gz UHIIZWIJDFXPQG-HHHXNRCGSA-N 0 3 637.652 6.328 1 0 KKAFHN O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000096909805 562799763 /nfs/dbraw/zinc/79/97/63/562799763.db2.gz HFZJXDJGOXFFIC-QHCPKHFHSA-N 0 3 501.030 5.715 1 0 KKAFHN CN1CCN(CCCNc2ccc(-n3cc(-c4ccc5ccc(-c6cn(-c7ccc(NCCCN8CCN(C)CC8)cc7)nn6)cc5c4)nn3)cc2)CC1 ZINC000096935079 562803998 /nfs/dbraw/zinc/80/39/98/562803998.db2.gz NMXJWTGBRNHQAZ-UHFFFAOYSA-N 0 3 724.962 5.434 1 0 KKAFHN c1ccc2[nH]c(S[C@@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938108 562804424 /nfs/dbraw/zinc/80/44/24/562804424.db2.gz PANZHNDUZIZCQS-SSEXGKCCSA-N 0 3 513.707 7.250 1 0 KKAFHN COc1ccc(CN2CCN(CCCOc3c4ccc(OC)cc4oc(=O)c3-c3ccccc3)CC2)cc1 ZINC000098085296 562805805 /nfs/dbraw/zinc/80/58/05/562805805.db2.gz UUMVOINJJFVQJD-UHFFFAOYSA-N 0 3 514.622 5.064 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F ZINC000098208075 562805949 /nfs/dbraw/zinc/80/59/49/562805949.db2.gz UOVSZRTTWLJPHE-HNXAPSNLSA-N 0 3 619.546 5.691 1 0 in-vitro KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)C[C@@](N)(C(=O)N2CCCCC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101086381 562809067 /nfs/dbraw/zinc/80/90/67/562809067.db2.gz WBCFUQRECRQFHU-XYHYBEPMSA-N 0 3 528.537 6.244 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC ZINC000101086228 562809071 /nfs/dbraw/zinc/80/90/71/562809071.db2.gz FEQSGCAJKJDTEE-YHBQERECSA-N 0 3 534.694 5.099 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101141164 562809418 /nfs/dbraw/zinc/80/94/18/562809418.db2.gz RCVHDPWYXTVRFR-ASZYYYDVSA-N 0 3 554.488 5.786 1 0 KKAFHN C[C@@H](c1c[nH]c(N)n1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101460093 562810827 /nfs/dbraw/zinc/81/08/27/562810827.db2.gz LYYMDXNIMMMZLB-LLVKDONJSA-N 0 3 530.386 5.404 1 0 KKAFHN O=C(CNC[C@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696333 562811862 /nfs/dbraw/zinc/81/18/62/562811862.db2.gz QKYZJVXMIUJBOC-HXUWFJFHSA-N 0 3 569.683 5.372 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3C4)CC[C@@H]12 ZINC000101812236 562812199 /nfs/dbraw/zinc/81/21/99/562812199.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 0 3 510.744 6.321 1 0 KKAFHN N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCCN2CCCCC2)n1-c1ccccc1 ZINC000103165492 562814603 /nfs/dbraw/zinc/81/46/03/562814603.db2.gz MQQJFGADGHUTQY-UHFFFAOYSA-N 0 3 565.772 6.443 1 0 KKAFHN CCN(C(=O)NCc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196172 562815871 /nfs/dbraw/zinc/81/58/71/562815871.db2.gz QNNMDPWUCCMRER-LJAQVGFWSA-N 0 3 562.780 5.177 1 0 KKAFHN CCCOc1ccc(CN2CCN(CCCOc3c4ccc(OC)cc4oc(=O)c3-c3ccccc3)CC2)cc1 ZINC000103198002 562815940 /nfs/dbraw/zinc/81/59/40/562815940.db2.gz LWSNVLCQDVTLTC-UHFFFAOYSA-N 0 3 542.676 5.844 1 0 KKAFHN NC(=O)[C@]1(c2ccc(C(F)(F)F)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225808 562817800 /nfs/dbraw/zinc/81/78/00/562817800.db2.gz BPUFWGCLVZVQFP-JSCPRHNGSA-N 0 3 534.409 6.547 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3cc(OCCN(C)C)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228647 562818002 /nfs/dbraw/zinc/81/80/02/562818002.db2.gz COAXLPKCRYANBC-UHFFFAOYSA-N 0 3 521.614 5.475 1 0 KKAFHN NC(=O)C[C@]1(Cc2ccc(F)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229881 562818090 /nfs/dbraw/zinc/81/80/90/562818090.db2.gz UTHLEDHUMJNQMN-ISRMLTCMSA-N 0 3 511.468 6.953 1 0 KKAFHN CCN(Cc1ccc(C)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234223 562818526 /nfs/dbraw/zinc/81/85/26/562818526.db2.gz YCCWKDGHGCQGDJ-UHFFFAOYSA-N 0 3 581.201 5.391 1 0 KKAFHN CCN(C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000103234249 562818620 /nfs/dbraw/zinc/81/86/20/562818620.db2.gz PZASBFFWOJWAEO-UHFFFAOYSA-N 0 3 553.147 5.087 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240415 562819451 /nfs/dbraw/zinc/81/94/51/562819451.db2.gz FXCMIAWJXXHNLL-DHUJRADRSA-N 0 3 586.784 5.788 1 0 KKAFHN CN1CCN(C2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000103250831 562820273 /nfs/dbraw/zinc/82/02/73/562820273.db2.gz VWZHCBREEQMVBW-UHFFFAOYSA-N 0 3 514.554 6.369 1 0 KKAFHN Cc1ccc(CNCCO)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264910 562822009 /nfs/dbraw/zinc/82/20/09/562822009.db2.gz LOZLQPRSXRODPM-UHFFFAOYSA-N 0 3 551.569 5.737 1 0 KKAFHN CCOC(=O)[C@@]12CN(C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000105484965 562825315 /nfs/dbraw/zinc/82/53/15/562825315.db2.gz JKJUPHVYTNXPOR-FXCXHTNFSA-N 0 3 571.714 5.452 1 0 KKAFHN CC[NH+](CC)C1CCC(Nc2c3cc(-c4cc(Cl)c([O-])c(OC)c4)ccc3ncc2S(C)(=O)=O)CC1 ZINC000114037186 562827087 /nfs/dbraw/zinc/82/70/87/562827087.db2.gz SSKXDIXSHFWGSG-UHFFFAOYSA-N 0 3 532.106 5.738 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037193 562827169 /nfs/dbraw/zinc/82/71/69/562827169.db2.gz GRTLNJODWXNLKX-HXUWFJFHSA-N 0 3 544.055 5.928 1 0 KKAFHN COc1cc(F)ccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100444 562827706 /nfs/dbraw/zinc/82/77/06/562827706.db2.gz CUWXIGJERCHVDB-OAQYLSRUSA-N 0 3 505.030 5.156 1 0 KKAFHN CC(C)N(C)Cc1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000116055705 562829234 /nfs/dbraw/zinc/82/92/34/562829234.db2.gz DIEHSSBQFAFZHG-UHFFFAOYSA-N 0 3 615.775 5.806 1 0 KKAFHN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1CN ZINC000118790357 562830570 /nfs/dbraw/zinc/83/05/70/562830570.db2.gz ZDRUXXFMVAAUQM-LDLUVENISA-N 0 3 508.062 5.729 1 0 KKAFHN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000137889066 562831642 /nfs/dbraw/zinc/83/16/42/562831642.db2.gz PNQUFWFCVXGXBV-CIBFIPCLSA-N 0 3 641.897 5.722 1 0 KKAFHN CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=S)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139667795 562832707 /nfs/dbraw/zinc/83/27/07/562832707.db2.gz SUSUTCJYDCBBIL-QWIPUYGYSA-N 0 3 541.705 5.794 1 0 KKAFHN [NH3+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142281033 562834142 /nfs/dbraw/zinc/83/41/42/562834142.db2.gz DPRHDWBFUWCIKZ-KNQAVFIVSA-N 0 3 511.496 5.012 1 0 KKAFHN Clc1cnc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000143004867 562834509 /nfs/dbraw/zinc/83/45/09/562834509.db2.gz JGVMJJLMUPHTRV-UHFFFAOYSA-N 0 3 519.012 5.496 1 0 KKAFHN COc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143094298 562834582 /nfs/dbraw/zinc/83/45/82/562834582.db2.gz NAACULNRHQOKEJ-JOCHJYFZSA-N 0 3 614.150 5.031 1 0 KKAFHN Brc1c2nc(N[C@H]3COC[C@@H]3N3CCCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000143672422 562835258 /nfs/dbraw/zinc/83/52/58/562835258.db2.gz FAVKUHSIQIXZCN-IUCAKERBSA-N 0 3 601.963 5.278 1 0 KKAFHN C[C@@H]1CN(Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@]56c5ccccc5NC6=O)ccc34)cc2)C[C@H](C)N1C ZINC000145003383 562836854 /nfs/dbraw/zinc/83/68/54/562836854.db2.gz URVYHEBYZIZVST-LCXZTEIGSA-N 0 3 517.677 5.635 1 0 KKAFHN C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CC[NH+](C2CCCCC2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145249998 562836946 /nfs/dbraw/zinc/83/69/46/562836946.db2.gz HUUJXNFSUJYWIH-IBGZPJMESA-N 0 3 584.680 5.091 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)N5CCCC5)cc43)cc2)CC1 ZINC000147946768 562839777 /nfs/dbraw/zinc/83/97/77/562839777.db2.gz HUUXJEYKBSKWTM-NDEPHWFRSA-N 0 3 515.683 5.540 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148159060 562840368 /nfs/dbraw/zinc/84/03/68/562840368.db2.gz HYNBWGRVGBGDIZ-UHFFFAOYSA-N 0 3 612.682 5.237 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148162673 562840376 /nfs/dbraw/zinc/84/03/76/562840376.db2.gz HGBAMBQUQCBTAG-IBGZPJMESA-N 0 3 610.641 5.132 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148154613 562840380 /nfs/dbraw/zinc/84/03/80/562840380.db2.gz KLYVJISDBIDMGG-UHFFFAOYSA-N 0 3 579.631 5.315 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(C(C)=O)c2)n1 ZINC000148439599 562841285 /nfs/dbraw/zinc/84/12/85/562841285.db2.gz TZOHMRKONIXKOT-UHFFFAOYSA-N 0 3 543.546 5.067 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@@H]3C)n1 ZINC000148437485 562841303 /nfs/dbraw/zinc/84/13/03/562841303.db2.gz CTTGDSKEPYUNTA-KRWDZBQOSA-N 0 3 555.601 5.914 1 0 KKAFHN CCOc1ccccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148619256 562841550 /nfs/dbraw/zinc/84/15/50/562841550.db2.gz FYBDLDRPZFWUMY-QHCPKHFHSA-N 0 3 501.067 5.407 1 0 KKAFHN COc1cc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148939134 562841969 /nfs/dbraw/zinc/84/19/69/562841969.db2.gz GZHUKRDKTDCKQD-NRFANRHFSA-N 0 3 505.030 5.156 1 0 KKAFHN CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3 ZINC000150523062 562843558 /nfs/dbraw/zinc/84/35/58/562843558.db2.gz STGBYQRLSYKRRZ-KKLWWLSJSA-N 0 3 730.906 5.853 1 0 KKAFHN CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3 ZINC000150523071 562843628 /nfs/dbraw/zinc/84/36/28/562843628.db2.gz NTQMYHKKRHULRZ-XPSQVAKYSA-N 0 3 787.014 7.413 1 0 KKAFHN COc1ccc(C2=NN(CCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000150591279 562846233 /nfs/dbraw/zinc/84/62/33/562846233.db2.gz GRNBKBZWMMRNLG-XZKOCJDSSA-N 0 3 672.823 5.444 1 0 KKAFHN CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)nc4c3)o2)cc1)c1ccccc1 ZINC000150599284 562846951 /nfs/dbraw/zinc/84/69/51/562846951.db2.gz KZUJWSNYJOUTAI-HTNZGVODSA-N 0 3 764.931 7.084 1 0 KKAFHN CN(C)C[C@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@@H](O)c1ccccc1 ZINC000164752696 562849727 /nfs/dbraw/zinc/84/97/27/562849727.db2.gz FAPXOLFYGWNEHZ-VOJFVSQTSA-N 0 3 640.012 5.936 1 0 KKAFHN Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(O)cc5CN5CCCOCC5)c4)CC3)cn21 ZINC000166567958 562850455 /nfs/dbraw/zinc/85/04/55/562850455.db2.gz ZZQVIKMAVDANAH-RNPORBBMSA-N 0 3 692.792 6.035 1 0 KKAFHN Brc1cnc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000167321643 562850724 /nfs/dbraw/zinc/85/07/24/562850724.db2.gz YUJQWKDHWHVRHF-UHFFFAOYSA-N 0 3 563.463 5.605 1 0 KKAFHN Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)C3)n[nH]2)n1 ZINC000167561329 562850951 /nfs/dbraw/zinc/85/09/51/562850951.db2.gz LUGSGIZADRPGGK-UHFFFAOYSA-N 0 3 557.637 5.563 1 0 KKAFHN Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN(C)C)cc4)c3)CC2)cs1 ZINC000167945320 562851108 /nfs/dbraw/zinc/85/11/08/562851108.db2.gz XICMKLUOIJBVLJ-WMPKNSHKSA-N 0 3 587.721 5.978 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N(C)Cc1ccccc1 ZINC000169293474 562852093 /nfs/dbraw/zinc/85/20/93/562852093.db2.gz RRXLVZYMIDIHBC-XNMGPUDCSA-N 0 3 562.723 6.658 1 0 KKAFHN CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N[C@@H](c2ccccc2)C1 ZINC000169293445 562852105 /nfs/dbraw/zinc/85/21/05/562852105.db2.gz MDYPEKYXGSHXAG-PKTNWEFCSA-N 0 3 523.098 6.178 3 0 KKAFHN c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312229 562855301 /nfs/dbraw/zinc/85/53/01/562855301.db2.gz BAFXUENWHNQFKY-XRKRLSELSA-N 0 3 500.664 6.464 1 0 KKAFHN c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312230 562855312 /nfs/dbraw/zinc/85/53/12/562855312.db2.gz BAFXUENWHNQFKY-YTMVLYRLSA-N 0 3 500.664 6.464 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321602 562856680 /nfs/dbraw/zinc/85/66/80/562856680.db2.gz LHPWDBFTYJAHFI-UHFFFAOYSA-N 0 3 534.635 7.295 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324428 562857330 /nfs/dbraw/zinc/85/73/30/562857330.db2.gz JDRMLVJCKYUDNZ-UHFFFAOYSA-N 0 3 605.827 7.773 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169325209 562857599 /nfs/dbraw/zinc/85/75/99/562857599.db2.gz OSSPSHRRZUSXJJ-UHFFFAOYSA-N 0 3 548.775 8.657 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334282 562859455 /nfs/dbraw/zinc/85/94/55/562859455.db2.gz NEZXOJFFVXIHRV-XMMPIXPASA-N 0 3 574.993 8.092 1 0 KKAFHN CCOCCN(CCOCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc21 ZINC000169334623 562859510 /nfs/dbraw/zinc/85/95/10/562859510.db2.gz DTKTXUBGUXHGPQ-AREMUKBSSA-N 0 3 507.458 5.626 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000169335999 562859784 /nfs/dbraw/zinc/85/97/84/562859784.db2.gz USZXVIBFNVVPER-BCGVSBSESA-N 0 3 592.624 8.456 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3Nc3ncc(-c4ccccc4)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347477 562862001 /nfs/dbraw/zinc/86/20/01/562862001.db2.gz VFGVHTJXHWDHSW-UHFFFAOYSA-N 0 3 559.179 8.444 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348460 562862247 /nfs/dbraw/zinc/86/22/47/562862247.db2.gz LJKWFLQTKZQPGU-ZQAZVOLISA-N 0 3 626.842 6.306 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N([C@@H](C)CC)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348499 562862282 /nfs/dbraw/zinc/86/22/82/562862282.db2.gz VTJOLGKDSXXCAR-RRURFNPQSA-N 0 3 626.842 6.306 1 0 KKAFHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000169361590 562864213 /nfs/dbraw/zinc/86/42/13/562864213.db2.gz PSOLLAWKFQBNIY-IXQHYERASA-N 0 3 655.909 5.707 1 0 KKAFHN CC(C)CCN1CC[C@@H](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169362670 562864268 /nfs/dbraw/zinc/86/42/68/562864268.db2.gz GRZGPYMYCGWTKZ-KEKPKEOLSA-N 0 3 536.713 5.421 1 0 KKAFHN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703462 562868765 /nfs/dbraw/zinc/86/87/65/562868765.db2.gz YPLNPVBNHFCCPP-UHFFFAOYSA-N 0 3 519.653 5.364 1 0 KKAFHN CCc1cn(-c2ccc(C(N)=O)c(NC3CCN(C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703488 562868806 /nfs/dbraw/zinc/86/88/06/562868806.db2.gz OIAGNBRBPDPDQL-UHFFFAOYSA-N 0 3 504.638 5.408 1 0 KKAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1 ZINC000169711604 562871054 /nfs/dbraw/zinc/87/10/54/562871054.db2.gz XIJVCNLGAHCGGX-UHFFFAOYSA-N 0 3 571.678 5.493 1 0 KKAFHN Cc1c(-c2cc(Nc3nc4c(s3)CNCC4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000199975997 562873163 /nfs/dbraw/zinc/87/31/63/562873163.db2.gz SVJLSEOIBZWLLQ-UHFFFAOYSA-N 0 3 532.695 5.111 1 0 KKAFHN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)NCCN1CCCC1 ZINC000214151704 562877301 /nfs/dbraw/zinc/87/73/01/562877301.db2.gz XXIRZGYGUVYGSA-PLRJNAJWSA-N 0 3 536.701 6.345 1 0 KKAFHN N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(C[C@@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000219072625 562877976 /nfs/dbraw/zinc/87/79/76/562877976.db2.gz MWPFNYBDOHKZHA-UCGGBYDDSA-N 0 3 585.793 6.410 1 0 KKAFHN COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000221005661 562878726 /nfs/dbraw/zinc/87/87/26/562878726.db2.gz YBMQYNARIZUNIO-WJOKGBTCSA-N 0 3 593.555 7.310 1 0 KKAFHN CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299825336 562883546 /nfs/dbraw/zinc/88/35/46/562883546.db2.gz CDRLKZNHYNZTNA-UHFFFAOYSA-N 0 3 535.888 6.936 1 0 KKAFHN CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(-c2ccc(Cl)cc2)c(F)cc3[O-])CC1 ZINC000299825734 562883655 /nfs/dbraw/zinc/88/36/55/562883655.db2.gz NQRMASQBYCUBKZ-UHFFFAOYSA-N 0 3 697.173 9.926 1 0 KKAFHN O=C(NCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299827772 562884219 /nfs/dbraw/zinc/88/42/19/562884219.db2.gz HUAUVHYOLGBGMR-UHFFFAOYSA-N 0 3 638.643 9.006 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299829067 562884733 /nfs/dbraw/zinc/88/47/33/562884733.db2.gz KMYSMOYQAFQXMY-UHFFFAOYSA-N 0 3 609.598 5.820 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299832099 562885751 /nfs/dbraw/zinc/88/57/51/562885751.db2.gz RMXJOANOBDNJEL-UHFFFAOYSA-N 0 3 595.571 5.430 1 0 KKAFHN C[C@H]1N[C@H](C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)Cc2c3ccccc3[nH]c21 ZINC000299833603 562886227 /nfs/dbraw/zinc/88/62/27/562886227.db2.gz HSQBZWURRKNSMR-PBBNMVCDSA-N 0 3 509.698 5.959 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c([O-])cc1O ZINC000299835212 562886755 /nfs/dbraw/zinc/88/67/55/562886755.db2.gz KXPSBWYDIUVSGL-OALUTQOASA-N 0 3 503.643 6.370 1 0 KKAFHN COc1cc2cc(C(=O)NCCCCCNc3c4ccccc4nc4c3CCCC4)c(=O)oc2cc1OC ZINC000299835584 562886902 /nfs/dbraw/zinc/88/69/02/562886902.db2.gz WQAOCFQOQDPKHB-UHFFFAOYSA-N 0 3 515.610 5.249 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CN(C)C)CC[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2 ZINC000299836240 562887062 /nfs/dbraw/zinc/88/70/62/562887062.db2.gz MOPGWGJXMFPHMU-NDIVSWGXSA-N 0 3 716.877 5.514 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(C2CCCC2)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C2CCCC2)[nH]1)C(=O)NCc1ccccc1 ZINC000299839109 562888093 /nfs/dbraw/zinc/88/80/93/562888093.db2.gz QBMCMRODRWGVPJ-QXUSSCGESA-N 0 3 804.009 6.137 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1cnc(C2CCCC2)[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCC2)n1)C(=O)NCc1ccccc1 ZINC000299839109 562888094 /nfs/dbraw/zinc/88/80/94/562888094.db2.gz QBMCMRODRWGVPJ-QXUSSCGESA-N 0 3 804.009 6.137 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299860662 562892976 /nfs/dbraw/zinc/89/29/76/562892976.db2.gz GYANWDNIKGBQDN-UUWRZZSWSA-N 0 3 543.752 7.007 1 0 KKAFHN CO[C@H]1CCCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862928 562893706 /nfs/dbraw/zinc/89/37/06/562893706.db2.gz KIIVFPPAZKVFDP-MHZLTWQESA-N 0 3 549.502 7.351 1 0 KKAFHN C[C@H](CN(C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299866181 562894602 /nfs/dbraw/zinc/89/46/02/562894602.db2.gz OQCFGGOXRNFFJG-YUGCFENPSA-N 0 3 545.683 5.790 1 0 KKAFHN O=C(c1ccc(OCCN2CCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299867316 562894830 /nfs/dbraw/zinc/89/48/30/562894830.db2.gz QDLRHMZRLCCZQC-SVBGJNGRSA-N 0 3 557.694 5.936 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN3CCCCC3)O5)ccc2OC)c1 ZINC000299868287 562895089 /nfs/dbraw/zinc/89/50/89/562895089.db2.gz ZPRMBYFIGYTTNA-NDEPHWFRSA-N 0 3 583.641 5.305 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299870690 562895535 /nfs/dbraw/zinc/89/55/35/562895535.db2.gz WSGCGGATBVZWKD-OJWOXQGASA-N 0 3 571.721 6.326 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3C(F)(F)F)c(=O)n2C)cc1F ZINC000473090923 562897632 /nfs/dbraw/zinc/89/76/32/562897632.db2.gz QIYZTXDAIQBDKE-UHFFFAOYSA-N 0 3 722.740 6.260 1 0 KKAFHN COc1ccccc1CN(C)CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473112742 562898722 /nfs/dbraw/zinc/89/87/22/562898722.db2.gz GDYOTQGQDLNPGL-UHFFFAOYSA-N 0 3 533.621 5.785 1 0 KKAFHN COc1cc2oc(-c3ccc(OCCCCCCN4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473116480 562899148 /nfs/dbraw/zinc/89/91/48/562899148.db2.gz WTRZMFFNXUJKHQ-UHFFFAOYSA-N 0 3 586.729 6.243 1 0 KKAFHN COc1ccccc1C[N@H+](C)CCCCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473117372 562899175 /nfs/dbraw/zinc/89/91/75/562899175.db2.gz YZQTYOSPSMIVKH-UHFFFAOYSA-N 0 3 547.648 6.263 1 0 KKAFHN COc1ccccc1C[N@@H+](C)CCCCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473117372 562899176 /nfs/dbraw/zinc/89/91/76/562899176.db2.gz YZQTYOSPSMIVKH-UHFFFAOYSA-N 0 3 547.648 6.263 1 0 KKAFHN O=C(/C=C/CN(C1CC1)C1CC1)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000473121102 562899386 /nfs/dbraw/zinc/89/93/86/562899386.db2.gz FJNJCQOYEGCBBS-ZGTHZTNPSA-N 0 3 538.023 5.455 1 0 KKAFHN COCCOc1cc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2cc1NC(=O)/C=C/CN(C)C ZINC000473124019 562899606 /nfs/dbraw/zinc/89/96/06/562899606.db2.gz MTSCCALHTIRYSN-SNAWJCMRSA-N 0 3 523.943 5.127 1 0 KKAFHN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(NCCCN2CCN(CC)CC2)cc1 ZINC000473149652 562901541 /nfs/dbraw/zinc/90/15/41/562901541.db2.gz JXMKJNIOAIGALY-UHFFFAOYSA-N 0 3 529.607 5.035 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CCC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179721 562903428 /nfs/dbraw/zinc/90/34/28/562903428.db2.gz IXCHJMYKGOCIGQ-VJBMBRPKSA-N 0 3 537.104 5.288 1 0 KKAFHN Cc1ncsc1CN(C(=O)CC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000473233240 562904508 /nfs/dbraw/zinc/90/45/08/562904508.db2.gz RWBFFGLASJRBLC-JGCGQSQUSA-N 0 3 599.845 8.497 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1ccccc1 ZINC000653712805 562908182 /nfs/dbraw/zinc/90/81/82/562908182.db2.gz QXQOBCBJOCQFRK-JGCGQSQUSA-N 0 3 507.634 5.772 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(Br)c1 ZINC000653714253 562908386 /nfs/dbraw/zinc/90/83/86/562908386.db2.gz JEEVMYLVUPBCFP-JGCGQSQUSA-N 0 3 586.530 6.534 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccc5ccccc5c4)nn3)cc1)CC2 ZINC000653717534 562908583 /nfs/dbraw/zinc/90/85/83/562908583.db2.gz MXHJCSIMGXEOEW-UHFFFAOYSA-N 0 3 520.633 5.618 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccc(C(C)C)cc4)nn3)cc1)CC2 ZINC000653720586 562908733 /nfs/dbraw/zinc/90/87/33/562908733.db2.gz KALANPZFAKSAHJ-UHFFFAOYSA-N 0 3 512.654 5.588 1 0 KKAFHN COc1cc(/C=C/c2ccc(OCC(=O)NCCCCCCN(C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653723552 562908910 /nfs/dbraw/zinc/90/89/10/562908910.db2.gz RRFCBVMSNFRIOI-BUHFOSPRSA-N 0 3 546.708 6.070 1 0 KKAFHN CCN(CCCCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653727844 562909253 /nfs/dbraw/zinc/90/92/53/562909253.db2.gz UVFOASANNBDTFF-CCEZHUSRSA-N 0 3 560.735 6.460 1 0 KKAFHN Cc1c(CC(=O)NCCN(C)C)c2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc2n1S(=O)(=O)c1ccccc1 ZINC000653782776 562912258 /nfs/dbraw/zinc/91/22/58/562912258.db2.gz XRNRNFHSVSOCTA-UHFFFAOYSA-N 0 3 624.763 5.238 1 0 KKAFHN Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653784814 562912303 /nfs/dbraw/zinc/91/23/03/562912303.db2.gz BUGBKWPNQLBXIH-UHFFFAOYSA-N 0 3 561.608 7.332 1 0 KKAFHN O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653794117 562912882 /nfs/dbraw/zinc/91/28/82/562912882.db2.gz RSNNOUWADQQHGE-UHFFFAOYSA-N 0 3 520.559 7.022 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3F)nn2)cc1F ZINC000653867753 562916292 /nfs/dbraw/zinc/91/62/92/562916292.db2.gz LVRLELVUZGRCSO-UHFFFAOYSA-N 0 3 629.668 5.163 1 0 KKAFHN COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C ZINC000066156584 565116729 /nfs/dbraw/zinc/11/67/29/565116729.db2.gz ANOXEUSGZWSCQL-KYJUHHDHSA-N 0 3 622.762 7.162 3 0 biogenic,in-vitro KKAFHN COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](CN3C)C4)c(OC)cc2CCN1C ZINC000095485887 565173502 /nfs/dbraw/zinc/17/35/02/565173502.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 0 3 650.816 6.472 1 0 biogenic,in-vitro KKAFHN CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567487 291939820 /nfs/dbraw/zinc/93/98/20/291939820.db2.gz HATJVHRLOXTJRB-LLUCYPRPSA-N 0 3 618.727 5.458 1 0 biogenic,in-vitro KKAFHN CCNC1(Oc2cc(OC)c3c4c2CNc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567542 291939824 /nfs/dbraw/zinc/93/98/24/291939824.db2.gz OZTLEVSGBPJGQE-WYOOIXGGSA-N 0 3 602.728 5.967 1 0 biogenic,in-vitro KKAFHN CN[C@H]1C=Cc2c([C@H]3Oc4c(ccc5c4[C@]4(CC[C@H](Cc6ccc(N)nc6)C4)Cc4cc(O)cc(OC)c4-5)[C@@H]3COC(C)=O)ccc(O)c2OC1 ZINC000085568341 291957106 /nfs/dbraw/zinc/95/71/06/291957106.db2.gz AUPGUQJJKCMVBE-YAPZVVLTSA-N 0 3 689.809 6.361 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2CCC(C)(C)c3ccccc32)c1)CO4 ZINC000085567387 519086349 /nfs/dbraw/zinc/08/63/49/519086349.db2.gz SKNXRCJUTAKOIG-YEWZGAGMSA-N 0 3 752.905 6.589 1 0 biogenic,in-vitro KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)c(Cl)c1 ZINC000001484613 561675783 /nfs/dbraw/zinc/67/57/83/561675783.db2.gz OTFOAJZBMZMLGV-UHFFFAOYSA-N 0 3 531.031 6.112 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1cccc2ccccc21)c1ccc(OCCN2CCCCC2)cc1 ZINC000001545571 561677155 /nfs/dbraw/zinc/67/71/55/561677155.db2.gz UPNAHMSJUMHPOR-UHFFFAOYSA-N 0 3 507.655 7.523 1 0 KKAFHN O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCCC3)c3sccc32)cc1)c1ccccc1-c1ccccc1 ZINC000003937015 561688613 /nfs/dbraw/zinc/68/86/13/561688613.db2.gz WPUYJTITOZWSHH-UHFFFAOYSA-N 0 3 550.728 6.620 1 0 KKAFHN CN1CCN(c2ccnc3cc4c(cc32)N(C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC4)CC1 ZINC000003940537 561689297 /nfs/dbraw/zinc/68/92/97/561689297.db2.gz WPPHYUSGNVCERB-UHFFFAOYSA-N 0 3 514.633 5.796 1 0 KKAFHN COc1cc(C(=O)N2CCOC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000004393260 561694780 /nfs/dbraw/zinc/69/47/80/561694780.db2.gz RWSBBXFLRGQFQP-RKCQUONGSA-N 0 3 673.659 6.031 1 0 KKAFHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596472 561706089 /nfs/dbraw/zinc/70/60/89/561706089.db2.gz ASQVRSPRDWVAEL-UHFFFAOYSA-N 0 3 622.210 6.291 1 0 KKAFHN O=c1cc(NCCCN[C@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12 ZINC000009133494 561708843 /nfs/dbraw/zinc/70/88/43/561708843.db2.gz ILZKSAPJCKJDGI-KRWDZBQOSA-N 0 3 509.775 5.114 1 0 KKAFHN O=c1cc(NCCCN[C@H]2CCNc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000009132828 561708936 /nfs/dbraw/zinc/70/89/36/561708936.db2.gz YXYUCGITAGFKSB-KRWDZBQOSA-N 0 3 506.242 5.414 1 0 KKAFHN COc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 ZINC000013472199 561714124 /nfs/dbraw/zinc/71/41/24/561714124.db2.gz KBKTWSOCLDXSQT-OUDZLNJNSA-N 0 3 504.630 5.131 1 0 KKAFHN O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1F)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448527 561713342 /nfs/dbraw/zinc/71/33/42/561713342.db2.gz HTULAWDUXVEOJC-UHFFFAOYSA-N 0 3 503.593 5.269 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(Cc3ccccc3O2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013479393 561715009 /nfs/dbraw/zinc/71/50/09/561715009.db2.gz YFTCALDDQYKURH-RUZDIDTESA-N 0 3 525.114 5.604 1 0 KKAFHN COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000013479388 561715037 /nfs/dbraw/zinc/71/50/37/561715037.db2.gz HQINIQYECXZZQZ-RUZDIDTESA-N 0 3 527.130 6.023 1 0 KKAFHN CCCN(Cc1sc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587342 561720672 /nfs/dbraw/zinc/72/06/72/561720672.db2.gz CMJNMXRSXCYJIR-UHFFFAOYSA-N 0 3 506.343 7.853 1 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CCN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000013661185 561723480 /nfs/dbraw/zinc/72/34/80/561723480.db2.gz QVXVWLQXQKIEKW-HSZRJFAPSA-N 0 3 521.654 6.280 3 0 KKAFHN Cn1cc(C(=O)NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c2ccccc21 ZINC000013675677 561724080 /nfs/dbraw/zinc/72/40/80/561724080.db2.gz XLZKWRHITDAXOX-UHFFFAOYSA-N 0 3 503.090 7.051 1 0 KKAFHN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000013744546 561726561 /nfs/dbraw/zinc/72/65/61/561726561.db2.gz XHNPKKNIQBKPHA-ZONZVBGPSA-N 0 3 525.577 8.068 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5Oc5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780471 561729194 /nfs/dbraw/zinc/72/91/94/561729194.db2.gz SSFSWVIFTITAGI-DZVDWBIPSA-N 0 3 506.602 5.365 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780465 561729199 /nfs/dbraw/zinc/72/91/99/561729199.db2.gz JEUCGGOZAIJNFG-DZVDWBIPSA-N 0 3 506.602 5.365 1 0 KKAFHN COc1ccc(OCCN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781689 561729464 /nfs/dbraw/zinc/72/94/64/561729464.db2.gz YMJMLBOAWZAJFV-NDEPHWFRSA-N 0 3 528.759 5.971 1 0 KKAFHN COc1ccc(C(c2ccc(OC)cc2)C2CCN(CCCOc3ccc(C(C)=O)cc3OC)CC2)cc1 ZINC000013824907 561732732 /nfs/dbraw/zinc/73/27/32/561732732.db2.gz UADUJKAMTSHJQS-UHFFFAOYSA-N 0 3 517.666 6.228 1 0 KKAFHN CN(C)C(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834325 561734206 /nfs/dbraw/zinc/73/42/06/561734206.db2.gz CMYBPYJQAUGJNO-UHFFFAOYSA-N 0 3 528.674 6.071 1 0 KKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000013862757 561734827 /nfs/dbraw/zinc/73/48/27/561734827.db2.gz VEWSJWHSMIMAHF-HKGQOMTBSA-N 0 3 502.486 5.145 1 0 KKAFHN Clc1cc(Cl)c2c(c1)nc1c(c2NCCCCCCCNc2c3c(nc4cc(Cl)cc(Cl)c42)CCCC3)CCCC1 ZINC000014947265 561744524 /nfs/dbraw/zinc/74/45/24/561744524.db2.gz AXLKXPGGRMASKW-UHFFFAOYSA-N 0 3 630.491 10.629 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1scc(CNCCCn2ccnc2)c1Cl ZINC000014963746 561749196 /nfs/dbraw/zinc/74/91/96/561749196.db2.gz SGUFDEKHCMVEHV-UHFFFAOYSA-N 0 3 562.910 6.589 1 0 KKAFHN O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014977337 561752311 /nfs/dbraw/zinc/75/23/11/561752311.db2.gz NXTQVMUVBFNMQZ-UHFFFAOYSA-N 0 3 561.008 5.299 1 0 KKAFHN COc1ccc(C)cc1[N-]c1n[n+](-c2ccccc2)c(-c2cc(OC)c(OC)cc2Br)s1 ZINC000015936851 561753320 /nfs/dbraw/zinc/75/33/20/561753320.db2.gz ZDIIUWNULZFXBG-UHFFFAOYSA-N 0 3 513.437 5.927 3 0 KKAFHN COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545728 561756039 /nfs/dbraw/zinc/75/60/39/561756039.db2.gz VBFWTUJPDMIBLF-DEOSSOPVSA-N 0 3 573.686 6.511 3 0 KKAFHN COc1cc([C@H](CCN2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000017545794 561756043 /nfs/dbraw/zinc/75/60/43/561756043.db2.gz CEXHKARDBJYWJT-VWLOTQADSA-N 0 3 588.701 5.489 3 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(OCCCCCCN2CCN(C)CC2)c1 ZINC000022925854 561759693 /nfs/dbraw/zinc/75/96/93/561759693.db2.gz LHIKYMNCLXSHKH-UHFFFAOYSA-N 0 3 509.698 6.096 1 0 KKAFHN COc1cc(OC)cc(-c2cc3cnc(NCCCCCN4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000023357871 561761742 /nfs/dbraw/zinc/76/17/42/561761742.db2.gz LUPSYDSJDYGOGY-UHFFFAOYSA-N 0 3 563.747 5.064 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160954 561768529 /nfs/dbraw/zinc/76/85/29/561768529.db2.gz XOLUMIJQZDSNAE-ZJSXRUAMSA-N 0 3 504.652 5.097 1 0 KKAFHN COc1ccc([C@@H](CCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026268296 561776678 /nfs/dbraw/zinc/77/66/78/561776678.db2.gz CJJFSFFAFAEWIN-SSEXGKCCSA-N 0 3 507.696 6.701 1 0 KKAFHN COc1cc(Cc2c3ccccc3sc2-c2ccc(OCCCCO)cc2)ccc1CN1CCCC1 ZINC000026395666 561786935 /nfs/dbraw/zinc/78/69/35/561786935.db2.gz USQJNRRPTXDJNO-UHFFFAOYSA-N 0 3 501.692 6.915 1 0 KKAFHN CC[C@@H](NCCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026491358 561793396 /nfs/dbraw/zinc/79/33/96/561793396.db2.gz NODHTDVWAVGANT-JOCHJYFZSA-N 0 3 506.532 5.554 1 0 KKAFHN CN(C)CCc1c2cc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026508345 561796998 /nfs/dbraw/zinc/79/69/98/561796998.db2.gz MGXUBCMNTTYNHN-UHFFFAOYSA-N 0 3 599.735 5.240 1 0 KKAFHN O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3CCNCC3)cc2N1c1c(Cl)cccc1Cl ZINC000026654696 561808985 /nfs/dbraw/zinc/80/89/85/561808985.db2.gz BMNBPNRAKNFVAB-UHFFFAOYSA-N 0 3 522.408 5.589 1 0 KKAFHN Cn1cc(Cc2cn(CC(=O)N(CCN)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026576862 561800694 /nfs/dbraw/zinc/80/06/94/561800694.db2.gz FNUFKVJAONMVTK-UHFFFAOYSA-N 0 3 631.177 5.307 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Br)cc2ccccc21 ZINC000026659280 561810103 /nfs/dbraw/zinc/81/01/03/561810103.db2.gz NUKZUQXYNIFDJX-CBWMPJGPSA-N 0 3 686.543 8.772 1 0 KKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1 ZINC000026663934 561810712 /nfs/dbraw/zinc/81/07/12/561810712.db2.gz AQGDMGSGBMCAQM-IZZNHLLZSA-N 0 3 510.465 5.275 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026728561 561816421 /nfs/dbraw/zinc/81/64/21/561816421.db2.gz VRPOLMJTYHGPAL-KLWPZSMLSA-N 0 3 506.602 5.365 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+][C@H](C(C)C)C3)c2c1 ZINC000026729958 561816655 /nfs/dbraw/zinc/81/66/55/561816655.db2.gz ZHKULDQPRKBNKV-QFIPXVFZSA-N 0 3 515.104 5.646 1 0 KKAFHN CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026970065 561830283 /nfs/dbraw/zinc/83/02/83/561830283.db2.gz LURXIMFKURDUPV-IUKMQXEJSA-N 0 3 575.653 6.804 1 0 KKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OCCCc4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027095598 561837996 /nfs/dbraw/zinc/83/79/96/561837996.db2.gz LWPLIGWDKHLNEC-OGICNVKRSA-N 0 3 532.684 5.879 1 0 KKAFHN CC(C)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000027098137 561838237 /nfs/dbraw/zinc/83/82/37/561838237.db2.gz JZIDYGOQFGSPBI-VKQIGKSZSA-N 0 3 547.095 5.098 1 0 KKAFHN O=C(c1c2ccccc2sc1-c1ccc(OCCC2CCCC2)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000027101623 561838860 /nfs/dbraw/zinc/83/88/60/561838860.db2.gz GQDMWEGXOMULHR-UHFFFAOYSA-N 0 3 539.741 8.233 1 0 KKAFHN O=C(c1c2ccccc2sc1-c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCC2CCCC2)cc1 ZINC000027102305 561839082 /nfs/dbraw/zinc/83/90/82/561839082.db2.gz VUQKSNXWZJQSQB-UHFFFAOYSA-N 0 3 539.741 8.233 1 0 KKAFHN CCCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000027104711 561839723 /nfs/dbraw/zinc/83/97/23/561839723.db2.gz YMXIFQQEPLWWIN-VKQIGKSZSA-N 0 3 547.095 5.099 1 0 KKAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)N2C ZINC000027214038 561847765 /nfs/dbraw/zinc/84/77/65/561847765.db2.gz XRLXHADLAXWZDU-JSXRDJHFSA-N 0 3 617.265 5.026 1 0 KKAFHN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027320534 561852576 /nfs/dbraw/zinc/85/25/76/561852576.db2.gz MALCCJMOWDULCW-UHFFFAOYSA-N 0 3 664.822 7.714 1 0 KKAFHN O=C(c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000027440939 561860668 /nfs/dbraw/zinc/86/06/68/561860668.db2.gz OLQNPCDTUVACCH-XIFFEERXSA-N 0 3 589.648 5.737 1 0 KKAFHN O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2c1OCO2)N1CCN(C2CCCCC2)CC1 ZINC000027518334 561862175 /nfs/dbraw/zinc/86/21/75/561862175.db2.gz NRUOJZQFHLBZAO-XMMPIXPASA-N 0 3 585.589 5.803 1 0 KKAFHN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027524476 561865678 /nfs/dbraw/zinc/86/56/78/561865678.db2.gz VFQLHOJNCNGPIK-AREMUKBSSA-N 0 3 501.552 6.585 1 0 KKAFHN C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCOC(c1ccccc1)c1ccccc1 ZINC000027524455 561865718 /nfs/dbraw/zinc/86/57/18/561865718.db2.gz LIDYDSLIYWWVDI-RNPORBBMSA-N 0 3 534.744 6.993 1 0 KKAFHN CN(C)Cc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F ZINC000027562482 561871021 /nfs/dbraw/zinc/87/10/21/561871021.db2.gz QSCMMQVEIMKWOL-UHFFFAOYSA-N 0 3 560.573 5.415 1 0 KKAFHN CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)C[C@@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564673 561871938 /nfs/dbraw/zinc/87/19/38/561871938.db2.gz UMICGKRYLVIYSJ-VWLOTQADSA-N 0 3 554.624 7.181 1 0 KKAFHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027635636 561874333 /nfs/dbraw/zinc/87/43/33/561874333.db2.gz KWYPWVKRUAHLRV-WJOKGBTCSA-N 0 3 593.216 5.607 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc(Oc2ccccc2)c1 ZINC000027643476 561875553 /nfs/dbraw/zinc/87/55/53/561875553.db2.gz NIQMZABATFQIMI-UHFFFAOYSA-N 0 3 558.126 5.920 1 0 KKAFHN O=C(/C=C/c1ccc(-c2ccccc2)nc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027649621 561876443 /nfs/dbraw/zinc/87/64/43/561876443.db2.gz KITJHWWPYQKUFJ-XUTLUUPISA-N 0 3 530.716 6.065 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccn3)cc1)CC2 ZINC000027655231 561877279 /nfs/dbraw/zinc/87/72/79/561877279.db2.gz DIDZZFWLAIYTKE-UHFFFAOYSA-N 0 3 536.632 5.204 1 0 KKAFHN CCCOc1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027654715 561877292 /nfs/dbraw/zinc/87/72/92/561877292.db2.gz IGKPCPCXJOGZDF-BMRADRMJSA-N 0 3 512.698 5.187 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc1)CC2 ZINC000027656133 561877536 /nfs/dbraw/zinc/87/75/36/561877536.db2.gz BSJNRONUCRMMKI-UHFFFAOYSA-N 0 3 525.605 5.402 1 0 KKAFHN O=c1cc(NCCCNCc2cc(Br)cc(Br)c2OCC(F)(F)F)[nH]c2ccccc12 ZINC000027722023 561880619 /nfs/dbraw/zinc/88/06/19/561880619.db2.gz QMCFVZYWHCGGJD-UHFFFAOYSA-N 0 3 563.212 5.586 1 0 KKAFHN CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C3CCCCC3)CC1)c1ccccc1S2 ZINC000027861902 561887096 /nfs/dbraw/zinc/88/70/96/561887096.db2.gz WFCMZKJJIDHGFI-UHFFFAOYSA-N 0 3 513.773 6.222 1 0 KKAFHN CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(Cc3ccccc3)CC1)c1ccccc1S2 ZINC000027868321 561887936 /nfs/dbraw/zinc/88/79/36/561887936.db2.gz NSDBRWVOMFLMCQ-UHFFFAOYSA-N 0 3 521.752 5.884 1 0 KKAFHN CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 ZINC000027875104 561888518 /nfs/dbraw/zinc/88/85/18/561888518.db2.gz SNPYJRUVKZQNQP-UHFFFAOYSA-N 0 3 575.112 7.331 1 0 KKAFHN COC(=O)c1nc2cc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5CC6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)ccc2[n-]1 ZINC000027979572 561891406 /nfs/dbraw/zinc/89/14/06/561891406.db2.gz VUEWGUYETSYJTE-WPCLDFDBSA-N 0 3 659.875 7.729 1 0 KKAFHN COc1cc(C(=O)N2COC(CCN3CCC4(C[S@](=O)c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997749 561894159 /nfs/dbraw/zinc/89/41/59/561894159.db2.gz LQSUAQGHNGOZSB-VZLLUSIKSA-N 0 3 659.632 5.890 1 0 KKAFHN CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027998152 561894162 /nfs/dbraw/zinc/89/41/62/561894162.db2.gz ZAKTWWFGZWYSQC-XHTFZTLQSA-N 0 3 573.844 5.010 1 0 KKAFHN COc1ccc(-c2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)[nH]n2)cc1 ZINC000028008611 561896112 /nfs/dbraw/zinc/89/61/12/561896112.db2.gz ZZHYYHDLFCTNSX-LTXBTDFWSA-N 0 3 574.741 6.153 1 0 KKAFHN COc1ccc(-c2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)[nH]n2)cc1 ZINC000028008611 561896113 /nfs/dbraw/zinc/89/61/13/561896113.db2.gz ZZHYYHDLFCTNSX-LTXBTDFWSA-N 0 3 574.741 6.153 1 0 KKAFHN CC(C)(c1c[nH]nc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1 ZINC000028012888 561896756 /nfs/dbraw/zinc/89/67/56/561896756.db2.gz GHILCKDNBGGCIM-JUERCWOXSA-N 0 3 568.806 6.664 1 0 KKAFHN CC(C)(c1c[nH]nc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1 ZINC000028012888 561896757 /nfs/dbraw/zinc/89/67/57/561896757.db2.gz GHILCKDNBGGCIM-JUERCWOXSA-N 0 3 568.806 6.664 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028014522 561897194 /nfs/dbraw/zinc/89/71/94/561897194.db2.gz POOMWRWFJAPJOF-NRFANRHFSA-N 0 3 517.522 6.284 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3n[nH]cc3CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028018746 561898005 /nfs/dbraw/zinc/89/80/05/561898005.db2.gz CJYZOGUCFFILDE-VOTWKOMSSA-N 0 3 554.779 6.123 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3n[nH]cc3CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028018746 561898007 /nfs/dbraw/zinc/89/80/07/561898007.db2.gz CJYZOGUCFFILDE-VOTWKOMSSA-N 0 3 554.779 6.123 1 0 KKAFHN CC(=O)N1c2ccccc2S[C@@H]1c1cc(Cl)ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028022473 561898857 /nfs/dbraw/zinc/89/88/57/561898857.db2.gz HZANWEFMNDFKST-WJOKGBTCSA-N 0 3 549.136 7.251 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 ZINC000028090633 561899833 /nfs/dbraw/zinc/89/98/33/561899833.db2.gz ZQXTYFUVNQBWKC-OAQYLSRUSA-N 0 3 517.522 6.284 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cccc(N3CCNCC3)c2)cc1 ZINC000028100118 561901328 /nfs/dbraw/zinc/90/13/28/561901328.db2.gz JBIFABOLUMVXGZ-UHFFFAOYSA-N 0 3 546.458 5.970 1 0 KKAFHN CN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028128272 561905230 /nfs/dbraw/zinc/90/52/30/561905230.db2.gz ZXOCLNODMLUZQA-OFSOJUDTSA-N 0 3 547.721 5.139 1 0 KKAFHN CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136686 561906791 /nfs/dbraw/zinc/90/67/91/561906791.db2.gz SXVLTSDSQOWRHK-NSOVKSMOSA-N 0 3 569.190 5.308 1 0 KKAFHN CN(CCc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000028109991 561902925 /nfs/dbraw/zinc/90/29/25/561902925.db2.gz LRGAOOBYJCRZOE-YTTGMZPUSA-N 0 3 586.761 7.719 1 0 KKAFHN Cc1c(-c2ccc3ccccc3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028259182 561912000 /nfs/dbraw/zinc/91/20/00/561912000.db2.gz AFCPJYKILBIDSA-UHFFFAOYSA-N 0 3 540.614 5.035 1 0 KKAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCc3sccc3C)c2=O)c1F ZINC000028260571 561912024 /nfs/dbraw/zinc/91/20/24/561912024.db2.gz UOSJSHOYCNDHMM-KRWDZBQOSA-N 0 3 543.611 5.008 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235016 561909534 /nfs/dbraw/zinc/90/95/34/561909534.db2.gz FKXFKQBEFHBWQP-NPBSGPTKSA-N 0 3 542.686 6.769 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235016 561909536 /nfs/dbraw/zinc/90/95/36/561909536.db2.gz FKXFKQBEFHBWQP-NPBSGPTKSA-N 0 3 542.686 6.769 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CC[C@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234829 561909559 /nfs/dbraw/zinc/90/95/59/561909559.db2.gz NMMHDJMVQJIRJO-QGBBYCRPSA-N 0 3 540.695 5.502 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CC[C@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234829 561909561 /nfs/dbraw/zinc/90/95/61/561909561.db2.gz NMMHDJMVQJIRJO-QGBBYCRPSA-N 0 3 540.695 5.502 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 ZINC000028236985 561909921 /nfs/dbraw/zinc/90/99/21/561909921.db2.gz SXPVEQLLRJHNKT-SAPNQHFASA-N 0 3 507.678 5.739 1 0 KKAFHN CC(C)(C)c1cc(NC[C@@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000028366380 561917619 /nfs/dbraw/zinc/91/76/19/561917619.db2.gz MJMXIIYEHCGCCI-WJOKGBTCSA-N 0 3 607.830 7.268 1 0 KKAFHN CCOC(=O)Nc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1 ZINC000028372424 561918554 /nfs/dbraw/zinc/91/85/54/561918554.db2.gz BWWNTFMNRAJKPR-SANMLTNESA-N 0 3 617.678 5.704 1 0 KKAFHN CN(CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cc(Br)cc(Br)c1 ZINC000028389004 561921794 /nfs/dbraw/zinc/92/17/94/561921794.db2.gz AJILZZZNOGMEMD-UHFFFAOYSA-N 0 3 523.191 5.874 1 0 KKAFHN C[NH+](C)C1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028389515 561921903 /nfs/dbraw/zinc/92/19/03/561921903.db2.gz OIBIRLPEUOHWSH-UHFFFAOYSA-N 0 3 540.007 5.218 1 0 KKAFHN Cc1c(-c2csc(NCc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028390648 561922066 /nfs/dbraw/zinc/92/20/66/561922066.db2.gz ZKWZMMLVLFTSMN-VWLOTQADSA-N 0 3 559.642 5.081 1 0 KKAFHN COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1OC ZINC000028390062 561922071 /nfs/dbraw/zinc/92/20/71/561922071.db2.gz MZMVVTBQBJZMOD-DEOSSOPVSA-N 0 3 605.667 5.229 1 0 KKAFHN CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1c[nH]c2ccccc21 ZINC000028390801 561922237 /nfs/dbraw/zinc/92/22/37/561922237.db2.gz IHFBRYYYBVDFPB-WJOKGBTCSA-N 0 3 539.724 6.137 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3[C@@H]2N)CC1 ZINC000028464386 561926028 /nfs/dbraw/zinc/92/60/28/561926028.db2.gz MRFZKAWUCKFKJV-JBOQNHBVSA-N 0 3 607.239 5.343 1 0 KKAFHN CC(C)(C)c1ccc(NC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028476783 561928220 /nfs/dbraw/zinc/92/82/20/561928220.db2.gz SKFPWOHYDHHLKH-SSEXGKCCSA-N 0 3 518.790 7.095 1 0 KKAFHN COc1ccc([C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523053 561929852 /nfs/dbraw/zinc/92/98/52/561929852.db2.gz JOZOHPBCAIWMKA-VWLOTQADSA-N 0 3 504.597 5.527 1 0 KKAFHN COc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028523629 561930239 /nfs/dbraw/zinc/93/02/39/561930239.db2.gz PJECWHFRADOJNA-XMMPIXPASA-N 0 3 504.597 5.527 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523614 561930242 /nfs/dbraw/zinc/93/02/42/561930242.db2.gz OJLKWDKIHVBWDG-AARCXHMLSA-N 0 3 542.768 6.278 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523614 561930243 /nfs/dbraw/zinc/93/02/43/561930243.db2.gz OJLKWDKIHVBWDG-AARCXHMLSA-N 0 3 542.768 6.278 1 0 KKAFHN O=C(Nc1ccccc1NC(=O)c1ccc(Br)cc1)OCC1CCN(c2ccncc2)CC1 ZINC000028525747 561931635 /nfs/dbraw/zinc/93/16/35/561931635.db2.gz XFQGWDFMPJLCBW-UHFFFAOYSA-N 0 3 509.404 5.562 1 0 KKAFHN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCCC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000028528699 561933242 /nfs/dbraw/zinc/93/32/42/561933242.db2.gz GWBCSGBBSHCUOR-UHFFFAOYSA-N 0 3 712.376 6.350 1 0 KKAFHN Cc1cccc(-c2ccccc2)c1CCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646357 561945155 /nfs/dbraw/zinc/94/51/55/561945155.db2.gz JBXYADWMJLOTTL-DHUJRADRSA-N 0 3 542.787 6.119 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646315 561945170 /nfs/dbraw/zinc/94/51/70/561945170.db2.gz PHGQDMRWYCPIEF-UMSFTDKQSA-N 0 3 528.760 5.810 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(N(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646430 561945307 /nfs/dbraw/zinc/94/53/07/561945307.db2.gz QAHPGFWCLSTEMJ-BHVANESWSA-N 0 3 571.829 5.876 1 0 KKAFHN COc1ccc(-c2ccccc2CCCN2CCN(C[C@H](c3ccc(F)cc3)N3CCN(C(C)C)CC3)CC2)cc1 ZINC000028646397 561945366 /nfs/dbraw/zinc/94/53/66/561945366.db2.gz NCDIILRSQNVCDL-PGUFJCEWSA-N 0 3 558.786 5.819 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646159 561944685 /nfs/dbraw/zinc/94/46/85/561944685.db2.gz UESNQFLPADGGQE-MGBGTMOVSA-N 0 3 516.749 5.687 1 0 KKAFHN Fc1ccc([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028646174 561944818 /nfs/dbraw/zinc/94/48/18/561944818.db2.gz KNBPAEKLDLQFCP-PSXMRANNSA-N 0 3 550.766 6.483 1 0 KKAFHN CS(=O)(=O)[C@H]1CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000028710038 561950859 /nfs/dbraw/zinc/95/08/59/561950859.db2.gz XTQWBGVHINEJTO-MHZLTWQESA-N 0 3 521.679 6.183 1 0 KKAFHN CC(C)(C)C(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702803 561947330 /nfs/dbraw/zinc/94/73/30/561947330.db2.gz GXGLYUCMSMBLFQ-VWLOTQADSA-N 0 3 654.721 7.835 1 0 KKAFHN CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702838 561947487 /nfs/dbraw/zinc/94/74/87/561947487.db2.gz PQJGXJKQGVLLQQ-VWLOTQADSA-N 0 3 670.720 8.197 1 0 KKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704247 561948540 /nfs/dbraw/zinc/94/85/40/561948540.db2.gz RSPHCRBPUSTDAH-MHZLTWQESA-N 0 3 568.139 5.631 1 0 KKAFHN COc1cccc(-c2ccc(CN3CCC4(CC3)C(=O)N(c3cccc(OC)c3)C(=O)N4Cc3ccccc3F)cc2)c1 ZINC000028704526 561948711 /nfs/dbraw/zinc/94/87/11/561948711.db2.gz YPWCWAUPZNYIAK-UHFFFAOYSA-N 0 3 579.672 6.514 1 0 KKAFHN CCNCc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1OC ZINC000028758661 561957381 /nfs/dbraw/zinc/95/73/81/561957381.db2.gz FIOVEPSFQNCRNF-UHFFFAOYSA-N 0 3 561.568 6.208 1 0 KKAFHN Cc1ccc2c(c1)N(c1ccc(NC(=O)[C@@H](N)C(C)C)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711875 561952414 /nfs/dbraw/zinc/95/24/14/561952414.db2.gz HZDXXQUJKUTOOT-PMERELPUSA-N 0 3 537.708 6.975 1 0 KKAFHN COCCN1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711920 561952437 /nfs/dbraw/zinc/95/24/37/561952437.db2.gz BEASFCMYLAUGDO-JOCHJYFZSA-N 0 3 502.058 6.051 1 0 KKAFHN CCCN1C[C@@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@@H]2C1 ZINC000028713127 561953731 /nfs/dbraw/zinc/95/37/31/561953731.db2.gz PWXYVVOGSGGNIT-MJGOQNOKSA-N 0 3 510.874 6.092 1 0 KKAFHN CCN1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028713636 561954107 /nfs/dbraw/zinc/95/41/07/561954107.db2.gz CIBAYWPDYJITNN-LJQANCHMSA-N 0 3 526.002 7.135 1 0 KKAFHN CCN(CC)Cc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028759455 561957611 /nfs/dbraw/zinc/95/76/11/561957611.db2.gz GQKXOJRQOKAXGZ-UHFFFAOYSA-N 0 3 500.434 6.306 1 0 KKAFHN CN(CCCN(C)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000028772228 561961659 /nfs/dbraw/zinc/96/16/59/561961659.db2.gz JCKMBTJHPDQUEA-UHFFFAOYSA-N 0 3 628.685 5.631 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCCC[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)c2ccccc2)cc1 ZINC000028816372 561964015 /nfs/dbraw/zinc/96/40/15/561964015.db2.gz QHAZNMQKEAZESL-KXQOOQHDSA-N 0 3 588.836 8.093 1 0 KKAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817305 561964667 /nfs/dbraw/zinc/96/46/67/561964667.db2.gz KTRQMFTUNYZEES-BMPTZRATSA-N 0 3 685.878 5.196 1 0 KKAFHN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C[C@@H]4CCCO4)ccn32)n1)c1ccccc1 ZINC000028822152 561966691 /nfs/dbraw/zinc/96/66/91/561966691.db2.gz GTWJLVCVJTUVNI-CUNXSJBXSA-N 0 3 536.655 6.381 1 0 KKAFHN C[C@H](NCCCCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824130 561968976 /nfs/dbraw/zinc/96/89/76/561968976.db2.gz QTZHZSUFNWXXCM-QHCPKHFHSA-N 0 3 548.131 6.627 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 ZINC000028825775 561970914 /nfs/dbraw/zinc/97/09/14/561970914.db2.gz GWQJQMUYAJRYAV-AHWVRZQESA-N 0 3 565.080 5.287 1 0 KKAFHN CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827058 561971510 /nfs/dbraw/zinc/97/15/10/561971510.db2.gz BDKKUJXOTBQXCJ-DCRXXXBUSA-N 0 3 578.606 5.669 1 0 KKAFHN Cc1ccc(CN2CCc3c(c(=O)n(C[C@@H]4CCCCN4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864194 561972857 /nfs/dbraw/zinc/97/28/57/561972857.db2.gz ISNGXRPSKCDGJO-LJAQVGFWSA-N 0 3 598.738 5.566 1 0 KKAFHN O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCN(C[C@@H]3CCCN3Cc3ccccn3)C1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973142 /nfs/dbraw/zinc/97/31/42/561973142.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 0 3 689.251 5.320 1 0 KKAFHN COc1ccccc1N1CCN(CCc2cccc(OCCCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873139 561974731 /nfs/dbraw/zinc/97/47/31/561974731.db2.gz ZLPMBEZUOFMVBR-UHFFFAOYSA-N 0 3 706.972 7.451 1 0 KKAFHN O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000028879326 561976280 /nfs/dbraw/zinc/97/62/80/561976280.db2.gz OQRTUCNCZGBLPM-VMPREFPWSA-N 0 3 622.178 6.522 1 0 KKAFHN O=C(c1cc2c3ccccc3n(C[C@@H]3CCNC[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCN(C2CC2)CC1 ZINC000028889720 561978175 /nfs/dbraw/zinc/97/81/75/561978175.db2.gz DRSNERFYQQUTOQ-RBTNQOKQSA-N 0 3 561.101 6.108 1 0 KKAFHN CN(C)Cc1ccccc1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000029037690 561988738 /nfs/dbraw/zinc/98/87/38/561988738.db2.gz FTBGPPODBGKCHE-UHFFFAOYSA-N 0 3 537.517 5.908 1 0 KKAFHN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3CN3CC[C@H](O)C3)cc2)cc1 ZINC000029037704 561988747 /nfs/dbraw/zinc/98/87/47/561988747.db2.gz MHMSYXOVNQSRJW-DEOSSOPVSA-N 0 3 535.566 5.559 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039280 561989589 /nfs/dbraw/zinc/98/95/89/561989589.db2.gz ZYRXNZKDSLPAJL-SGNDLWITSA-N 0 3 540.095 6.200 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C(=O)OC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039338 561989730 /nfs/dbraw/zinc/98/97/30/561989730.db2.gz SQWVOXOCDCWIEB-AOHZBQACSA-N 0 3 538.010 5.010 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039324 561989733 /nfs/dbraw/zinc/98/97/33/561989733.db2.gz DIPQOIDSXYFTQU-VXNXHJTFSA-N 0 3 524.027 5.484 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039322 561989771 /nfs/dbraw/zinc/98/97/71/561989771.db2.gz DIPQOIDSXYFTQU-SGNDLWITSA-N 0 3 524.027 5.484 1 0 KKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc4ncccc43)ccc21 ZINC000029048642 561993726 /nfs/dbraw/zinc/99/37/26/561993726.db2.gz VPSMDKQMHASJCM-DIBXZPPDSA-N 0 3 503.606 5.687 1 0 KKAFHN CN(C)CCNC(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125596 561997859 /nfs/dbraw/zinc/99/78/59/561997859.db2.gz PRCLJYOAKPONJM-SSEXGKCCSA-N 0 3 701.242 5.160 1 0 KKAFHN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC000029125853 561998070 /nfs/dbraw/zinc/99/80/70/561998070.db2.gz SJXPIAWTWLDZLQ-HHHXNRCGSA-N 0 3 531.578 5.646 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)/C=C/c4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130307 562002430 /nfs/dbraw/zinc/00/24/30/562002430.db2.gz OWHHSAFAYNBMOB-XNTDXEJSSA-N 0 3 594.658 6.969 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)Cc4cc(F)cc(F)c4)cc3oc2=O)cc1 ZINC000029131587 562003199 /nfs/dbraw/zinc/00/31/99/562003199.db2.gz GRPPZHNSLSWJDA-UHFFFAOYSA-N 0 3 582.647 6.498 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000029213486 562006167 /nfs/dbraw/zinc/00/61/67/562006167.db2.gz TWFDBVKIWAXYPQ-LHEWISCISA-N 0 3 672.830 5.898 1 0 KKAFHN COc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029337947 562014605 /nfs/dbraw/zinc/01/46/05/562014605.db2.gz UEDGMQJSXUGZAH-QHCPKHFHSA-N 0 3 517.482 5.412 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 ZINC000029343722 562015832 /nfs/dbraw/zinc/01/58/32/562015832.db2.gz QXIZXTUHGDAAEB-SCNPBXAQSA-N 0 3 695.949 5.797 1 0 KKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389947 562017183 /nfs/dbraw/zinc/01/71/83/562017183.db2.gz CVMHORUIZZDBSL-GKQHHHCTSA-N 0 3 575.577 6.021 1 0 KKAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000029466604 562024496 /nfs/dbraw/zinc/02/44/96/562024496.db2.gz DGDQFYDLHSUEFE-UHFFFAOYSA-N 0 3 695.349 6.056 1 0 KKAFHN CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029472958 562025983 /nfs/dbraw/zinc/02/59/83/562025983.db2.gz NDNGGBBKCQHYHL-UHFFFAOYSA-N 0 3 543.133 7.348 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C ZINC000029481822 562027482 /nfs/dbraw/zinc/02/74/82/562027482.db2.gz IDOBPYXTEVHMLB-HEVIKAOCSA-N 0 3 584.805 5.050 1 0 KKAFHN CC(=O)O[C@@H](CSc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029565834 562034282 /nfs/dbraw/zinc/03/42/82/562034282.db2.gz RBGYRZGPRRMUNF-GDLZYMKVSA-N 0 3 538.704 6.219 1 0 KKAFHN O=C(OCCCN1CCN(c2ccccc2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000033865156 562037691 /nfs/dbraw/zinc/03/76/91/562037691.db2.gz RXQQIVAQBYVVOR-UHFFFAOYSA-N 0 3 501.030 6.001 1 0 KKAFHN Cc1ccc(-c2nn(CCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c3ccccc32)cc1 ZINC000034801012 562041076 /nfs/dbraw/zinc/04/10/76/562041076.db2.gz IUCZRZCSCXMIJH-UHFFFAOYSA-N 0 3 510.682 5.762 1 0 KKAFHN CCCCCc1ccc(C(=O)N(CCN2CCC(CCCc3ccccc3)CC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802993 562042324 /nfs/dbraw/zinc/04/23/24/562042324.db2.gz GUOMHZSOLKHKJV-UHFFFAOYSA-N 0 3 630.873 9.192 1 0 KKAFHN CCOC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000036107789 562047362 /nfs/dbraw/zinc/04/73/62/562047362.db2.gz BLZCKCKQDXOKBR-UHFFFAOYSA-N 0 3 509.593 5.559 1 0 KKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccccc2Cl)cc1C ZINC000035985869 562046065 /nfs/dbraw/zinc/04/60/65/562046065.db2.gz NXLQWOFWVPUYTQ-UHFFFAOYSA-N 0 3 507.034 6.219 1 0 KKAFHN CCN(CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3CN2C)CC1 ZINC000036284698 562053366 /nfs/dbraw/zinc/05/33/66/562053366.db2.gz CXNCKVKDTNIURI-OUYGKKDFSA-N 0 3 634.240 5.311 1 0 KKAFHN O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CC2CCCCC2)CC2CCCCC2)CC1 ZINC000036284839 562053531 /nfs/dbraw/zinc/05/35/31/562053531.db2.gz DOYFFOORPOMQKB-MSEJLTFDSA-N 0 3 633.321 7.248 1 0 KKAFHN CC(C)CC(CC(C)C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036285045 562053749 /nfs/dbraw/zinc/05/37/49/562053749.db2.gz YZKIIYBZAZLMCC-POURPWNDSA-N 0 3 553.191 5.399 1 0 KKAFHN COc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1F ZINC000036285786 562054484 /nfs/dbraw/zinc/05/44/84/562054484.db2.gz DBWFLNVXJGCWNG-MBSDFSHPSA-N 0 3 509.588 5.426 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285822 562054488 /nfs/dbraw/zinc/05/44/88/562054488.db2.gz LHBCSPYLZWEXEG-SBUREZEXSA-N 0 3 530.462 6.586 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000036285845 562054559 /nfs/dbraw/zinc/05/45/59/562054559.db2.gz JANYTVCLBAOBNQ-NRFANRHFSA-N 0 3 518.407 5.786 1 0 KKAFHN CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC000036285746 562054564 /nfs/dbraw/zinc/05/45/64/562054564.db2.gz USLNHTRUXIZORR-VGSWGCGISA-N 0 3 512.016 5.638 1 0 KKAFHN COc1cc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)ccc1Cl ZINC000036285758 562054566 /nfs/dbraw/zinc/05/45/66/562054566.db2.gz YIUVYPLGMPCBAC-JPYJTQIMSA-N 0 3 526.043 5.941 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036285896 562054568 /nfs/dbraw/zinc/05/45/68/562054568.db2.gz SQEAQRQNAZSYNN-MBSDFSHPSA-N 0 3 524.027 5.962 1 0 KKAFHN CN(C[C@H](CCN1CC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322401 562055251 /nfs/dbraw/zinc/05/52/51/562055251.db2.gz FPXIRXAXVYUYRD-GOTSBHOMSA-N 0 3 537.491 6.242 1 0 KKAFHN Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)cc1 ZINC000036338857 562057465 /nfs/dbraw/zinc/05/74/65/562057465.db2.gz DNQBBKLYBVCDBY-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1ccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)cc1 ZINC000036338857 562057467 /nfs/dbraw/zinc/05/74/67/562057467.db2.gz DNQBBKLYBVCDBY-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1cccc(NC(=O)N(CCC(C)C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338859 562057499 /nfs/dbraw/zinc/05/74/99/562057499.db2.gz WMNVNRZPBVAORA-UHFFFAOYSA-N 0 3 582.818 6.845 1 0 KKAFHN Cc1cccc(NC(=O)N(CCC(C)C)Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338859 562057500 /nfs/dbraw/zinc/05/75/00/562057500.db2.gz WMNVNRZPBVAORA-UHFFFAOYSA-N 0 3 582.818 6.845 1 0 KKAFHN CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000036349324 562057952 /nfs/dbraw/zinc/05/79/52/562057952.db2.gz VULRFDUFJCQCEM-NSOVKSMOSA-N 0 3 537.745 5.240 1 0 KKAFHN COc1cc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 ZINC000036349239 562057976 /nfs/dbraw/zinc/05/79/76/562057976.db2.gz QXQQKOSVXWTDCN-WJOKGBTCSA-N 0 3 605.743 5.229 1 0 KKAFHN CCCCN1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351500 562058551 /nfs/dbraw/zinc/05/85/51/562058551.db2.gz UTAPFVCSIYSFAD-FTJBHMTQSA-N 0 3 530.635 5.445 1 0 KKAFHN CC(C)C(=O)Nc1ccc2c(c1)C[C@H](N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351892 562059310 /nfs/dbraw/zinc/05/93/10/562059310.db2.gz KROXLQNVMVQKIP-RUZDIDTESA-N 0 3 544.115 5.103 1 0 KKAFHN COc1ccc([C@H]2Sc3cc(OC)ccc3[C@@H]2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000036419244 562060660 /nfs/dbraw/zinc/06/06/60/562060660.db2.gz WTPPRQIORFGZOV-PQHLKRTFSA-N 0 3 503.664 6.382 1 0 KKAFHN CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000036748745 562061175 /nfs/dbraw/zinc/06/11/75/562061175.db2.gz HFEFFYLNWHUHTO-DHUJRADRSA-N 0 3 639.789 7.891 1 0 KKAFHN CN1CCN(CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000037858550 562062109 /nfs/dbraw/zinc/06/21/09/562062109.db2.gz VWJBBKPEYUUTPI-UHFFFAOYSA-N 0 3 710.970 7.675 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN[C@H]5C2)CCN1C ZINC000038147449 562065627 /nfs/dbraw/zinc/06/56/27/562065627.db2.gz DJAWTLHBPPQMPV-RRPNLBNLSA-N 0 3 562.666 6.909 3 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)CN(C)C4 ZINC000038147452 562065640 /nfs/dbraw/zinc/06/56/40/562065640.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 0 3 608.735 6.859 1 0 KKAFHN COC[C@H]1CCCN1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2o1 ZINC000038149682 562066163 /nfs/dbraw/zinc/06/61/63/562066163.db2.gz MTAKKFFTZMEHRX-OAQYLSRUSA-N 0 3 506.027 6.125 1 0 KKAFHN O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)CC1 ZINC000040401218 562074563 /nfs/dbraw/zinc/07/45/63/562074563.db2.gz MEMBYPTWDIQOBS-UHFFFAOYSA-N 0 3 508.924 5.658 1 0 KKAFHN CCc1ccnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000038998461 562072723 /nfs/dbraw/zinc/07/27/23/562072723.db2.gz YDNCUOPJVVQEMT-MFMCTBQISA-N 0 3 604.673 5.435 1 0 in-vitro KKAFHN CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCCN(C(C)C)CC1 ZINC000040420193 562075656 /nfs/dbraw/zinc/07/56/56/562075656.db2.gz FEDGBRFVHIFPHZ-UHFFFAOYSA-N 0 3 516.473 5.703 1 0 KKAFHN COC(=O)[C@](CCCN1CCN(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040875569 562082170 /nfs/dbraw/zinc/08/21/70/562082170.db2.gz LJRBNBCTAYVKFU-SANMLTNESA-N 0 3 503.481 5.127 1 0 KKAFHN Cc1ccc(Sc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C ZINC000040617098 562078568 /nfs/dbraw/zinc/07/85/68/562078568.db2.gz ZJUCJJGRDRDRFU-UHFFFAOYSA-N 0 3 501.696 5.852 1 0 KKAFHN O=C1N(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1C1CCCC1 ZINC000040617370 562078571 /nfs/dbraw/zinc/07/85/71/562078571.db2.gz BLLJPNCXGWDQCM-UHFFFAOYSA-N 0 3 509.069 6.283 1 0 KKAFHN Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1 ZINC000040898667 562083288 /nfs/dbraw/zinc/08/32/88/562083288.db2.gz PAMZGVTZBVUZBF-SANMLTNESA-N 0 3 501.552 6.585 1 0 KKAFHN CC(C)[C@H]1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 ZINC000042804672 562088942 /nfs/dbraw/zinc/08/89/42/562088942.db2.gz PKXKCWSYPLCFKQ-PMERELPUSA-N 0 3 550.707 5.631 1 0 KKAFHN Cc1cc(C)n(C[C@H](NC(=O)NC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccccc2)n1 ZINC000043021940 562644923 /nfs/dbraw/zinc/64/49/23/562644923.db2.gz LCXRMOKMNODMLL-LJAQVGFWSA-N 0 3 564.656 6.015 1 0 KKAFHN CCCC[C@@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1 ZINC000043071040 562645558 /nfs/dbraw/zinc/64/55/58/562645558.db2.gz ORCCEUNUHQADKD-AREMUKBSSA-N 0 3 528.619 5.834 1 0 KKAFHN COCCc1ccc(Cl)c(CN(CC2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 ZINC000043152044 562646370 /nfs/dbraw/zinc/64/63/70/562646370.db2.gz BTTNGIRQOWEUTJ-AREMUKBSSA-N 0 3 634.044 7.158 1 0 KKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4ccc(F)c5c(OC)cc(C(F)(F)F)nc45)CC3)CC2)c1 ZINC000043206372 562647043 /nfs/dbraw/zinc/64/70/43/562647043.db2.gz SZPYUJIVXAFIMH-UHFFFAOYSA-N 0 3 569.603 5.749 1 0 KKAFHN CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000044117686 562652351 /nfs/dbraw/zinc/65/23/51/562652351.db2.gz MOSIRVPMEDLWCZ-MXTSBSQWSA-N 0 3 583.729 5.021 1 0 KKAFHN COc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000044306327 562653698 /nfs/dbraw/zinc/65/36/98/562653698.db2.gz JLQPVVYLBVGTJX-UHFFFAOYSA-N 0 3 569.669 5.825 1 0 KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CC[C@@H](C)N3CC(C)C)ncn2)s1 ZINC000044352522 562655174 /nfs/dbraw/zinc/65/51/74/562655174.db2.gz QSMKDSHSYVNTOC-HXOBKFHXSA-N 0 3 612.678 6.970 1 0 KKAFHN CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC2CC2)CC2CC2)CC1 ZINC000044358361 562655319 /nfs/dbraw/zinc/65/53/19/562655319.db2.gz BOJAUQCIFHEPGT-JSOSNVBQSA-N 0 3 572.621 6.455 1 0 KKAFHN CCN(CCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388006 562656253 /nfs/dbraw/zinc/65/62/53/562656253.db2.gz INUMVYWXFUFMTG-UHFFFAOYSA-N 0 3 540.133 5.210 1 0 KKAFHN CCN(CCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388337 562656325 /nfs/dbraw/zinc/65/63/25/562656325.db2.gz RNXDTZUOYPAGOH-UHFFFAOYSA-N 0 3 554.160 5.600 1 0 KKAFHN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000045167748 562658110 /nfs/dbraw/zinc/65/81/10/562658110.db2.gz FACGAOZDXJTYSK-UHFFFAOYSA-N 0 3 506.437 6.508 1 0 KKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045193371 562658674 /nfs/dbraw/zinc/65/86/74/562658674.db2.gz RCOGEQWOFOMWGG-SSEXGKCCSA-N 0 3 517.739 6.037 1 0 KKAFHN Cc1cc(C(=O)Nc2ccc3c(ccn3[C@H]3CCCN(Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192989 562658677 /nfs/dbraw/zinc/65/86/77/562658677.db2.gz REMGAUDCEZSMLC-QFIPXVFZSA-N 0 3 514.523 6.575 1 0 KKAFHN COc1cccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)c1 ZINC000045193951 562658775 /nfs/dbraw/zinc/65/87/75/562658775.db2.gz BYINPTKLHJRKRJ-UHFFFAOYSA-N 0 3 505.662 6.322 1 0 KKAFHN C[C@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045227661 562659442 /nfs/dbraw/zinc/65/94/42/562659442.db2.gz ZOXQYQOWAXKIKN-LJQANCHMSA-N 0 3 521.587 5.738 1 0 KKAFHN C[C@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045227661 562659443 /nfs/dbraw/zinc/65/94/43/562659443.db2.gz ZOXQYQOWAXKIKN-LJQANCHMSA-N 0 3 521.587 5.738 1 0 KKAFHN CCNc1nc2cc(C)ccc2c(NCc2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000045245712 562659757 /nfs/dbraw/zinc/65/97/57/562659757.db2.gz SKBSBBCMYNRFHX-UHFFFAOYSA-N 0 3 508.670 5.833 1 0 KKAFHN CN(C)CCC1CCN(CCS(=O)(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045303104 562660774 /nfs/dbraw/zinc/66/07/74/562660774.db2.gz XDVPZVUMZAKKFV-UHFFFAOYSA-N 0 3 510.679 5.069 1 0 KKAFHN C[C@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045322593 562661103 /nfs/dbraw/zinc/66/11/03/562661103.db2.gz QFNWXBCCKJYIFU-LJQANCHMSA-N 0 3 521.587 5.738 1 0 KKAFHN C[C@H](CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045322593 562661104 /nfs/dbraw/zinc/66/11/04/562661104.db2.gz QFNWXBCCKJYIFU-LJQANCHMSA-N 0 3 521.587 5.738 1 0 KKAFHN COc1cccc(CCc2nc3c(cccc3N3CCC(Cc4ccccc4)CC3)n2C[C@@H]2CNCCO2)c1 ZINC000045338627 562661516 /nfs/dbraw/zinc/66/15/16/562661516.db2.gz BZELXZGNHMKBEU-LJAQVGFWSA-N 0 3 524.709 5.278 1 0 KKAFHN COc1cccc(CCc2nc3c(cccc3N3CCC(Cc4ccccc4)CC3)n2C[C@H]2CNCCO2)c1 ZINC000045338629 562661538 /nfs/dbraw/zinc/66/15/38/562661538.db2.gz BZELXZGNHMKBEU-GDLZYMKVSA-N 0 3 524.709 5.278 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4c(c5cc(C(F)(F)F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000045495500 562662629 /nfs/dbraw/zinc/66/26/29/562662629.db2.gz AHPVBZRCJFTJRY-KZNIJNHCSA-N 0 3 522.567 5.011 1 0 KKAFHN O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 ZINC000045484692 562662641 /nfs/dbraw/zinc/66/26/41/562662641.db2.gz CKUGQYKWEJWUKL-UHFFFAOYSA-N 0 3 519.593 5.275 1 0 KKAFHN CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049034127 562663454 /nfs/dbraw/zinc/66/34/54/562663454.db2.gz UCDXFDZZQRBDBU-MUUNZHRXSA-N 0 3 523.762 6.334 1 0 KKAFHN [O-]c1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2cc(F)ccc21 ZINC000049036668 562663598 /nfs/dbraw/zinc/66/35/98/562663598.db2.gz KLRGEDJTDSUZSF-WJOKGBTCSA-N 0 3 501.598 6.613 1 0 KKAFHN c1ccc2c(c1)nc1c(c2NCCCCCCNc2c3cccnc3nc3c2CCCCC3)CCCCC1 ZINC000049036774 562663600 /nfs/dbraw/zinc/66/36/00/562663600.db2.gz CUNSKXFDFJIUPQ-UHFFFAOYSA-N 0 3 507.726 7.800 1 0 KKAFHN Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)nc1NCc1c(Cl)cccc1Cl ZINC000049068484 562664037 /nfs/dbraw/zinc/66/40/37/562664037.db2.gz PVBCEWZVPUKFNT-FQEVSTJZSA-N 0 3 525.484 5.345 1 0 KKAFHN Cc1cc2nc(-c3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3F)[nH]c2cc1Cl ZINC000049605122 562665407 /nfs/dbraw/zinc/66/54/07/562665407.db2.gz NIQAEKHMTXZQNH-UHFFFAOYSA-N 0 3 540.470 5.926 1 0 KKAFHN CN1CCN(CCCN(Cc2ccc(-c3cccc(CNCc4ccc5c(c4)OCO5)c3)cc2)C(=O)NCCc2ccccc2)CC1 ZINC000049605223 562665494 /nfs/dbraw/zinc/66/54/94/562665494.db2.gz LBEHFDNFSHZKNM-UHFFFAOYSA-N 0 3 633.837 5.764 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)ccc1F ZINC000049605266 562665657 /nfs/dbraw/zinc/66/56/57/562665657.db2.gz WKKCEZHXTXWWMS-UHFFFAOYSA-N 0 3 676.730 7.516 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000049605434 562665853 /nfs/dbraw/zinc/66/58/53/562665853.db2.gz LWFMUAXAOAOMSD-UHFFFAOYSA-N 0 3 624.276 5.582 1 0 KKAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccncc2)ccc1OCCN1CCCC1 ZINC000049605495 562665962 /nfs/dbraw/zinc/66/59/62/562665962.db2.gz DBRFPRJECOZCQM-UHFFFAOYSA-N 0 3 577.106 6.451 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 ZINC000049615364 562666613 /nfs/dbraw/zinc/66/66/13/562666613.db2.gz QMOQJOJQHDGNAC-UHFFFAOYSA-N 0 3 728.757 7.191 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049615798 562666726 /nfs/dbraw/zinc/66/67/26/562666726.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 0 3 686.827 6.492 1 0 KKAFHN O=C(N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049626133 562667020 /nfs/dbraw/zinc/66/70/20/562667020.db2.gz YERIGEPLSXHGGE-DEOSSOPVSA-N 0 3 572.964 6.695 1 0 KKAFHN CN1CCC[C@H](COc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049626237 562667103 /nfs/dbraw/zinc/66/71/03/562667103.db2.gz ZFHWQEUJIOCMOL-SFHVURJKSA-N 0 3 555.904 6.480 1 0 KKAFHN COC(=O)c1ccc(NC(=O)c2ccc(CCN3CCC(c4nc(COCC(F)(F)F)c(-c5ccc(F)cc5)o4)CC3)cc2)cc1 ZINC000049626607 562667275 /nfs/dbraw/zinc/66/72/75/562667275.db2.gz VOJHWEVUAFFUQX-UHFFFAOYSA-N 0 3 639.646 7.021 1 0 KKAFHN O=C(CCc1cccc(O)c1)NC[C@@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049626815 562667379 /nfs/dbraw/zinc/66/73/79/562667379.db2.gz SLAFDJAMGDMAFA-AREMUKBSSA-N 0 3 642.392 5.641 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccsc2c(=O)nc1CCc1cccc(F)c1F ZINC000049626958 562667442 /nfs/dbraw/zinc/66/74/42/562667442.db2.gz BFNMEBUQFVWIKH-UHFFFAOYSA-N 0 3 682.759 7.578 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc([C@@H](C)O)c2)c1 ZINC000049650247 562668062 /nfs/dbraw/zinc/66/80/62/562668062.db2.gz IXJVBGCZQGVESS-LLPXPGLDSA-N 0 3 649.710 5.149 1 0 KKAFHN CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[C@@](C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049677998 562668444 /nfs/dbraw/zinc/66/84/44/562668444.db2.gz XNEWLEJBYAVWCK-NDEPHWFRSA-N 0 3 602.500 6.545 1 0 KKAFHN Cc1ccc2c(c1)nc(N1CCN(C)CC1)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000049680007 562669070 /nfs/dbraw/zinc/66/90/70/562669070.db2.gz HNYXJJXAZKNSEF-UHFFFAOYSA-N 0 3 563.750 5.153 1 0 KKAFHN CC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](C)c4ccccc4)nn3)nn2)nn1 ZINC000049694853 562669836 /nfs/dbraw/zinc/66/98/36/562669836.db2.gz GZEUUNLHCQFCOC-GTAPEUFRSA-N 0 3 586.748 5.390 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cc(F)cc(F)c3)CCO2)CC1 ZINC000049710571 562671744 /nfs/dbraw/zinc/67/17/44/562671744.db2.gz IZFKBRJLUQFVJC-JGCGQSQUSA-N 0 3 616.536 7.044 1 0 KKAFHN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710912 562671847 /nfs/dbraw/zinc/67/18/47/562671847.db2.gz WZXINJTXKIEZPD-BVSLBCMMSA-N 0 3 572.364 6.586 1 0 KKAFHN CCOc1c(OC)ccc2c1CCN(CCN1CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4C(F)(F)F)cc3)CC1)C2 ZINC000049722555 562672166 /nfs/dbraw/zinc/67/21/66/562672166.db2.gz YTPDUUACUCTLFN-UHFFFAOYSA-N 0 3 649.676 7.051 1 0 KKAFHN C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722692 562672376 /nfs/dbraw/zinc/67/23/76/562672376.db2.gz WMOFZJZCOQWBCG-NVQXNPDNSA-N 0 3 546.539 6.035 1 0 KKAFHN C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722692 562672377 /nfs/dbraw/zinc/67/23/77/562672377.db2.gz WMOFZJZCOQWBCG-NVQXNPDNSA-N 0 3 546.539 6.035 1 0 KKAFHN CC(C)c1ccc(NC(=O)N[C@@H]2CCN(CCCCCN(C)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049723006 562672832 /nfs/dbraw/zinc/67/28/32/562672832.db2.gz CLPJRMRZKPOGDZ-WCLOKENTSA-N 0 3 545.555 6.655 1 0 KKAFHN CC(C)c1ccc(N2CCN(CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000049723080 562672903 /nfs/dbraw/zinc/67/29/03/562672903.db2.gz YHLZINJOZADZRZ-UHFFFAOYSA-N 0 3 567.561 6.701 1 0 KKAFHN CC(C)c1ccc(C(=O)C[C@H](NCCCCCCCCN[C@@H](CC(=O)c2ccc(C(C)C)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746157 562674290 /nfs/dbraw/zinc/67/42/90/562674290.db2.gz PIQAJRNFDVDTPE-COCZKOEFSA-N 0 3 730.994 9.314 1 0 KKAFHN CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049746487 562674475 /nfs/dbraw/zinc/67/44/75/562674475.db2.gz WHGWQZZKOMMVQS-FNZWTVRRSA-N 0 3 536.975 7.185 1 0 KKAFHN CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2)CC1 ZINC000049746636 562674492 /nfs/dbraw/zinc/67/44/92/562674492.db2.gz KWBPGJDCYDKERW-RUZDIDTESA-N 0 3 556.128 6.127 1 0 KKAFHN COc1ccc(C(=O)C[C@@H](NCCCCCCCCN[C@H](CC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746746 562674594 /nfs/dbraw/zinc/67/45/94/562674594.db2.gz PZCAJRBMLAWARR-XPSQVAKYSA-N 0 3 706.884 7.084 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(OC)c1 ZINC000049756204 562674895 /nfs/dbraw/zinc/67/48/95/562674895.db2.gz UJBJAMOSBBJZBK-UHFFFAOYSA-N 0 3 570.719 5.684 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000049756671 562675180 /nfs/dbraw/zinc/67/51/80/562675180.db2.gz PIQNNSKBFMKWGB-UHFFFAOYSA-N 0 3 608.690 6.694 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1F ZINC000049756673 562675196 /nfs/dbraw/zinc/67/51/96/562675196.db2.gz WZTHBTBWYVSGPF-UHFFFAOYSA-N 0 3 593.128 6.468 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C)cc3)c1)CC2 ZINC000049756974 562675342 /nfs/dbraw/zinc/67/53/42/562675342.db2.gz DTWKZNGXUYBMLT-HKBQPEDESA-N 0 3 545.768 6.262 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3F)c2cc1OCCCN1CCN(C)CC1 ZINC000049757157 562675618 /nfs/dbraw/zinc/67/56/18/562675618.db2.gz IPIWNOAWKGRYOY-UHFFFAOYSA-N 0 3 558.683 5.814 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1 ZINC000049767263 562677509 /nfs/dbraw/zinc/67/75/09/562677509.db2.gz ZGTHJDQZGGIPLL-UHFFFAOYSA-N 0 3 575.138 6.328 1 0 KKAFHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000049775596 562679174 /nfs/dbraw/zinc/67/91/74/562679174.db2.gz LMZLCWZGOBCEDV-QHCPKHFHSA-N 0 3 533.628 5.222 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1cccs1 ZINC000049776357 562679441 /nfs/dbraw/zinc/67/94/41/562679441.db2.gz DJUGJHCIQRZZGU-RUZDIDTESA-N 0 3 657.702 6.200 1 0 KKAFHN Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2)cc1 ZINC000049777088 562679664 /nfs/dbraw/zinc/67/96/64/562679664.db2.gz OTCVPAOGBITYCE-LHEWISCISA-N 0 3 650.908 6.257 1 0 KKAFHN O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1 ZINC000049777276 562679867 /nfs/dbraw/zinc/67/98/67/562679867.db2.gz IFLAJVCAIZJOPG-HKBQPEDESA-N 0 3 616.872 5.496 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777426 562680056 /nfs/dbraw/zinc/68/00/56/562680056.db2.gz MYXKMTKFUPOTOZ-JGCGQSQUSA-N 0 3 630.899 5.804 1 0 KKAFHN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049777448 562680067 /nfs/dbraw/zinc/68/00/67/562680067.db2.gz OXNNHDABPVRMSB-KPKJPENVSA-N 0 3 571.471 6.552 1 0 KKAFHN O=C(Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1)Nc1cccnc1 ZINC000049777830 562680590 /nfs/dbraw/zinc/68/05/90/562680590.db2.gz NHQOSODHGLNYEK-UHFFFAOYSA-N 0 3 589.704 5.206 1 0 KKAFHN CN(CCCCCN1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049777956 562680700 /nfs/dbraw/zinc/68/07/00/562680700.db2.gz OTHBAGWCTBAQJP-LJZAYONRSA-N 0 3 595.571 7.324 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 ZINC000049778186 562681048 /nfs/dbraw/zinc/68/10/48/562681048.db2.gz WIZZKBPYASAOGT-SSEXGKCCSA-N 0 3 638.614 6.364 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778324 562681182 /nfs/dbraw/zinc/68/11/82/562681182.db2.gz YWSRNMSVJIDYNV-DLFZDVPBSA-N 0 3 723.544 8.948 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778322 562681194 /nfs/dbraw/zinc/68/11/94/562681194.db2.gz YWSRNMSVJIDYNV-JTSJOTPCSA-N 0 3 723.544 8.948 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCOC)c1 ZINC000049783739 562683206 /nfs/dbraw/zinc/68/32/06/562683206.db2.gz GURZVIGBGHQFAY-WJOKGBTCSA-N 0 3 671.706 7.226 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000049784077 562683450 /nfs/dbraw/zinc/68/34/50/562683450.db2.gz GZPYZOSKISZVND-RUZDIDTESA-N 0 3 633.060 7.249 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000049785031 562683878 /nfs/dbraw/zinc/68/38/78/562683878.db2.gz XDQLMSRLTKRTOW-RUZDIDTESA-N 0 3 649.059 6.488 1 0 KKAFHN CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5sccn54)n3)cc2)CC1 ZINC000049793536 562684940 /nfs/dbraw/zinc/68/49/40/562684940.db2.gz OPHRYHXTWRJEBA-UHFFFAOYSA-N 0 3 636.732 6.936 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccccc3)C(=O)O[C@@]21C ZINC000049803946 562686251 /nfs/dbraw/zinc/68/62/51/562686251.db2.gz JUNOMONXAJGBCY-IDIDBGRKSA-N 0 3 700.914 5.174 1 0 KKAFHN O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000049833415 562687771 /nfs/dbraw/zinc/68/77/71/562687771.db2.gz MFJHTTMHVKQDSM-LEAFIULHSA-N 0 3 643.593 5.525 1 0 KKAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCN3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000049833586 562687925 /nfs/dbraw/zinc/68/79/25/562687925.db2.gz FBIOXQLHIASGCT-UHFFFAOYSA-N 0 3 667.295 5.278 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCCCCC1 ZINC000049878534 562690689 /nfs/dbraw/zinc/69/06/89/562690689.db2.gz CFNBMDAXVAJPSE-ZCYQVOJMSA-N 0 3 540.717 6.402 1 0 KKAFHN COc1cc(CN2CCN([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)[C@H](Cc3ccccc3)C2)cc(OC)c1OC ZINC000049893063 562692254 /nfs/dbraw/zinc/69/22/54/562692254.db2.gz ONJMXWFIKVVLCT-SAIUNTKASA-N 0 3 702.736 8.437 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917559 562693597 /nfs/dbraw/zinc/69/35/97/562693597.db2.gz DPBDEJSHFAVZAV-RTWAWAEBSA-N 0 3 603.488 6.781 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@H](NC(=S)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917679 562693766 /nfs/dbraw/zinc/69/37/66/562693766.db2.gz AVGGLWCCZIZIFS-SANMLTNESA-N 0 3 603.641 6.225 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000049917756 562693856 /nfs/dbraw/zinc/69/38/56/562693856.db2.gz AKJSKQCLCCZDJM-SOFGYWHQSA-N 0 3 573.352 6.235 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917856 562694020 /nfs/dbraw/zinc/69/40/20/562694020.db2.gz DJGWKTWKRTXWLC-RTWAWAEBSA-N 0 3 619.943 7.295 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 ZINC000053007010 562696044 /nfs/dbraw/zinc/69/60/44/562696044.db2.gz QPJSKVVDVIYOKV-UHFFFAOYSA-N 0 3 515.629 5.496 1 0 KKAFHN CC1(NC(=O)Cc2ccc(F)cc2)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053296366 562697370 /nfs/dbraw/zinc/69/73/70/562697370.db2.gz RTWXWMWFFPNLRJ-MHZLTWQESA-N 0 3 511.657 5.306 1 0 KKAFHN Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000055646883 562697737 /nfs/dbraw/zinc/69/77/37/562697737.db2.gz GSRFNZQXYDIODH-DEIXXNFJSA-N 0 3 554.779 5.939 1 0 KKAFHN Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000055646883 562697738 /nfs/dbraw/zinc/69/77/38/562697738.db2.gz GSRFNZQXYDIODH-DEIXXNFJSA-N 0 3 554.779 5.939 1 0 KKAFHN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(C)c(C)c6c5)c4)CC3)CC2)CC1 ZINC000058548183 562699070 /nfs/dbraw/zinc/69/90/70/562699070.db2.gz LPALQJQUDYNDOK-UHFFFAOYSA-N 0 3 646.836 5.521 1 0 KKAFHN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)c(C)cn6C)c4)CC3)CC2)CC1 ZINC000058548537 562699125 /nfs/dbraw/zinc/69/91/25/562699125.db2.gz AMEKOLQDUVWTCP-UHFFFAOYSA-N 0 3 646.836 5.223 1 0 KKAFHN CS(=O)(=O)NCCCn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058582847 562699980 /nfs/dbraw/zinc/69/99/80/562699980.db2.gz LSAFCWIWFVDRJD-UHFFFAOYSA-N 0 3 695.113 5.668 1 0 KKAFHN O=C(NCCN1CCCCC1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058583387 562700081 /nfs/dbraw/zinc/70/00/81/562700081.db2.gz XLXRRMPJDHQGKQ-UHFFFAOYSA-N 0 3 523.468 5.531 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCC(F)(F)c3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058590460 562700324 /nfs/dbraw/zinc/70/03/24/562700324.db2.gz SBHVYCDQRFBRBW-UHFFFAOYSA-N 0 3 520.599 6.875 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000058592507 562700617 /nfs/dbraw/zinc/70/06/17/562700617.db2.gz MEKFOGAQHJRQIP-HSZRJFAPSA-N 0 3 635.032 6.696 1 0 KKAFHN CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687911 562702146 /nfs/dbraw/zinc/70/21/46/562702146.db2.gz AXZSTWFPHUHVFF-DNQXCXABSA-N 0 3 506.731 7.868 1 0 KKAFHN FC(F)(F)c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059796297 562702298 /nfs/dbraw/zinc/70/22/98/562702298.db2.gz ALLKBIANVUTXDD-KOBWGQNTSA-N 0 3 511.591 7.184 3 0 KKAFHN COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000059796435 562702382 /nfs/dbraw/zinc/70/23/82/562702382.db2.gz JTGKUZGKSYNODZ-FSOZDLKISA-N 0 3 500.642 6.557 3 0 KKAFHN COc1cc(CN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc(OC)c1 ZINC000061906410 562703082 /nfs/dbraw/zinc/70/30/82/562703082.db2.gz WXIIXROMGVLSQR-SSEXGKCCSA-N 0 3 513.613 5.509 3 0 KKAFHN O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923663 562703512 /nfs/dbraw/zinc/70/35/12/562703512.db2.gz CXQUFXAIHBRRMW-PVHODMMVSA-N 0 3 509.050 5.218 3 0 KKAFHN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)cc1 ZINC000064448391 562705499 /nfs/dbraw/zinc/70/54/99/562705499.db2.gz OKZWPEYBUNXJRT-VXKWHMMOSA-N 0 3 516.584 5.033 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc([C@]3(O)CCNC[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000064513765 562706456 /nfs/dbraw/zinc/70/64/56/562706456.db2.gz BUELDWWCLYPLID-LHXZUMEBSA-N 0 3 597.583 6.365 1 0 KKAFHN CCN(CCN(C)C)C(=O)c1cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)ccc1C ZINC000064548940 562707970 /nfs/dbraw/zinc/70/79/70/562707970.db2.gz KINJGGAJWKHPNT-UHFFFAOYSA-N 0 3 540.712 6.299 1 0 KKAFHN COc1ccc(C2(CCCN3CCc4cc(OCc5ccccc5)ccc4[C@@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064549896 562708173 /nfs/dbraw/zinc/70/81/73/562708173.db2.gz YACCVVUNICRPSW-HKBQPEDESA-N 0 3 531.693 5.872 1 0 KKAFHN CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3[C@@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559935 562708450 /nfs/dbraw/zinc/70/84/50/562708450.db2.gz KGQQZJWWWKYPSC-PMERELPUSA-N 0 3 519.657 6.002 1 0 KKAFHN COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593837 562708807 /nfs/dbraw/zinc/70/88/07/562708807.db2.gz VOTBTNSFNLURLT-OETVIHDQSA-N 0 3 568.639 7.576 3 0 KKAFHN CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)N2CCC[C@@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075873 562710048 /nfs/dbraw/zinc/71/00/48/562710048.db2.gz XPNVWCRSEYTHES-QJHFLPEYSA-N 0 3 602.687 5.171 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077231 562710298 /nfs/dbraw/zinc/71/02/98/562710298.db2.gz JRVSGBSKZMZOOC-XIFFEERXSA-N 0 3 646.898 5.470 1 0 KKAFHN Cc1nnc(-c2ccccc2)n1C1CCN(CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066080076 562710710 /nfs/dbraw/zinc/71/07/10/562710710.db2.gz MLBRLXKHSAHTOE-MHZLTWQESA-N 0 3 529.710 5.043 1 0 KKAFHN CCc1nc(Cc2ccccc2)cn1C1CCN(CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097307 562710783 /nfs/dbraw/zinc/71/07/83/562710783.db2.gz NVLXALPQAJFRPI-GDLZYMKVSA-N 0 3 556.776 5.826 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3cccnc3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066104366 562711732 /nfs/dbraw/zinc/71/17/32/562711732.db2.gz WKFMUOPTBLEHRE-QFIPXVFZSA-N 0 3 540.455 5.248 1 0 KKAFHN CC(C)NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000066123266 562712486 /nfs/dbraw/zinc/71/24/86/562712486.db2.gz KMAPDDXWMUJZRU-FQEVSTJZSA-N 0 3 552.597 6.019 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000066136525 562713151 /nfs/dbraw/zinc/71/31/51/562713151.db2.gz NAFLFKJXMLUGLF-MHPIHPPYSA-N 0 3 603.604 5.267 3 0 KKAFHN CSCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000068251030 562716272 /nfs/dbraw/zinc/71/62/72/562716272.db2.gz SVDARJHLGCNCRG-UHFFFAOYSA-N 0 3 549.071 7.458 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 ZINC000071317349 562718228 /nfs/dbraw/zinc/71/82/28/562718228.db2.gz VXCFNXWSONWJOA-GOSISDBHSA-N 0 3 594.461 6.952 1 0 KKAFHN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101895 562720255 /nfs/dbraw/zinc/72/02/55/562720255.db2.gz YGWPNWALTMWPRE-JOCHJYFZSA-N 0 3 508.466 5.498 1 0 KKAFHN C[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111343 562721931 /nfs/dbraw/zinc/72/19/31/562721931.db2.gz PJFNGAJTUJXYCG-GNMZEDAFSA-N 0 3 642.769 7.962 1 0 KKAFHN C[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112583 562722112 /nfs/dbraw/zinc/72/21/12/562722112.db2.gz CVQACAZVGMEGHZ-MBGPZUCASA-N 0 3 541.220 6.578 1 0 KKAFHN C[C@@H]1CN(Cc2cccnc2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112582 562722142 /nfs/dbraw/zinc/72/21/42/562722142.db2.gz BOTVTRFOBIZTJI-PNVPDAQQSA-N 0 3 507.763 5.319 1 0 KKAFHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118156 562723419 /nfs/dbraw/zinc/72/34/19/562723419.db2.gz KYIVTVHLBYHQGA-QLXKLKPCSA-N 0 3 560.542 7.556 1 0 KKAFHN CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c([O-])c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000072125929 562725276 /nfs/dbraw/zinc/72/52/76/562725276.db2.gz QEUMZRGQWVOUCP-FPHSBRQASA-N 0 3 546.546 5.176 1 0 KKAFHN CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c([O-])c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000072125929 562725275 /nfs/dbraw/zinc/72/52/75/562725275.db2.gz QEUMZRGQWVOUCP-FPHSBRQASA-N 0 3 546.546 5.176 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072127652 562725767 /nfs/dbraw/zinc/72/57/67/562725767.db2.gz HMCLAGFKTYIJCB-KECSPFHLSA-N 0 3 648.726 6.784 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138196 562728712 /nfs/dbraw/zinc/72/87/12/562728712.db2.gz JGXAZWMUHRDECC-ZLRJYYBNSA-N 0 3 525.693 5.335 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072141024 562729248 /nfs/dbraw/zinc/72/92/48/562729248.db2.gz GLCILIXBJHCTML-SPWOZAQASA-N 0 3 720.021 6.031 3 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCN(C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172006 562730554 /nfs/dbraw/zinc/73/05/54/562730554.db2.gz QQLMRUWZPSJDOW-HSZRJFAPSA-N 0 3 544.604 5.211 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(Cl)c2)c2ccc(Br)cc2)CC1 ZINC000073198193 562735627 /nfs/dbraw/zinc/73/56/27/562735627.db2.gz WOERJSXSTHFFHD-LJQANCHMSA-N 0 3 624.838 7.484 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccc(Cl)cc2)c2ccc(Br)cc2)CC1 ZINC000073198195 562735631 /nfs/dbraw/zinc/73/56/31/562735631.db2.gz NXCBLDPRJDFZIB-LJQANCHMSA-N 0 3 624.838 7.484 1 0 KKAFHN CC(C)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000073223135 562736430 /nfs/dbraw/zinc/73/64/30/562736430.db2.gz PTNCJTBBANMOLZ-BAURHKQJSA-N 0 3 506.090 5.846 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccc(Cl)cc4c3=O)CC2)c1 ZINC000073222741 562736442 /nfs/dbraw/zinc/73/64/42/562736442.db2.gz VKZMHFHAIRROAK-UHFFFAOYSA-N 0 3 549.502 6.598 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ccncc23)cc1 ZINC000073275033 562737262 /nfs/dbraw/zinc/73/72/62/562737262.db2.gz HQSUPEKUWPDHCM-QHCPKHFHSA-N 0 3 509.355 6.898 1 0 KKAFHN CN(C)CCN(Cc1ccccc1)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073291812 562737487 /nfs/dbraw/zinc/73/74/87/562737487.db2.gz WEURIKGHASMEEJ-RUZDIDTESA-N 0 3 513.469 5.362 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000073369118 562738367 /nfs/dbraw/zinc/73/83/67/562738367.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 0 3 606.719 6.874 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4cc(F)cc(F)c4F)c4ccccc4c3=O)CC2)c1 ZINC000073386625 562738532 /nfs/dbraw/zinc/73/85/32/562738532.db2.gz YSEMDDIGVSGXKZ-UHFFFAOYSA-N 0 3 534.582 5.709 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(F)cc4F)c4ccccc4c3=O)CC2)c1 ZINC000082158352 562741083 /nfs/dbraw/zinc/74/10/83/562741083.db2.gz KJAXXBXHUGSEDK-UHFFFAOYSA-N 0 3 516.592 5.570 1 0 KKAFHN O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1cc(=O)c2cc(O)ccc2o1 ZINC000084587128 562743496 /nfs/dbraw/zinc/74/34/96/562743496.db2.gz DULLYLROEIJODI-UHFFFAOYSA-N 0 3 576.137 7.542 1 0 KKAFHN C[C@@H]1CC[C@]2(C(=O)NCCNC(=O)CN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000084602117 562743978 /nfs/dbraw/zinc/74/39/78/562743978.db2.gz KWLIXPDANJYNOY-QXQWIYNLSA-N 0 3 555.848 5.196 1 0 KKAFHN COC(=O)[C@H](CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632228 562745464 /nfs/dbraw/zinc/74/54/64/562745464.db2.gz QLDJHSRGZNOSDW-PNWZFYCNSA-N 0 3 568.705 5.683 1 0 KKAFHN COC(=O)[C@H](CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632228 562745465 /nfs/dbraw/zinc/74/54/65/562745465.db2.gz QLDJHSRGZNOSDW-PNWZFYCNSA-N 0 3 568.705 5.683 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084670039 562748169 /nfs/dbraw/zinc/74/81/69/562748169.db2.gz KNVRDGWTVXRYGM-FZDZPQDGSA-N 0 3 664.809 9.899 1 0 KKAFHN O[C@@](CN(CCCOc1ccc(Br)cc1)Cc1ccc(F)cc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706902 562750031 /nfs/dbraw/zinc/75/00/31/562750031.db2.gz DYDKUOPDSUSUNV-MHZLTWQESA-N 0 3 575.429 5.317 1 0 KKAFHN O[C@@](CN(CCCOc1ccc(Br)cc1)Cc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706913 562750054 /nfs/dbraw/zinc/75/00/54/562750054.db2.gz YVAARLQPHDLJTB-MHZLTWQESA-N 0 3 557.439 5.178 1 0 KKAFHN Cc1nc([C@H](C)N(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084712446 562750784 /nfs/dbraw/zinc/75/07/84/562750784.db2.gz GLKLNERYMVOUTP-XDCSYDRFSA-N 0 3 613.872 8.657 1 0 KKAFHN Fc1cc(F)cc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)c1 ZINC000084723441 562751039 /nfs/dbraw/zinc/75/10/39/562751039.db2.gz IOEWHUVVOHHRDF-NDEPHWFRSA-N 0 3 520.967 6.185 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724585 562751181 /nfs/dbraw/zinc/75/11/81/562751181.db2.gz WNGXMRNNQVTALF-IPKHWOJUSA-N 0 3 599.134 8.246 1 0 KKAFHN CCCCCC[C@@H](CN1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084758501 562752639 /nfs/dbraw/zinc/75/26/39/562752639.db2.gz LFVAHWUKKYEQFF-DEOSSOPVSA-N 0 3 535.512 6.750 1 0 KKAFHN O=C(COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540030 562755473 /nfs/dbraw/zinc/75/54/73/562755473.db2.gz ISKBUGHVJHBDHX-LHEWISCISA-N 0 3 808.820 7.733 1 0 KKAFHN O=C(NN1C(=O)[C@H](CN2CCCCC2)S[C@H]1c1ccccc1)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000095540203 562755541 /nfs/dbraw/zinc/75/55/41/562755541.db2.gz PFDHZULVPSJTNO-ARPOTICCSA-N 0 3 773.551 7.351 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@@]21C ZINC000095541781 562756363 /nfs/dbraw/zinc/75/63/63/562756363.db2.gz TYUMKMZEHWSBIR-NVCJNQEXSA-N 0 3 769.804 6.481 1 0 KKAFHN COC(=O)c1ccc(Cn2c3ccccc3nc2C(=O)C2CCN(CC[C@]3(c4ccc(OC)c(OC)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 ZINC000095545552 562758171 /nfs/dbraw/zinc/75/81/71/562758171.db2.gz RBJZEZVXAVEQFQ-DXQCBLCSSA-N 0 3 804.941 6.683 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545710 562758195 /nfs/dbraw/zinc/75/81/95/562758195.db2.gz VBMKWPABKWXAOB-VQJSHJPSSA-N 0 3 756.731 7.581 1 0 KKAFHN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(SC)cc1)Oc1ccc(SC)cc1)c1ccc(F)cc1 ZINC000095547821 562758895 /nfs/dbraw/zinc/75/88/95/562758895.db2.gz RYTCALQPUWAJMY-IWQNTTPNSA-N 0 3 814.960 9.351 1 0 KKAFHN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2ccn(-c3cc(Cl)c(Cl)c(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095548345 562759309 /nfs/dbraw/zinc/75/93/09/562759309.db2.gz QWXPUMULWMMLKL-HBWBRTLKSA-N 0 3 824.128 5.218 1 0 KKAFHN COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4Cc5nc6ccccc6nc5C[C@@]34CCN2C)c2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1Cc1nc2ccccc2nc1C3 ZINC000095548712 562759383 /nfs/dbraw/zinc/75/93/83/562759383.db2.gz NPWHMSGUGLSZEV-FBKDISQOSA-N 0 3 772.950 6.494 1 0 KKAFHN CCCCCC[P@](=O)(COc1ccc(CCN(C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548888 562759597 /nfs/dbraw/zinc/75/95/97/562759597.db2.gz HGLRSGVEGXDYFV-DPAPVZDCSA-N 0 3 819.937 6.583 1 0 KKAFHN CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1)c1ccccc1 ZINC000095550335 562760111 /nfs/dbraw/zinc/76/01/11/562760111.db2.gz KHBCDHGLAQMFCM-ZVQLOQTQSA-N 0 3 762.992 6.347 1 0 KKAFHN CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000095552571 562760724 /nfs/dbraw/zinc/76/07/24/562760724.db2.gz DQYFCUXEUPMHRJ-HXUWFJFHSA-N 0 3 652.794 5.847 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553367 562760900 /nfs/dbraw/zinc/76/09/00/562760900.db2.gz ATLHHAOOYRUXSA-SFCUPQSHSA-N 0 3 801.053 6.126 1 0 KKAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cncc(F)c1)CC1(CCC1)O2 ZINC000095555834 562761654 /nfs/dbraw/zinc/76/16/54/562761654.db2.gz HMMNJCGMHFFTDC-HZFUHODCSA-N 0 3 564.677 5.082 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095564830 562764468 /nfs/dbraw/zinc/76/44/68/562764468.db2.gz GFVNWDBMZVYSCS-PDOBOUQHSA-N 0 3 694.833 5.455 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566440 562765036 /nfs/dbraw/zinc/76/50/36/562765036.db2.gz ILRCCMQCDZZMAZ-ZLEIESQFSA-N 0 3 706.265 5.327 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566440 562765037 /nfs/dbraw/zinc/76/50/37/562765037.db2.gz ILRCCMQCDZZMAZ-ZLEIESQFSA-N 0 3 706.265 5.327 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095566618 562765170 /nfs/dbraw/zinc/76/51/70/562765170.db2.gz MHRHAZBEGDUPII-KXLVQTRWSA-N 0 3 621.778 5.941 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566808 562765331 /nfs/dbraw/zinc/76/53/31/562765331.db2.gz ACSVFUACEODJDN-NCLPYWGKSA-N 0 3 594.712 5.478 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567640 562765986 /nfs/dbraw/zinc/76/59/86/562765986.db2.gz ACSVFUACEODJDN-VJQVOXFUSA-N 0 3 594.712 5.478 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567829 562766151 /nfs/dbraw/zinc/76/61/51/562766151.db2.gz YDQHBDWJWTWAAY-PHKGMDLESA-N 0 3 642.675 5.359 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095568123 562766324 /nfs/dbraw/zinc/76/63/24/562766324.db2.gz RAWKXIVYXKZPFJ-LRZFZUCMSA-N 0 3 616.656 5.770 1 0 KKAFHN COc1cc(OC)nc([C@@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)n1 ZINC000095568158 562766375 /nfs/dbraw/zinc/76/63/75/562766375.db2.gz SRILUZWRNIXOEA-HKBQPEDESA-N 0 3 552.675 5.712 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568245 562766473 /nfs/dbraw/zinc/76/64/73/562766473.db2.gz USVAWBHVHLMWLD-XZTSFBBGSA-N 0 3 658.799 7.628 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568654 562766773 /nfs/dbraw/zinc/76/67/73/562766773.db2.gz FUZWWGXSJONWBM-OSOCVKALSA-N 0 3 652.636 6.720 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095568667 562766785 /nfs/dbraw/zinc/76/67/85/562766785.db2.gz KVYNYDNSHYPGTF-ZIZQKJAQSA-N 0 3 669.785 6.885 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568943 562767028 /nfs/dbraw/zinc/76/70/28/562767028.db2.gz ISYWMCSQLOVTPH-TVMHKENRSA-N 0 3 643.829 5.078 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095569005 562767069 /nfs/dbraw/zinc/76/70/69/562767069.db2.gz UMHMSOGVZPYYOP-CAMFVRPXSA-N 0 3 716.883 5.475 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095569207 562767315 /nfs/dbraw/zinc/76/73/15/562767315.db2.gz QQBXNGROOKAAKB-IKBQMQIHSA-N 0 3 669.745 5.083 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569742 562767635 /nfs/dbraw/zinc/76/76/35/562767635.db2.gz NKYSZIASVRRVQA-ACIJXJFPSA-N 0 3 705.900 6.816 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569822 562767740 /nfs/dbraw/zinc/76/77/40/562767740.db2.gz GFBGNCUTLBGSKQ-AZAGJHQNSA-N 0 3 690.763 7.423 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569919 562767766 /nfs/dbraw/zinc/76/77/66/562767766.db2.gz NAHHEMFFHMWNRU-GTNJKRJXSA-N 0 3 584.639 5.702 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095570123 562767988 /nfs/dbraw/zinc/76/79/88/562767988.db2.gz GQPLODGYDYCVNT-KSWJDTNCSA-N 0 3 650.625 5.084 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570315 562768144 /nfs/dbraw/zinc/76/81/44/562768144.db2.gz GQWDZONLPIYMSR-RCFCZGBRSA-N 0 3 672.826 7.557 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570767 562768506 /nfs/dbraw/zinc/76/85/06/562768506.db2.gz KHFPDWFEACXBKS-SFXKCFQESA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570767 562768507 /nfs/dbraw/zinc/76/85/07/562768507.db2.gz KHFPDWFEACXBKS-SFXKCFQESA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570914 562768622 /nfs/dbraw/zinc/76/86/22/562768622.db2.gz WVAVZXUUZRXWFN-XIWHWFKQSA-N 0 3 613.780 5.507 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570914 562768623 /nfs/dbraw/zinc/76/86/23/562768623.db2.gz WVAVZXUUZRXWFN-XIWHWFKQSA-N 0 3 613.780 5.507 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095571265 562768934 /nfs/dbraw/zinc/76/89/34/562768934.db2.gz YEMFTFQZFYNTOU-CEFNRUSXSA-N 0 3 634.699 6.855 1 0 KKAFHN O=C(CCCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000095573705 562769747 /nfs/dbraw/zinc/76/97/47/562769747.db2.gz VOZCWPZLVZULPC-UHFFFAOYSA-N 0 3 541.721 6.354 1 0 KKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1ccc(Br)cc1)CC2 ZINC000095578715 562771336 /nfs/dbraw/zinc/77/13/36/562771336.db2.gz NFZDBRNAGBYMML-NRFANRHFSA-N 0 3 526.427 5.288 1 0 KKAFHN COC(=O)[C@H](C[NH+](C)C)N(C)C(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095578661 562771367 /nfs/dbraw/zinc/77/13/67/562771367.db2.gz MGAPNBLQWMRDMU-SANMLTNESA-N 0 3 586.154 5.217 1 0 KKAFHN CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(Cc4ccccc4)c(N)n3)nn2)cc1 ZINC000095586385 562773932 /nfs/dbraw/zinc/77/39/32/562773932.db2.gz WESPTUHYAIAVBG-UHFFFAOYSA-N 0 3 527.717 5.223 1 0 KKAFHN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3nc3c2CCCC3)c1 ZINC000095586967 562774186 /nfs/dbraw/zinc/77/41/86/562774186.db2.gz MNIHMUUNRSJJQO-UHFFFAOYSA-N 0 3 625.260 11.027 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@H](O)C(F)(F)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588325 562774589 /nfs/dbraw/zinc/77/45/89/562774589.db2.gz MRRAFIQTUKCGLD-SANMLTNESA-N 0 3 588.602 7.192 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4c([C@H](O)C(F)(F)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588325 562774590 /nfs/dbraw/zinc/77/45/90/562774590.db2.gz MRRAFIQTUKCGLD-SANMLTNESA-N 0 3 588.602 7.192 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(F)c2)c1 ZINC000095589553 562774978 /nfs/dbraw/zinc/77/49/78/562774978.db2.gz ZUJYDDRAOZRSSH-XZWHSSHBSA-N 0 3 547.715 5.315 1 0 KKAFHN CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(-c4ccccc4)c(N)n3)nn2)cc1 ZINC000095590645 562775316 /nfs/dbraw/zinc/77/53/16/562775316.db2.gz NPRNBLCEDUGJIE-UHFFFAOYSA-N 0 3 513.690 5.164 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4sc([C@H](O)C(F)(F)F)cc4c3)[nH]2)cc1 ZINC000095591562 562775671 /nfs/dbraw/zinc/77/56/71/562775671.db2.gz RAAVZRCTBRDFFN-SANMLTNESA-N 0 3 538.595 6.557 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4sc([C@H](O)C(F)(F)F)cc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095591562 562775672 /nfs/dbraw/zinc/77/56/72/562775672.db2.gz RAAVZRCTBRDFFN-SANMLTNESA-N 0 3 538.595 6.557 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095599082 562777760 /nfs/dbraw/zinc/77/77/60/562777760.db2.gz KVYNYDNSHYPGTF-NSWWAWACSA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599196 562777824 /nfs/dbraw/zinc/77/78/24/562777824.db2.gz UIKXZKCHSBRXDR-WYOWBBOASA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599196 562777825 /nfs/dbraw/zinc/77/78/25/562777825.db2.gz UIKXZKCHSBRXDR-WYOWBBOASA-N 0 3 705.840 6.434 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599418 562778073 /nfs/dbraw/zinc/77/80/73/562778073.db2.gz ZBBNPLMVFVREHD-WMVXZGOPSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599418 562778074 /nfs/dbraw/zinc/77/80/74/562778074.db2.gz ZBBNPLMVFVREHD-WMVXZGOPSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599522 562778135 /nfs/dbraw/zinc/77/81/35/562778135.db2.gz UQRVVYXDOOLUAO-FXKJGQKXSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599522 562778136 /nfs/dbraw/zinc/77/81/36/562778136.db2.gz UQRVVYXDOOLUAO-FXKJGQKXSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095599568 562778189 /nfs/dbraw/zinc/77/81/89/562778189.db2.gz KVYNYDNSHYPGTF-CBUCOWSNSA-N 0 3 669.785 6.885 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599630 562778234 /nfs/dbraw/zinc/77/82/34/562778234.db2.gz LFZLAWVTNRSJHJ-PUNARZIMSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095599914 562778426 /nfs/dbraw/zinc/77/84/26/562778426.db2.gz JUFFYBBKNFKMBH-OXYPMYLPSA-N 0 3 627.704 6.041 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600017 562778575 /nfs/dbraw/zinc/77/85/75/562778575.db2.gz YDQHBDWJWTWAAY-QPPRZBLKSA-N 0 3 642.675 5.359 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600275 562778763 /nfs/dbraw/zinc/77/87/63/562778763.db2.gz ZBBNPLMVFVREHD-BGNUVLEZSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600275 562778764 /nfs/dbraw/zinc/77/87/64/562778764.db2.gz ZBBNPLMVFVREHD-BGNUVLEZSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600653 562779100 /nfs/dbraw/zinc/77/91/00/562779100.db2.gz RBOAJFBNHJWMOW-VUYBWUDLSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600949 562779385 /nfs/dbraw/zinc/77/93/85/562779385.db2.gz KHFPDWFEACXBKS-XLCATFGMSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600949 562779386 /nfs/dbraw/zinc/77/93/86/562779386.db2.gz KHFPDWFEACXBKS-XLCATFGMSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095601673 562779734 /nfs/dbraw/zinc/77/97/34/562779734.db2.gz KVYNYDNSHYPGTF-BWLKTWDLSA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095603125 562780403 /nfs/dbraw/zinc/78/04/03/562780403.db2.gz CMLTYIJXOZVOLL-PDTNBVABSA-N 0 3 612.815 6.089 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605381 562781551 /nfs/dbraw/zinc/78/15/51/562781551.db2.gz QMCFBRPLMVFDBX-IUVSGJEMSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605381 562781552 /nfs/dbraw/zinc/78/15/52/562781552.db2.gz QMCFBRPLMVFDBX-IUVSGJEMSA-N 0 3 740.285 7.087 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605476 562781577 /nfs/dbraw/zinc/78/15/77/562781577.db2.gz ZBBNPLMVFVREHD-UGDHZGHBSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605476 562781578 /nfs/dbraw/zinc/78/15/78/562781578.db2.gz ZBBNPLMVFVREHD-UGDHZGHBSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095605458 562781589 /nfs/dbraw/zinc/78/15/89/562781589.db2.gz KTOLAWMRFLMANX-IQRSPBMWSA-N 0 3 683.812 6.814 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000095608936 562783810 /nfs/dbraw/zinc/78/38/10/562783810.db2.gz UZFBINGRHVFVJI-WBCKFURZSA-N 0 3 787.962 6.268 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC ZINC000095610615 562784533 /nfs/dbraw/zinc/78/45/33/562784533.db2.gz USQNYIPSWUNBEC-VZUYHUTRSA-N 0 3 748.852 6.747 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cc(F)cc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000095613173 562786116 /nfs/dbraw/zinc/78/61/16/562786116.db2.gz RSUCFJLTDREZLP-ZOVYIVPUSA-N 0 3 789.871 6.573 1 0 KKAFHN CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095615720 562787448 /nfs/dbraw/zinc/78/74/48/562787448.db2.gz PZDHHODHDFQQQA-WMJIDNGHSA-N 0 3 751.966 5.025 1 0 KKAFHN COc1cc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000095617213 562787920 /nfs/dbraw/zinc/78/79/20/562787920.db2.gz VRHQZPFNZWICEO-BQYQJAHWSA-N 0 3 800.950 6.953 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000095670060 562788253 /nfs/dbraw/zinc/78/82/53/562788253.db2.gz YWKQKXOEKQEVAI-DHLKQENFSA-N 0 3 527.505 6.606 1 0 KKAFHN CCNc1ccc(OC[C@H](O)CN(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670078 562788260 /nfs/dbraw/zinc/78/82/60/562788260.db2.gz IWYTUWMBDRWLJL-SQHAQQRYSA-N 0 3 502.577 6.019 1 0 KKAFHN CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095690846 562788430 /nfs/dbraw/zinc/78/84/30/562788430.db2.gz UWZVFFPZKKJULR-QZTZHPFYSA-N 0 3 554.585 5.228 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095751136 562788829 /nfs/dbraw/zinc/78/88/29/562788829.db2.gz DJCIIHJEQUSOOT-JNOFGXDLSA-N 0 3 703.803 6.882 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095754177 562788885 /nfs/dbraw/zinc/78/88/85/562788885.db2.gz RRTLYMIVDSYVQP-KTYLLXISSA-N 0 3 592.740 6.350 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095782424 562789057 /nfs/dbraw/zinc/78/90/57/562789057.db2.gz ZBSMIXMEGWTGMY-NWDSAUNBSA-N 0 3 583.773 6.225 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797912 562789186 /nfs/dbraw/zinc/78/91/86/562789186.db2.gz HQAZDFNOZXZGFG-SYZUXVNWSA-N 0 3 540.626 5.862 1 0 KKAFHN Cc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1 ZINC000095833065 562789294 /nfs/dbraw/zinc/78/92/94/562789294.db2.gz UFJFLQUSVAOZJI-UCRLTYHRSA-N 0 3 611.743 5.125 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095834834 562789376 /nfs/dbraw/zinc/78/93/76/562789376.db2.gz NHGHJDDGJPIKGB-IZVMNLJQSA-N 0 3 590.687 5.512 1 0 KKAFHN CC(C)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(Oc3ccccc3)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873108 562790135 /nfs/dbraw/zinc/79/01/35/562790135.db2.gz PMTGVSOLRQSCER-GOXGLGGOSA-N 0 3 578.713 6.506 1 0 KKAFHN Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cccc(OCCCN4CCN(C)CC4)c3)nc12 ZINC000096167721 562790535 /nfs/dbraw/zinc/79/05/35/562790535.db2.gz HVTIZQHNYBUTRY-UHFFFAOYSA-N 0 3 537.495 6.067 1 0 KKAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN(C)CCN(C)C)cn3)c3ncccc23)c1Cl ZINC000096173430 562791404 /nfs/dbraw/zinc/79/14/04/562791404.db2.gz IMCZGDACQFKCPD-UHFFFAOYSA-N 0 3 568.505 5.867 1 0 KKAFHN Cc1ccc(CN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174024 562791593 /nfs/dbraw/zinc/79/15/93/562791593.db2.gz HLSUDLCHXYLGFX-UHFFFAOYSA-N 0 3 513.649 5.680 1 0 KKAFHN c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)o2)cc1 ZINC000096174142 562791758 /nfs/dbraw/zinc/79/17/58/562791758.db2.gz AQDALWAVCROEPV-UHFFFAOYSA-N 0 3 552.642 6.483 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258645 562792933 /nfs/dbraw/zinc/79/29/33/562792933.db2.gz PIUKQSMOYIMGDG-UHFFFAOYSA-N 0 3 524.625 5.408 1 0 KKAFHN C[C@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269480 562792948 /nfs/dbraw/zinc/79/29/48/562792948.db2.gz HVGOKDSSQHDHOP-LJAQVGFWSA-N 0 3 684.853 8.959 1 0 KKAFHN C[C@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269488 562792962 /nfs/dbraw/zinc/79/29/62/562792962.db2.gz LIUKBAIABYHLPL-DEOSSOPVSA-N 0 3 523.696 7.812 1 0 KKAFHN C[C@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270070 562793127 /nfs/dbraw/zinc/79/31/27/562793127.db2.gz IEFWFBOBLBKOIT-QHCPKHFHSA-N 0 3 600.691 6.619 1 0 KKAFHN C[C@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270068 562793140 /nfs/dbraw/zinc/79/31/40/562793140.db2.gz FBWXOUBMHZMKRS-VWLOTQADSA-N 0 3 628.745 7.399 1 0 KKAFHN C[C@@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270057 562793166 /nfs/dbraw/zinc/79/31/66/562793166.db2.gz HGRAQIZTJBXKFK-XMMPIXPASA-N 0 3 614.718 7.009 1 0 KKAFHN C[C@@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270055 562793170 /nfs/dbraw/zinc/79/31/70/562793170.db2.gz IDYOZSGAARAUPI-RUZDIDTESA-N 0 3 628.745 7.399 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271286 562793777 /nfs/dbraw/zinc/79/37/77/562793777.db2.gz FDKHDUKBGKXSDO-UHFFFAOYSA-N 0 3 583.220 9.310 1 0 KKAFHN O=C(CCCCCNc1c2ccccc2nc2c1CCCC2)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000096273399 562794471 /nfs/dbraw/zinc/79/44/71/562794471.db2.gz PCSFTCUUDKFBPK-UHFFFAOYSA-N 0 3 520.702 8.001 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285352 562795500 /nfs/dbraw/zinc/79/55/00/562795500.db2.gz GLZGIZYROAGFSY-OUTSHDOLSA-N 0 3 580.217 6.384 1 0 KKAFHN Cc1cc(F)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285359 562795508 /nfs/dbraw/zinc/79/55/08/562795508.db2.gz RABMHVAUKSATIA-KPURRNSFSA-N 0 3 564.750 5.325 1 0 KKAFHN Cc1cc(F)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285356 562795516 /nfs/dbraw/zinc/79/55/16/562795516.db2.gz RABMHVAUKSATIA-ZTOMLWHTSA-N 0 3 564.750 5.325 1 0 KKAFHN Cc1cc(C)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285377 562795577 /nfs/dbraw/zinc/79/55/77/562795577.db2.gz FRBJEUDAEXXYFS-HLADLETHSA-N 0 3 560.787 5.495 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285389 562795607 /nfs/dbraw/zinc/79/56/07/562795607.db2.gz BUQGFMHFSZHCHF-RLWLMLJZSA-N 0 3 538.136 5.356 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096285461 562795711 /nfs/dbraw/zinc/79/57/11/562795711.db2.gz WFKZOGGTBBNGQC-RBTNQOKQSA-N 0 3 550.723 5.017 1 0 KKAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923592 562802115 /nfs/dbraw/zinc/80/21/15/562802115.db2.gz YXMJJRWBZVDXTQ-WJOKGBTCSA-N 0 3 546.781 5.187 1 0 KKAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923592 562802116 /nfs/dbraw/zinc/80/21/16/562802116.db2.gz YXMJJRWBZVDXTQ-WJOKGBTCSA-N 0 3 546.781 5.187 1 0 KKAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923593 562802121 /nfs/dbraw/zinc/80/21/21/562802121.db2.gz YXMJJRWBZVDXTQ-HKBQPEDESA-N 0 3 546.781 5.187 1 0 KKAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923593 562802122 /nfs/dbraw/zinc/80/21/22/562802122.db2.gz YXMJJRWBZVDXTQ-HKBQPEDESA-N 0 3 546.781 5.187 1 0 KKAFHN CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)/C=C/CN(C)C ZINC000096928315 562802835 /nfs/dbraw/zinc/80/28/35/562802835.db2.gz LZTNXKNAAUFIGG-VQHVLOKHSA-N 0 3 509.006 5.021 1 0 KKAFHN O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)CN3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929484 562803066 /nfs/dbraw/zinc/80/30/66/562803066.db2.gz NGQMIUZGTLTNIT-JOCHJYFZSA-N 0 3 514.553 5.360 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccn2)cc1F ZINC000096932305 562803344 /nfs/dbraw/zinc/80/33/44/562803344.db2.gz PANXQWFJZSTTQB-UHFFFAOYSA-N 0 3 689.710 7.524 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCCc2ccccc2)[C@H](CCCCC)C1C(=O)OCCCc1ccccc1 ZINC000100033956 562806273 /nfs/dbraw/zinc/80/62/73/562806273.db2.gz SRXLAVOHOUQJFM-PTBNBFCCSA-N 0 3 503.683 7.526 1 0 KKAFHN CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)N3CCc2ccc(OC)c(OC)c2)cc1 ZINC000100760066 562807700 /nfs/dbraw/zinc/80/77/00/562807700.db2.gz GUCKXKSRGHSRQI-YHTXFFTCSA-N 0 3 541.736 6.562 1 0 KKAFHN O=S(=O)([N-][C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F ZINC000101085951 562809036 /nfs/dbraw/zinc/80/90/36/562809036.db2.gz LVDRNYWTLKUNNT-OYRHEFFESA-N 0 3 507.071 5.489 1 0 KKAFHN Clc1ccc([C@H](CN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)Cn2cncn2)c(Cl)c1 ZINC000103176097 562815069 /nfs/dbraw/zinc/81/50/69/562815069.db2.gz HVILDJJFPBAMPJ-WGDDOWTBSA-N 0 3 503.477 7.098 1 0 KKAFHN CC(C)CCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103216101 562817092 /nfs/dbraw/zinc/81/70/92/562817092.db2.gz YEXROTKJSIVIGK-RUZDIDTESA-N 0 3 563.783 7.128 1 0 KKAFHN CC(C)CCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103216101 562817093 /nfs/dbraw/zinc/81/70/93/562817093.db2.gz YEXROTKJSIVIGK-RUZDIDTESA-N 0 3 563.783 7.128 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103217232 562817215 /nfs/dbraw/zinc/81/72/15/562817215.db2.gz ADFBYICNEHVZQD-RUZDIDTESA-N 0 3 579.782 7.108 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103217232 562817216 /nfs/dbraw/zinc/81/72/16/562817216.db2.gz ADFBYICNEHVZQD-RUZDIDTESA-N 0 3 579.782 7.108 1 0 KKAFHN NC(=O)[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103224233 562817563 /nfs/dbraw/zinc/81/75/63/562817563.db2.gz MBMOHZHCIADYJD-JSCPRHNGSA-N 0 3 500.857 6.181 1 0 KKAFHN Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103230105 562818100 /nfs/dbraw/zinc/81/81/00/562818100.db2.gz ZEIFJJKBAHPYGV-XHBHTSLYSA-N 0 3 502.470 7.392 1 0 KKAFHN Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(F)cc2)cc1 ZINC000103230160 562818122 /nfs/dbraw/zinc/81/81/22/562818122.db2.gz OHKCOQGAJDGEIC-PGSXWIQSSA-N 0 3 504.005 7.017 1 0 KKAFHN COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(Cl)cc3)N1[C@H]2c1ccccc1OC ZINC000103230145 562818147 /nfs/dbraw/zinc/81/81/47/562818147.db2.gz AVUVBKGKDCOGSY-PEEFESNKSA-N 0 3 528.077 6.756 1 0 KKAFHN Clc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccccc3)N1[C@@H]2c1ccccc1Cl ZINC000103231047 562818251 /nfs/dbraw/zinc/81/82/51/562818251.db2.gz OHPJBWPFNZCIEX-HEPAGWHJSA-N 0 3 502.470 7.392 1 0 KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234241 562818607 /nfs/dbraw/zinc/81/86/07/562818607.db2.gz FIOVRQYTOCQIIS-UHFFFAOYSA-N 0 3 573.565 5.003 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccncc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240393 562819467 /nfs/dbraw/zinc/81/94/67/562819467.db2.gz ZSZLFTIBFWOBBQ-UUWRZZSWSA-N 0 3 587.772 5.183 1 0 KKAFHN CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C/C(=O)O1)=C\CN(C)C ZINC000103240924 562819505 /nfs/dbraw/zinc/81/95/05/562819505.db2.gz VSVORQIMRUVRPE-SRPNJBBOSA-N 0 3 526.743 6.159 1 0 KKAFHN O=C(N1CCN(c2ccccn2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000103261474 562821384 /nfs/dbraw/zinc/82/13/84/562821384.db2.gz LAMYCJIXYOSQFI-NDEPHWFRSA-N 0 3 592.584 5.882 1 0 KKAFHN COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C ZINC000103287602 562823909 /nfs/dbraw/zinc/82/39/09/562823909.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 0 3 608.735 6.440 1 0 KKAFHN CCC(=O)[C@@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)(C(C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](O)[C@@H]2C)c(C)c(=O)c1C ZINC000103290164 562824104 /nfs/dbraw/zinc/82/41/04/562824104.db2.gz KFTURSYHACTBSL-WVDUYOIGSA-N 0 3 558.712 5.099 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114034837 562826961 /nfs/dbraw/zinc/82/69/61/562826961.db2.gz BVSKHIIWHAYTKD-IBGZPJMESA-N 0 3 545.043 5.323 1 0 KKAFHN CCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(OC)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC000114037514 562827174 /nfs/dbraw/zinc/82/71/74/562827174.db2.gz CVTUKVIQVMHDFD-GOSISDBHSA-N 0 3 518.017 5.538 1 0 KKAFHN O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114599672 562828343 /nfs/dbraw/zinc/82/83/43/562828343.db2.gz ZMIWRRKLVCCVBJ-UHFFFAOYSA-N 0 3 522.067 5.773 1 0 KKAFHN Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000114599457 562828358 /nfs/dbraw/zinc/82/83/58/562828358.db2.gz RAYWFVBTQQRRAT-UHFFFAOYSA-N 0 3 505.612 5.177 1 0 KKAFHN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN4CCCCC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754772 562828451 /nfs/dbraw/zinc/82/84/51/562828451.db2.gz VLFJNCVNWVVWAV-UHFFFAOYSA-N 0 3 549.679 6.520 1 0 KKAFHN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OC4CCN(C)CC4)ccn32)n1 ZINC000117881691 562829911 /nfs/dbraw/zinc/82/99/11/562829911.db2.gz RHDXUUDHWYWTHB-UHFFFAOYSA-N 0 3 535.652 5.038 1 0 KKAFHN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118797930 562830693 /nfs/dbraw/zinc/83/06/93/562830693.db2.gz WKPFGADMDMLPOJ-PJBRNLGDSA-N 0 3 604.191 6.866 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@H]3C)n1 ZINC000138445289 562831890 /nfs/dbraw/zinc/83/18/90/562831890.db2.gz YCYJCQNPVKDAGA-KRWDZBQOSA-N 0 3 616.616 5.350 1 0 KKAFHN CCN1CCN([C@@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138929035 562832266 /nfs/dbraw/zinc/83/22/66/562832266.db2.gz JVGNHFZOVWJKER-SSEXGKCCSA-N 0 3 533.680 5.468 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000140610562 562833255 /nfs/dbraw/zinc/83/32/55/562833255.db2.gz ZHOXUZURILSINR-UHFFFAOYSA-N 0 3 617.636 5.690 1 0 KKAFHN Cc1nc(N[C@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807750 562833766 /nfs/dbraw/zinc/83/37/66/562833766.db2.gz GXIQTOFJWLRYOF-LJQANCHMSA-N 0 3 507.667 5.706 1 0 KKAFHN C[C@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000142004970 562833892 /nfs/dbraw/zinc/83/38/92/562833892.db2.gz PIQWOQHEODPFLM-IZZNHLLZSA-N 0 3 561.782 8.868 1 0 KKAFHN c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(c5nc(-c6ccncc6)n[nH]5)CC4)cc3)nnc1-2 ZINC000142014013 562833904 /nfs/dbraw/zinc/83/39/04/562833904.db2.gz FJCWCPHHVCAGJJ-UHFFFAOYSA-N 0 3 552.646 5.613 1 0 KKAFHN [NH3+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280828 562834153 /nfs/dbraw/zinc/83/41/53/562834153.db2.gz DPRHDWBFUWCIKZ-DENIHFKCSA-N 0 3 511.496 5.012 1 0 KKAFHN [NH3+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000142555814 562834222 /nfs/dbraw/zinc/83/42/22/562834222.db2.gz CEZKXCISFFAHCY-UNMCSNQZSA-N 0 3 511.496 5.012 1 0 KKAFHN [NH3+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143249071 562834838 /nfs/dbraw/zinc/83/48/38/562834838.db2.gz AYHOCUNWSMDBOV-SFTDATJTSA-N 0 3 511.496 5.012 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(Cl)nc4s3)c3c2c(Cl)ccc3O)CC1 ZINC000143309330 562834884 /nfs/dbraw/zinc/83/48/84/562834884.db2.gz SGRORDSPRIKCOQ-UHFFFAOYSA-N 0 3 611.599 7.879 1 0 KKAFHN Brc1c2nc(N3CCNCC3)n(Cc3ccccc3)c2c(Br)c(Br)c1Br ZINC000143697374 562835254 /nfs/dbraw/zinc/83/52/54/562835254.db2.gz RJPCMGQQJFFYQO-UHFFFAOYSA-N 0 3 607.970 5.544 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145961708 562837815 /nfs/dbraw/zinc/83/78/15/562837815.db2.gz YRPFUQZDIAIQNW-UHFFFAOYSA-N 0 3 604.029 5.955 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906861 562838863 /nfs/dbraw/zinc/83/88/63/562838863.db2.gz AEJRFQRMYCKSKQ-LUHADWIUSA-N 0 3 576.540 5.550 1 0 KKAFHN CN1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147818115 562839700 /nfs/dbraw/zinc/83/97/00/562839700.db2.gz DZEQBPTXICASFA-FUHWJXTLSA-N 0 3 517.605 5.411 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N(C)CCN(C)C)nc43)c2)cc1C(F)(F)F ZINC000148064229 562840080 /nfs/dbraw/zinc/84/00/80/562840080.db2.gz JMWZESSBMMDLCI-UHFFFAOYSA-N 0 3 574.995 5.094 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148161283 562840353 /nfs/dbraw/zinc/84/03/53/562840353.db2.gz CFVOEKPWYXSLMG-UHFFFAOYSA-N 0 3 572.567 5.065 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148341082 562841040 /nfs/dbraw/zinc/84/10/40/562841040.db2.gz JUWHIUMFCPIQIH-UHFFFAOYSA-N 0 3 622.652 5.054 1 0 KKAFHN C[C@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1 ZINC000148779132 562841787 /nfs/dbraw/zinc/84/17/87/562841787.db2.gz NNWHHZWGFMXAIM-RPWUZVMVSA-N 0 3 513.697 8.124 1 0 KKAFHN CN1CCN(C[C@@H](O)COc2c(Br)cc(C(c3cc(Br)c(OC[C@H](O)CN4CCN(C)CC4)c(Br)c3)(C(F)(F)F)C(F)(F)F)cc2Br)CC1 ZINC000150561651 562844892 /nfs/dbraw/zinc/84/48/92/562844892.db2.gz GGMPSENEASCRJD-FGZHOGPDSA-N 0 3 964.273 6.122 1 0 KKAFHN CN1CCN(C[C@@H](O)COc2c(Br)cc(C3(c4cc(Br)c(OC[C@@H](O)CN5CCN(C)CC5)c(Br)c4)CCCC3)cc2Br)CC1 ZINC000150572097 562845129 /nfs/dbraw/zinc/84/51/29/562845129.db2.gz FRIJBBZZVJQGPH-WMPKNSHKSA-N 0 3 882.371 5.571 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000150591274 562846215 /nfs/dbraw/zinc/84/62/15/562846215.db2.gz LBTNVOYZSMLSOC-YMGMDVPJSA-N 0 3 700.877 6.224 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000150591252 562846241 /nfs/dbraw/zinc/84/62/41/562846241.db2.gz LBTNVOYZSMLSOC-VHISSRMDSA-N 0 3 700.877 6.224 1 0 KKAFHN NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCCN2CCCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593680 562846455 /nfs/dbraw/zinc/84/64/55/562846455.db2.gz MKKJIZLBKPCEJF-GOSISDBHSA-N 0 3 647.395 5.442 1 0 KKAFHN CCCCN1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606213 562847905 /nfs/dbraw/zinc/84/79/05/562847905.db2.gz WOBWACBYJMRKDB-JUKUECOXSA-N 0 3 674.956 6.416 1 0 KKAFHN Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN(C)C)c3)CC2)cs1 ZINC000166577964 562850457 /nfs/dbraw/zinc/85/04/57/562850457.db2.gz SHQDMXDGBWKKKZ-PSWAGMNNSA-N 0 3 603.720 5.683 1 0 KKAFHN c1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1 ZINC000166994381 562850589 /nfs/dbraw/zinc/85/05/89/562850589.db2.gz MIPHANSBMGABAD-UHFFFAOYSA-N 0 3 537.671 6.659 1 0 KKAFHN Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCCOCC4)c3)CC2)nn1C ZINC000167316878 562850688 /nfs/dbraw/zinc/85/06/88/562850688.db2.gz KZOXYCHDEODHMX-HNRBIFIRSA-N 0 3 656.759 5.121 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCCC1 ZINC000169293794 562852130 /nfs/dbraw/zinc/85/21/30/562852130.db2.gz AEXUFSNLZAPTED-ILBGXUMGSA-N 0 3 540.717 6.402 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)OCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307061 562853719 /nfs/dbraw/zinc/85/37/19/562853719.db2.gz SLTCXVQIICRRLH-PGUFJCEWSA-N 0 3 587.768 6.215 1 0 KKAFHN COc1ccc(C2=NN(CCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000169307478 562853804 /nfs/dbraw/zinc/85/38/04/562853804.db2.gz GRNBKBZWMMRNLG-ZNYQKRLWSA-N 0 3 672.823 5.444 1 0 KKAFHN C[NH+](C)CCCn1c(=O)c(CCCCCCN2CCN(c3cccc(Cl)c3)CC2)c([O-])c2ccccc21 ZINC000169319134 562856167 /nfs/dbraw/zinc/85/61/67/562856167.db2.gz OWRPCOONNYMSMY-HHHXNRCGSA-N 0 3 525.137 5.210 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5cnccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321706 562856745 /nfs/dbraw/zinc/85/67/45/562856745.db2.gz ZQGIWKASPWHWQM-UHFFFAOYSA-N 0 3 547.634 6.129 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324408 562857297 /nfs/dbraw/zinc/85/72/97/562857297.db2.gz PKGYZDAFSIPMQA-UHFFFAOYSA-N 0 3 591.800 7.383 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324402 562857314 /nfs/dbraw/zinc/85/73/14/562857314.db2.gz OOLYGGOEVPIMQJ-UHFFFAOYSA-N 0 3 535.692 5.822 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169325211 562857571 /nfs/dbraw/zinc/85/75/71/562857571.db2.gz FHUVJFQMWJHJJK-UHFFFAOYSA-N 0 3 562.802 9.047 1 0 KKAFHN CCCNC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)cc(N2CCCCC2)c1 ZINC000169334461 562859498 /nfs/dbraw/zinc/85/94/98/562859498.db2.gz ZMZTYRZAAPSDOQ-JHOUSYSJSA-N 0 3 600.804 5.052 1 0 KKAFHN O=C(N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1)Oc1ccccc1 ZINC000169348479 562862278 /nfs/dbraw/zinc/86/22/78/562862278.db2.gz NGHNZQBWCRPHSF-KDXMTYKHSA-N 0 3 680.849 6.766 1 0 KKAFHN CN1CCN(c2ccc(CN3CCC4(CC3)O[C@@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)CC1 ZINC000169703937 562868931 /nfs/dbraw/zinc/86/89/31/562868931.db2.gz PLWTZHJSHDGCFT-NDEPHWFRSA-N 0 3 523.508 5.751 1 0 KKAFHN CCN1CCC(Oc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711532 562871025 /nfs/dbraw/zinc/87/10/25/562871025.db2.gz ZOPUETNLEJRCKX-UHFFFAOYSA-N 0 3 543.624 5.140 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN([C@@H]5CC[NH2+]C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000203987094 562874281 /nfs/dbraw/zinc/87/42/81/562874281.db2.gz GLQMCKGYHGHBCP-OAQYLSRUSA-N 0 3 521.061 5.100 1 0 KKAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2I)n1 ZINC000205179035 562874988 /nfs/dbraw/zinc/87/49/88/562874988.db2.gz IDRQGRCXNROMMS-UHFFFAOYSA-N 0 3 633.966 5.447 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)nc3)ncc2C1 ZINC000205372633 562875244 /nfs/dbraw/zinc/87/52/44/562875244.db2.gz QRCADIJQEQMSLL-UHFFFAOYSA-N 0 3 644.702 5.581 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)cc12 ZINC000205594975 562875578 /nfs/dbraw/zinc/87/55/78/562875578.db2.gz FDPFEWCMKUTRHJ-UHFFFAOYSA-N 0 3 660.303 9.028 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000221457755 562878984 /nfs/dbraw/zinc/87/89/84/562878984.db2.gz JTODDVDFMYBPGG-UHFFFAOYSA-N 0 3 541.696 6.034 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4cc(Cl)ccc4nc4c3CCCC4)cc12 ZINC000221458286 562878993 /nfs/dbraw/zinc/87/89/93/562878993.db2.gz JUBDOIQNUNJQNE-UHFFFAOYSA-N 0 3 660.303 9.028 1 0 KKAFHN COc1ccc([C@@H]2[C@@H](c3ccc([C@H](O)c4ccc(OCCN5CCCC5)cc4)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000299829343 562884815 /nfs/dbraw/zinc/88/48/15/562884815.db2.gz TWJWRMVCNFZKDN-VATRIRCNSA-N 0 3 578.709 6.132 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3N)ccc2OC)c1 ZINC000299835732 562886942 /nfs/dbraw/zinc/88/69/42/562886942.db2.gz MOBBWJFBIQCUMF-UHFFFAOYSA-N 0 3 537.660 6.345 1 0 KKAFHN CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299836020 562886994 /nfs/dbraw/zinc/88/69/94/562886994.db2.gz XURDPEUDMWYWBO-UHFFFAOYSA-N 0 3 535.888 6.936 1 0 KKAFHN FC(F)(F)c1cc(-n2cc(CN(C3CCCCC3)C3CCCCC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299836452 562887123 /nfs/dbraw/zinc/88/71/23/562887123.db2.gz NFUIBZUPMVHSMD-UHFFFAOYSA-N 0 3 525.541 7.321 1 0 KKAFHN CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1C ZINC000299836476 562887139 /nfs/dbraw/zinc/88/71/39/562887139.db2.gz NITWYWFBQXEHJU-MUUNZHRXSA-N 0 3 539.642 5.652 1 0 KKAFHN COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)c(F)c3)c3ccccc3c2=O)cc1 ZINC000299836465 562887150 /nfs/dbraw/zinc/88/71/50/562887150.db2.gz GWBQJBXETJIIFP-UHFFFAOYSA-N 0 3 718.786 6.151 1 0 KKAFHN Fc1ccc(Nc2nc(NC(=S)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000299836942 562887333 /nfs/dbraw/zinc/88/73/33/562887333.db2.gz IUXNPMCIZGVNBX-HHHXNRCGSA-N 0 3 578.652 7.185 1 0 KKAFHN O=C(NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000299839269 562888121 /nfs/dbraw/zinc/88/81/21/562888121.db2.gz XKKFXCKMPXLPKK-UHFFFAOYSA-N 0 3 567.737 8.212 1 0 KKAFHN COc1ccc(-c2nc(C(=O)NCCCCCCNc3c4ccccc4nc4c3CCCC4)cc3c4ccccc4[nH]c32)cc1 ZINC000299839907 562888374 /nfs/dbraw/zinc/88/83/74/562888374.db2.gz ZXEXKQSBZMYPAQ-UHFFFAOYSA-N 0 3 597.763 8.221 1 0 KKAFHN COc1cc2oc(-c3cccc(OCC(=O)NCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299854728 562891457 /nfs/dbraw/zinc/89/14/57/562891457.db2.gz AIDUIQUGINXQDF-UHFFFAOYSA-N 0 3 658.151 6.563 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299855233 562891612 /nfs/dbraw/zinc/89/16/12/562891612.db2.gz ATFSKIZVJOMGAR-XIFFEERXSA-N 0 3 529.725 6.617 1 0 KKAFHN Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1NC(=O)[C@@H](N)CCc1ccc(OCc2ccccc2)cc1 ZINC000299860219 562892888 /nfs/dbraw/zinc/89/28/88/562892888.db2.gz IUVPNCMZJKEEOP-VQIIKMDRSA-N 0 3 695.820 6.312 1 0 KKAFHN O=C(CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000299862898 562893684 /nfs/dbraw/zinc/89/36/84/562893684.db2.gz KHBMIQRFIMHKLD-HKBQPEDESA-N 0 3 530.757 5.430 1 0 KKAFHN CCN(CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864119 562894021 /nfs/dbraw/zinc/89/40/21/562894021.db2.gz LZNTUKFMGLSYSB-SVBGJNGRSA-N 0 3 559.710 6.182 1 0 KKAFHN CN(C)CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864791 562894173 /nfs/dbraw/zinc/89/41/73/562894173.db2.gz MVEOKWWWGIPPQA-AXMAENODSA-N 0 3 545.683 5.792 1 0 KKAFHN Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccccc3)N2CCc2ccccc2)cc1 ZINC000473107473 562898358 /nfs/dbraw/zinc/89/83/58/562898358.db2.gz JERHAMYESMKTSI-IMKBVMFZSA-N 0 3 568.765 5.955 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)/C=C/c3ccccc3)cc1)CC2 ZINC000473134077 562900476 /nfs/dbraw/zinc/90/04/76/562900476.db2.gz BOAVDYZAPQBOES-SAPNQHFASA-N 0 3 561.682 6.209 1 0 KKAFHN [NH3+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000473134794 562900537 /nfs/dbraw/zinc/90/05/37/562900537.db2.gz HXBYBGQYXYNWTQ-UHFFFAOYSA-N 0 3 548.039 5.378 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473146927 562901395 /nfs/dbraw/zinc/90/13/95/562901395.db2.gz DUACEZNSYNKOQI-HKBQPEDESA-N 0 3 536.116 5.912 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473149929 562901538 /nfs/dbraw/zinc/90/15/38/562901538.db2.gz KSTZJULPHDWERN-LJAQVGFWSA-N 0 3 508.062 5.132 1 0 KKAFHN CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3cncnc3)ccc2OC(F)(F)F)c1 ZINC000473152461 562901836 /nfs/dbraw/zinc/90/18/36/562901836.db2.gz UMQLRCLTJKNIHD-UHFFFAOYSA-N 0 3 547.534 5.193 1 0 KKAFHN COc1ccc(C(=O)OCCN(C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)ccc1OC(F)(F)F ZINC000473152918 562901881 /nfs/dbraw/zinc/90/18/81/562901881.db2.gz XHKWYWDUUNYFJG-UHFFFAOYSA-N 0 3 556.541 6.105 1 0 KKAFHN N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@H](CCC(=O)N(C[C@@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233224 562904445 /nfs/dbraw/zinc/90/44/45/562904445.db2.gz MWPFNYBDOHKZHA-QVWWMRLHSA-N 0 3 585.793 6.810 1 0 KKAFHN COc1ccc(-n2c(C)c(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)c(F)c3)n(C)c2=O)cc1 ZINC000474607140 562905426 /nfs/dbraw/zinc/90/54/26/562905426.db2.gz JQLIANVZZPMVDC-UHFFFAOYSA-N 0 3 684.769 5.250 1 0 KKAFHN Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474607811 562905440 /nfs/dbraw/zinc/90/54/40/562905440.db2.gz KDHWFWPMHSIPPF-UHFFFAOYSA-N 0 3 626.661 6.152 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000474609870 562905732 /nfs/dbraw/zinc/90/57/32/562905732.db2.gz WLABUXFFCJTSTL-UHFFFAOYSA-N 0 3 738.739 6.140 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000653708694 562908004 /nfs/dbraw/zinc/90/80/04/562908004.db2.gz SYBFJVJKOITZFD-UHFFFAOYSA-N 0 3 561.086 5.304 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653717448 562908589 /nfs/dbraw/zinc/90/85/89/562908589.db2.gz HSMHBKPGNYWETC-UHFFFAOYSA-N 0 3 736.244 7.709 1 0 KKAFHN CC(C)(C)C(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653718336 562908650 /nfs/dbraw/zinc/90/86/50/562908650.db2.gz FYTRQWAEXAEGFI-UHFFFAOYSA-N 0 3 598.673 7.029 1 0 KKAFHN CNC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653760889 562911317 /nfs/dbraw/zinc/91/13/17/562911317.db2.gz JJXSRKVPWYBNSN-UHFFFAOYSA-N 0 3 556.592 5.404 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653784810 562912293 /nfs/dbraw/zinc/91/22/93/562912293.db2.gz AQQVVUTXWCTOPY-UHFFFAOYSA-N 0 3 547.581 6.942 1 0 KKAFHN C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(NCCN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822684 562914192 /nfs/dbraw/zinc/91/41/92/562914192.db2.gz QTUYPIHERHUIJG-AWEZNQCLSA-N 0 3 510.429 5.922 1 0 KKAFHN CC(C)(C)c1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653887966 562917076 /nfs/dbraw/zinc/91/70/76/562917076.db2.gz FDGHNDMFQXREFC-MHZLTWQESA-N 0 3 512.748 7.249 1 0 KKAFHN Cc1c2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)NCCN(C)C ZINC000653905757 562917595 /nfs/dbraw/zinc/91/75/95/562917595.db2.gz OCFDTBPNDHJIIA-UHFFFAOYSA-N 0 3 526.058 5.082 1 0 KKAFHN COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2N(C)CC3 ZINC000085540988 565139078 /nfs/dbraw/zinc/13/90/78/565139078.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 0 3 638.761 6.868 1 0 biogenic,in-vitro KKAFHN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36CCCC[C@H]3CC[C@@H](C)N6)c(c2-5)[C@@H](O)N4)cc(OCCCO)c1O ZINC000085567446 565142275 /nfs/dbraw/zinc/14/22/75/565142275.db2.gz UEMWGBAMCPCZBU-GULAYAOMSA-N 0 3 688.818 5.599 1 0 biogenic,in-vitro KKAFHN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@@H](C)N6)c(c2-5)[C@H](O)N4)cc(OC2CCCC2)c1O ZINC000085567468 565142306 /nfs/dbraw/zinc/14/23/06/565142306.db2.gz CGLSSYNTFVUCBI-YYBMXEJISA-N 0 3 696.841 6.936 1 0 biogenic,in-vitro KKAFHN CCN[C@]1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCC[C@H](CCC(C)C)C1 ZINC000085567489 565142866 /nfs/dbraw/zinc/14/28/66/565142866.db2.gz FADWQAYVOGEHIV-LOZUDNTASA-N 0 3 688.862 7.121 1 0 biogenic,in-vitro KKAFHN COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098960 565172183 /nfs/dbraw/zinc/17/21/83/565172183.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 0 3 668.787 6.457 1 0 biogenic,in-vitro KKAFHN COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000095919025 565189177 /nfs/dbraw/zinc/18/91/77/565189177.db2.gz KHNITWQNJMUVRC-KYJUHHDHSA-N 0 3 608.735 6.859 1 0 biogenic,in-vitro KKAFHN COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000103570203 565197003 /nfs/dbraw/zinc/19/70/03/565197003.db2.gz KHNITWQNJMUVRC-XZWHSSHBSA-N 0 3 608.735 6.859 1 0 biogenic,in-vitro KKAFHN CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000001486477 561675997 /nfs/dbraw/zinc/67/59/97/561675997.db2.gz YUZYROBUIAUGNA-UHFFFAOYSA-N 0 3 524.690 6.086 1 0 KKAFHN NC(=O)CN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000001535166 561676746 /nfs/dbraw/zinc/67/67/46/561676746.db2.gz MWKJCJFYJWIFLL-JOCHJYFZSA-N 0 3 510.478 5.516 1 0 KKAFHN COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000001546522 561677307 /nfs/dbraw/zinc/67/73/07/561677307.db2.gz GBPBWQGPBSYBOV-QHCPKHFHSA-N 0 3 518.466 5.839 1 0 KKAFHN CCC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546525 561677316 /nfs/dbraw/zinc/67/73/16/561677316.db2.gz VNUCNKCATYSOBV-DEOSSOPVSA-N 0 3 532.493 6.229 1 0 KKAFHN COc1ccc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)c(OC)c1OC ZINC000001631528 561677931 /nfs/dbraw/zinc/67/79/31/561677931.db2.gz IBYUPDOODPVKHJ-NRFANRHFSA-N 0 3 553.677 5.264 1 0 KKAFHN O=C(NCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001857010 561679652 /nfs/dbraw/zinc/67/96/52/561679652.db2.gz KMMHCDBZYFXNIU-UHFFFAOYSA-N 0 3 565.677 5.866 1 0 KKAFHN CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000003929643 561687141 /nfs/dbraw/zinc/68/71/41/561687141.db2.gz INJFMUAVDSEOMZ-RUZDIDTESA-N 0 3 563.783 7.416 1 0 KKAFHN CCCCCc1ccc(CN(C(=Nc2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000003929643 561687143 /nfs/dbraw/zinc/68/71/43/561687143.db2.gz INJFMUAVDSEOMZ-RUZDIDTESA-N 0 3 563.783 7.416 1 0 KKAFHN C[C@H](NC(=O)[C@](Cc1c[nH]c2ccccc12)(CN(C)C)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 ZINC000003936113 561688474 /nfs/dbraw/zinc/68/84/74/561688474.db2.gz WZOWWAMXPMFHTB-ICACTRECSA-N 0 3 538.648 5.561 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000003965115 561691531 /nfs/dbraw/zinc/69/15/31/561691531.db2.gz NCKIFINBXITCQE-OGICNVKRSA-N 0 3 530.668 5.608 1 0 KKAFHN CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(C2CCCC2)c1 ZINC000003987498 561693024 /nfs/dbraw/zinc/69/30/24/561693024.db2.gz HGSCTPUCDDAAQZ-OIDHKYIRSA-N 0 3 679.805 6.953 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3[C@@H]2N)CC1 ZINC000003992284 561693582 /nfs/dbraw/zinc/69/35/82/561693582.db2.gz MRFZKAWUCKFKJV-OCBJUFRSSA-N 0 3 607.239 5.343 1 0 KKAFHN CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)C(F)(F)F)c(OC[C@H]5CCCN5C)c4)nc3c2)ccn1 ZINC000006716045 561702951 /nfs/dbraw/zinc/70/29/51/561702951.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 0 3 590.553 5.981 1 0 KKAFHN COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC ZINC000006716052 561702961 /nfs/dbraw/zinc/70/29/61/561702961.db2.gz NRUKDYLILMOFJD-IBGZPJMESA-N 0 3 561.038 7.056 1 0 KKAFHN CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC000006718447 561703063 /nfs/dbraw/zinc/70/30/63/561703063.db2.gz KWOOBZQKQHYUGT-XMMPIXPASA-N 0 3 520.592 5.264 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4)C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 ZINC000008036013 561704963 /nfs/dbraw/zinc/70/49/63/561704963.db2.gz PSPANKCQVWSVHM-PVVDWXEZSA-N 0 3 504.630 5.094 1 0 KKAFHN CCc1cc(I)c2c(c1)[C@@H](NCCCNc1cc(=O)c3ccccc3[nH]1)CCN2 ZINC000009132639 561708919 /nfs/dbraw/zinc/70/89/19/561708919.db2.gz HXYAFIKGAHUOHV-IBGZPJMESA-N 0 3 502.400 5.056 1 0 KKAFHN COc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013448546 561713349 /nfs/dbraw/zinc/71/33/49/561713349.db2.gz ROIJHJVHNPMWIT-UHFFFAOYSA-N 0 3 515.629 5.138 1 0 KKAFHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000013532198 561717607 /nfs/dbraw/zinc/71/76/07/561717607.db2.gz MKNXUJQNACYJMY-AREMUKBSSA-N 0 3 525.674 6.719 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534576 561717912 /nfs/dbraw/zinc/71/79/12/561717912.db2.gz KBIKENJDJYPBNS-DEOSSOPVSA-N 0 3 511.493 6.223 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013586585 561720530 /nfs/dbraw/zinc/72/05/30/561720530.db2.gz YBCPRAGWOJKBRH-OUDZLNJNSA-N 0 3 514.710 5.352 1 0 KKAFHN Cc1ccc(O)c(N(CCCN2CCC([C@@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000013651775 561723157 /nfs/dbraw/zinc/72/31/57/561723157.db2.gz SIWVJCRPVXMIBY-WJOKGBTCSA-N 0 3 507.118 6.607 1 0 KKAFHN CN1CCCC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccc(I)cc21 ZINC000013674185 561723839 /nfs/dbraw/zinc/72/38/39/561723839.db2.gz KEZJSZDVAAWYLU-HXUWFJFHSA-N 0 3 508.403 6.114 1 0 KKAFHN COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)c2c1 ZINC000013679422 561724533 /nfs/dbraw/zinc/72/45/33/561724533.db2.gz MQAYMGGTPIYIHD-UHFFFAOYSA-N 0 3 519.089 6.588 1 0 KKAFHN O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1 ZINC000013737399 561725642 /nfs/dbraw/zinc/72/56/42/561725642.db2.gz HHWKRRPTCYPMFB-UHFFFAOYSA-N 0 3 503.424 5.526 1 0 KKAFHN COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c5ccc(C(F)(F)F)cc5sc4c3=O)C[C@@H]21 ZINC000013807868 561731622 /nfs/dbraw/zinc/73/16/22/561731622.db2.gz HNZVUWXVRHTZSM-IFXJQAMLSA-N 0 3 515.557 5.006 1 0 KKAFHN O=C(CCCN1CCN(c2cccc3ccccc32)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820054 561732619 /nfs/dbraw/zinc/73/26/19/561732619.db2.gz SBEDHCDTAPBZRV-JBGGTMNVSA-N 0 3 513.751 6.512 1 0 KKAFHN O=C(c1c(-c2ccc(O)cc2)sc2cc(O)c3ccccc3c21)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834300 561734086 /nfs/dbraw/zinc/73/40/86/561734086.db2.gz CHWJUHSQSHCNTN-UHFFFAOYSA-N 0 3 523.654 7.228 1 0 KKAFHN CCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834308 561734089 /nfs/dbraw/zinc/73/40/89/561734089.db2.gz JMSHBDSUSOGKTP-UHFFFAOYSA-N 0 3 513.703 7.712 1 0 KKAFHN NC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834323 561734177 /nfs/dbraw/zinc/73/41/77/561734177.db2.gz QRCRFTCFYITDSV-UHFFFAOYSA-N 0 3 500.620 5.469 1 0 KKAFHN CC(=O)N(CCCCSc1c2ccccc2nc2c1CCCC2)CCCNc1c2ccccc2nc2c1CCCC2 ZINC000014946289 561743464 /nfs/dbraw/zinc/74/34/64/561743464.db2.gz WMLGPNPGGGQPET-UHFFFAOYSA-N 0 3 566.815 7.764 1 0 KKAFHN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@H](O)C4)cc3F)cc12 ZINC000014951164 561745991 /nfs/dbraw/zinc/74/59/91/561745991.db2.gz HQBRJIGJLJDFHY-IBGZPJMESA-N 0 3 580.542 5.240 1 0 KKAFHN O=C(NC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959701 561748190 /nfs/dbraw/zinc/74/81/90/561748190.db2.gz VGXIAQUUVIGDPS-UHFFFAOYSA-N 0 3 518.042 5.853 1 0 KKAFHN c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c32)cc1 ZINC000014965393 561749616 /nfs/dbraw/zinc/74/96/16/561749616.db2.gz QKKHXTGUTLRIAS-UHFFFAOYSA-N 0 3 518.661 7.076 1 0 KKAFHN CN(C)CCOc1ccc(-c2nn3c(nc(C(F)(F)F)cc3C(F)(F)F)c2-c2ccc(O)cc2)cc1 ZINC000014970958 561751106 /nfs/dbraw/zinc/75/11/06/561751106.db2.gz LJLNVVPIWMIDOU-UHFFFAOYSA-N 0 3 510.438 5.747 1 0 KKAFHN COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655085 561757764 /nfs/dbraw/zinc/75/77/64/561757764.db2.gz ZDBKWMSLDSBPEF-CLJLJLNGSA-N 0 3 604.744 5.854 1 0 KKAFHN COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654986 561757777 /nfs/dbraw/zinc/75/77/77/561757777.db2.gz NDPZVFGDWNTQOK-KAYWLYCHSA-N 0 3 618.771 6.245 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000022454001 561759349 /nfs/dbraw/zinc/75/93/49/561759349.db2.gz RYUYDSMTRQCJHP-VXKWHMMOSA-N 0 3 545.509 5.280 1 0 KKAFHN O[C@H](CNc1ccc(Cl)cc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941092 561761071 /nfs/dbraw/zinc/76/10/71/561761071.db2.gz UWCWXVUOPMHJCE-MUUNZHRXSA-N 0 3 514.060 5.621 1 0 KKAFHN COc1cc2nccc(Oc3ccc4[nH]c(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)nc4c3)c2cc1OC ZINC000023359459 561762090 /nfs/dbraw/zinc/76/20/90/561762090.db2.gz GZXULZRBYRVYLK-UHFFFAOYSA-N 0 3 559.070 6.065 1 0 KKAFHN COc1cc2nccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)[nH]c4c3)c2cc1OC ZINC000023359459 561762092 /nfs/dbraw/zinc/76/20/92/561762092.db2.gz GZXULZRBYRVYLK-UHFFFAOYSA-N 0 3 559.070 6.065 1 0 KKAFHN CN(C)Cc1oc2ccccc2c1C[C@](C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 ZINC000026153014 561767994 /nfs/dbraw/zinc/76/79/94/561767994.db2.gz BUEBEWBKGTZUAF-IEGZHYQVSA-N 0 3 557.735 5.705 1 0 KKAFHN c1cc2c(NCCCN3CCN(CCCNc4nc5ccccc5n5cccc45)CC3)nc3ccccc3n2c1 ZINC000026144729 561767066 /nfs/dbraw/zinc/76/70/66/561767066.db2.gz SEBCNQGDCFBGNY-UHFFFAOYSA-N 0 3 532.696 5.210 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000026147084 561767302 /nfs/dbraw/zinc/76/73/02/561767302.db2.gz WXNBPORPPAPHMU-DHUJRADRSA-N 0 3 634.827 6.539 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166959 561769313 /nfs/dbraw/zinc/76/93/13/561769313.db2.gz RSPWHGICVNMFPG-ZJSXRUAMSA-N 0 3 504.652 5.097 1 0 KKAFHN COc1ccc([C@@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271334 561777366 /nfs/dbraw/zinc/77/73/66/561777366.db2.gz HCJPKEPIBGVGBG-JGCGQSQUSA-N 0 3 535.750 7.482 1 0 KKAFHN COc1ccc([C@H](CCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026274494 561777891 /nfs/dbraw/zinc/77/78/91/561777891.db2.gz ADNUKJKNFPTGRR-XIFFEERXSA-N 0 3 549.777 7.872 1 0 KKAFHN CCCCCS[C@@H](CCCCCN1CCc2cc(OC)c(OC)cc2C1)c1ccc(OC)c(OC)c1 ZINC000026275434 561778006 /nfs/dbraw/zinc/77/80/06/561778006.db2.gz JHMLCLNXGMKKNW-PMERELPUSA-N 0 3 515.760 7.304 1 0 KKAFHN CCCN(C(=O)N(C)Cc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497183 561794559 /nfs/dbraw/zinc/79/45/59/561794559.db2.gz KAPOEWFIQGCQKJ-HKBQPEDESA-N 0 3 590.834 5.909 1 0 KKAFHN Cc1cccc(CCN[C@@H](C)c2cccc(COc3nn4c(nnc4C(F)(F)F)c4ccccc43)n2)c1 ZINC000026502742 561795933 /nfs/dbraw/zinc/79/59/33/561795933.db2.gz BNFDLMAILPXQNE-SFHVURJKSA-N 0 3 506.532 5.472 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026567668 561797383 /nfs/dbraw/zinc/79/73/83/561797383.db2.gz ZXGGAWLLOZVQTA-GDLZYMKVSA-N 0 3 563.764 5.604 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000026577623 561801984 /nfs/dbraw/zinc/80/19/84/561801984.db2.gz DZHOQJKKFCAFHT-PQZOHRHNSA-N 0 3 551.580 6.489 1 0 KKAFHN O=[S@@]1CC2(CCN(CC[C@H](COCc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026579496 561804907 /nfs/dbraw/zinc/80/49/07/561804907.db2.gz CBMMNOSYXCNURZ-COOREUGTSA-N 0 3 528.545 6.839 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1 ZINC000026580115 561805515 /nfs/dbraw/zinc/80/55/15/561805515.db2.gz RNOFTLUOCWYLNW-HRDYMXONSA-N 0 3 584.613 6.810 1 0 KKAFHN C[C@H](C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O)OCc1ccccc1 ZINC000026645343 561807416 /nfs/dbraw/zinc/80/74/16/561807416.db2.gz HGHGMMHXNFVBOD-QRRWFCJLSA-N 0 3 657.819 5.862 1 0 KKAFHN C[C@H](C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O)OCc1ccccc1 ZINC000026645343 561807418 /nfs/dbraw/zinc/80/74/18/561807418.db2.gz HGHGMMHXNFVBOD-QRRWFCJLSA-N 0 3 657.819 5.862 1 0 KKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1 ZINC000026651010 561808287 /nfs/dbraw/zinc/80/82/87/561808287.db2.gz UOHHUHYDRQINME-HTMZANKASA-N 0 3 536.503 5.675 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Br)cc2ccccc21 ZINC000026659286 561810056 /nfs/dbraw/zinc/81/00/56/561810056.db2.gz NUKZUQXYNIFDJX-MSYMSKFLSA-N 0 3 686.543 8.772 1 0 KKAFHN COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc43)C[C@@H]2c2ccccc2)CC1 ZINC000026664977 561810978 /nfs/dbraw/zinc/81/09/78/561810978.db2.gz XYUPLSIDDGFHPC-RYCFQHDISA-N 0 3 553.747 6.419 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(COC(=O)CCN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674925 561813799 /nfs/dbraw/zinc/81/37/99/561813799.db2.gz OLDPWFNVRMMJAT-UHFFFAOYSA-N 0 3 564.130 5.975 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719274 561814790 /nfs/dbraw/zinc/81/47/90/561814790.db2.gz SDNQSSKDJAHSSB-UHFFFAOYSA-N 0 3 659.278 7.963 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@@H](C)[NH2+]C[C@@H]3C)c2c1 ZINC000026726693 561816080 /nfs/dbraw/zinc/81/60/80/561816080.db2.gz QJQOECNRYHAQBH-CABCVRRESA-N 0 3 501.077 5.399 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026730623 561816686 /nfs/dbraw/zinc/81/66/86/561816686.db2.gz KTXWLWWFYDYESF-OUDZLNJNSA-N 0 3 520.629 5.152 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026735678 561817364 /nfs/dbraw/zinc/81/73/64/561817364.db2.gz UWZCXFMGRUEOHE-YBLJPNGSSA-N 0 3 520.629 5.152 1 0 KKAFHN CC(C)([NH3+])CCS[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026826584 561822072 /nfs/dbraw/zinc/82/20/72/561822072.db2.gz DYQSKNXPPMLAQL-SANMLTNESA-N 0 3 512.683 5.242 1 0 KKAFHN CC(C)([NH3+])CCS[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026826584 561822073 /nfs/dbraw/zinc/82/20/73/561822073.db2.gz DYQSKNXPPMLAQL-SANMLTNESA-N 0 3 512.683 5.242 1 0 KKAFHN COc1ccc(CSC[C@@H](N)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1 ZINC000026751098 561819711 /nfs/dbraw/zinc/81/97/11/561819711.db2.gz HQBPLAXDCKDONK-HHHXNRCGSA-N 0 3 534.125 5.527 1 0 KKAFHN O=C1CC2(CCN(CC[C@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833537 561823544 /nfs/dbraw/zinc/82/35/44/561823544.db2.gz VVPDJLRPPVILJY-VAVYLYDRSA-N 0 3 556.106 5.597 1 0 KKAFHN CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)Nc1ccc2ccccc2n1 ZINC000026849870 561827089 /nfs/dbraw/zinc/82/70/89/561827089.db2.gz UNEUHPAMWQZDRU-LGCKKZMSSA-N 0 3 669.911 5.719 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2cc(-c3ccccc3-c3nnn[n-]3)cs2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026955790 561829227 /nfs/dbraw/zinc/82/92/27/561829227.db2.gz UAGVBZUKAXYUQM-NDEPHWFRSA-N 0 3 569.735 5.237 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2cc(-c3ccccc3-c3nn[n-]n3)cs2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026955790 561829228 /nfs/dbraw/zinc/82/92/28/561829228.db2.gz UAGVBZUKAXYUQM-NDEPHWFRSA-N 0 3 569.735 5.237 1 0 KKAFHN CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CCc3ccccc3)C[C@@H]2C)cc1 ZINC000026955346 561829234 /nfs/dbraw/zinc/82/92/34/561829234.db2.gz MYPRPKLBINTPDI-SZZWIKJPSA-N 0 3 513.726 5.904 1 0 KKAFHN CCOC(=O)C1C(C)=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1C(F)(F)F ZINC000026979320 561831194 /nfs/dbraw/zinc/83/11/94/561831194.db2.gz SIIMYHKMMDKZOK-NXLSWJSLSA-N 0 3 561.626 6.415 1 0 KKAFHN Cc1noc(C)c1CNCC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1 ZINC000027096157 561837975 /nfs/dbraw/zinc/83/79/75/561837975.db2.gz PURARAFMFBMOOV-UHFFFAOYSA-N 0 3 559.795 7.459 1 0 KKAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105035 561839843 /nfs/dbraw/zinc/83/98/43/561839843.db2.gz PCDOWAYMDIDVIY-LJAQVGFWSA-N 0 3 665.279 5.030 1 0 KKAFHN CC(C)C[C@H](N)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027181860 561841876 /nfs/dbraw/zinc/84/18/76/561841876.db2.gz WLIMHZYQJNAZBO-UMSFTDKQSA-N 0 3 707.847 7.151 1 0 KKAFHN CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCN(C2CCCCC2)CC1 ZINC000027517330 561861089 /nfs/dbraw/zinc/86/10/89/561861089.db2.gz CBPSLOOFWLIHIO-LJAQVGFWSA-N 0 3 608.671 6.768 1 0 KKAFHN CN(C[C@@H](c1cccc2c1OCO2)N1CCN(C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518123 561862004 /nfs/dbraw/zinc/86/20/04/561862004.db2.gz HHQOEPKLIPHRNY-VWLOTQADSA-N 0 3 599.616 6.145 1 0 KKAFHN COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000027518303 561862118 /nfs/dbraw/zinc/86/21/18/561862118.db2.gz KNMZNGOPLMOVFC-MUUNZHRXSA-N 0 3 605.623 5.918 1 0 KKAFHN COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000027518304 561862142 /nfs/dbraw/zinc/86/21/42/561862142.db2.gz KNMZNGOPLMOVFC-NDEPHWFRSA-N 0 3 605.623 5.918 1 0 KKAFHN O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027551422 561868029 /nfs/dbraw/zinc/86/80/29/561868029.db2.gz FMXLYBQQAIUKMP-UHFFFAOYSA-N 0 3 547.621 5.869 1 0 KKAFHN CCCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c(-c2ccccc2)cn(Cc2ccccc2)c1[C@@H]3O5 ZINC000027618565 561872138 /nfs/dbraw/zinc/87/21/38/561872138.db2.gz RASYJBAUQKYAME-XZLGBSMGSA-N 0 3 518.657 5.608 1 0 KKAFHN Fc1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)Cc2ccc(F)cc2)cc1 ZINC000027636767 561874618 /nfs/dbraw/zinc/87/46/18/561874618.db2.gz IUUONQCDOYTTHZ-UHFFFAOYSA-N 0 3 578.151 6.679 1 0 KKAFHN CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)NCCNCC(N)=O)C1 ZINC000027653585 561877080 /nfs/dbraw/zinc/87/70/80/561877080.db2.gz WNTHOKBCZNRPBB-YZNIXAGQSA-N 0 3 641.257 5.079 1 0 KKAFHN CSC(C)(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027657266 561878072 /nfs/dbraw/zinc/87/80/72/561878072.db2.gz ARBFDFUYDDALSU-GIKUREFASA-N 0 3 701.978 5.359 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc1)CC2 ZINC000027657794 561878335 /nfs/dbraw/zinc/87/83/35/561878335.db2.gz AEXVPZYELNSRFS-UHFFFAOYSA-N 0 3 535.644 5.809 1 0 in-vivo KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(C)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658006 561878430 /nfs/dbraw/zinc/87/84/30/561878430.db2.gz RNWITDSGQWLWQU-UHFFFAOYSA-N 0 3 600.719 6.666 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027710048 561879533 /nfs/dbraw/zinc/87/95/33/561879533.db2.gz TZASTBIDWCFCGN-UHFFFAOYSA-N 0 3 586.692 6.357 1 0 in-vivo KKAFHN O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027856034 561886491 /nfs/dbraw/zinc/88/64/91/561886491.db2.gz VEFNOXUMCKBHJC-YTTGMZPUSA-N 0 3 634.202 5.276 1 0 KKAFHN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3ccccc3C)CC1)(c1ccc(F)cc1)OCC2 ZINC000027889688 561889837 /nfs/dbraw/zinc/88/98/37/561889837.db2.gz XPBIPWRGNPLCGP-HKBQPEDESA-N 0 3 504.646 5.570 1 0 KKAFHN COc1cc2c(cc1OCCN(CCO)CCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027990674 561893089 /nfs/dbraw/zinc/89/30/89/561893089.db2.gz LTMSBTWMKOQROE-UHFFFAOYSA-N 0 3 545.680 5.742 1 0 KKAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000027999892 561894542 /nfs/dbraw/zinc/89/45/42/561894542.db2.gz HFTDAWJFAQMENN-BLPPHFNDSA-N 0 3 625.187 5.335 1 0 KKAFHN COc1ccc(OCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028000623 561894723 /nfs/dbraw/zinc/89/47/23/561894723.db2.gz YHANNGGLPWSWDN-WJOKGBTCSA-N 0 3 530.690 6.216 1 0 KKAFHN COc1ccc(OCCCCN2CCN(CCc3cc(OC)c(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C=O)c1 ZINC000028006028 561895631 /nfs/dbraw/zinc/89/56/31/561895631.db2.gz LJXKIMGZTFCYDE-UUWRZZSWSA-N 0 3 621.800 5.508 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028006853 561895678 /nfs/dbraw/zinc/89/56/78/561895678.db2.gz WYTXVYFAHIKUPX-JGCGQSQUSA-N 0 3 579.162 7.260 1 0 KKAFHN CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008519 561896016 /nfs/dbraw/zinc/89/60/16/561896016.db2.gz ABASHAPKXWJBNZ-VUHKNJSWSA-N 0 3 568.806 6.422 1 0 KKAFHN CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008519 561896018 /nfs/dbraw/zinc/89/60/18/561896018.db2.gz ABASHAPKXWJBNZ-VUHKNJSWSA-N 0 3 568.806 6.422 1 0 KKAFHN Cn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008894 561896058 /nfs/dbraw/zinc/89/60/58/561896058.db2.gz NMBWUFYTQZILMB-VUHKNJSWSA-N 0 3 568.806 6.134 1 0 KKAFHN Cn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008894 561896060 /nfs/dbraw/zinc/89/60/60/561896060.db2.gz NMBWUFYTQZILMB-VUHKNJSWSA-N 0 3 568.806 6.134 1 0 KKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@@H]2Sc3ccccc3N2C=O)c1 ZINC000028008865 561896122 /nfs/dbraw/zinc/89/61/22/561896122.db2.gz ZWOQMOJOUOIONP-HKBQPEDESA-N 0 3 548.680 6.356 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC[C@@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000028217969 561907045 /nfs/dbraw/zinc/90/70/45/561907045.db2.gz RWAXNKUPBSKCHC-RUZDIDTESA-N 0 3 509.593 5.593 1 0 KKAFHN COc1cc(Cc2c3ccc(N)cc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028225159 561907794 /nfs/dbraw/zinc/90/77/94/561907794.db2.gz VPZXIEQNEJINFY-UHFFFAOYSA-N 0 3 557.760 6.057 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S@@](=O)C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028244698 561910693 /nfs/dbraw/zinc/91/06/93/561910693.db2.gz KLMLMBZALYAYAZ-XIILWLOFSA-N 0 3 595.687 5.934 1 0 KKAFHN CC(C)N(CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)Cc1ccccc1)C(C)C ZINC000028332019 561912949 /nfs/dbraw/zinc/91/29/49/561912949.db2.gz UUARZGDHGBOXLA-WJOKGBTCSA-N 0 3 591.774 5.135 1 0 KKAFHN CC(=O)[C@@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 ZINC000028340840 561914023 /nfs/dbraw/zinc/91/40/23/561914023.db2.gz YZNDAQVUGOIYLF-CZNDPXEESA-N 0 3 569.746 5.299 1 0 KKAFHN CO[P@](=O)(CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236801 561909777 /nfs/dbraw/zinc/90/97/77/561909777.db2.gz RPBLAMOSILDGGB-SHLBTRJHSA-N 0 3 556.659 5.447 1 0 KKAFHN CO[P@](=O)(CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236801 561909778 /nfs/dbraw/zinc/90/97/78/561909778.db2.gz RPBLAMOSILDGGB-SHLBTRJHSA-N 0 3 556.659 5.447 1 0 KKAFHN CCCN1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028347237 561915024 /nfs/dbraw/zinc/91/50/24/561915024.db2.gz TXMYNHMEJQOXEL-UHFFFAOYSA-N 0 3 515.601 6.222 1 0 KKAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)[C@H](O)c1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028354496 561916041 /nfs/dbraw/zinc/91/60/41/561916041.db2.gz HTOZTDPNNYZTSI-VFOLAFRDSA-N 0 3 535.773 5.246 1 0 KKAFHN Cc1ccc(Cl)c(OC2([C@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)N(C)C)CCCCC2)c1 ZINC000028356105 561916243 /nfs/dbraw/zinc/91/62/43/561916243.db2.gz LQXZWLDWDGUVKO-MHZLTWQESA-N 0 3 511.110 5.640 1 0 KKAFHN Cc1c(-c2csc(-c3ccc(F)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028360732 561916725 /nfs/dbraw/zinc/91/67/25/561916725.db2.gz QNGXNBXGSZLROB-DEOSSOPVSA-N 0 3 548.590 5.275 1 0 KKAFHN Cc1c(-c2csc(Nc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028374165 561918914 /nfs/dbraw/zinc/91/89/14/561918914.db2.gz HPRZHXOYEKMMAR-DEOSSOPVSA-N 0 3 545.615 5.212 1 0 KKAFHN CN1CC[C@H]([N@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028379898 561919982 /nfs/dbraw/zinc/91/99/82/561919982.db2.gz BXBBTGROZZZYEE-SFHVURJKSA-N 0 3 568.061 5.650 1 0 KKAFHN CN1CC[C@H]([N@@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])C1 ZINC000028379898 561919983 /nfs/dbraw/zinc/91/99/83/561919983.db2.gz BXBBTGROZZZYEE-SFHVURJKSA-N 0 3 568.061 5.650 1 0 KKAFHN O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028386552 561921228 /nfs/dbraw/zinc/92/12/28/561921228.db2.gz YIASALHPWOWEBM-UHFFFAOYSA-N 0 3 671.185 7.613 1 0 KKAFHN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)CN1CCSCC1 ZINC000028389154 561921788 /nfs/dbraw/zinc/92/17/88/561921788.db2.gz UGGXSVBEXQDAJA-OAHLLOKOSA-N 0 3 531.021 5.075 1 0 KKAFHN COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN1CCCCC1 ZINC000028392427 561922473 /nfs/dbraw/zinc/92/24/73/561922473.db2.gz GLYCOPUOGKGJKU-UHFFFAOYSA-N 0 3 597.720 5.039 1 0 KKAFHN CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028457615 561924139 /nfs/dbraw/zinc/92/41/39/561924139.db2.gz NIUSUERMVMTRCX-UHFFFAOYSA-N 0 3 518.627 7.677 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[C@@H]2N)CC1 ZINC000028464407 561926024 /nfs/dbraw/zinc/92/60/24/561926024.db2.gz XLDGDUSCVKLZIR-RWSKJCERSA-N 0 3 621.266 5.213 1 0 KKAFHN O=C1N(CCN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1 ZINC000028520647 561928966 /nfs/dbraw/zinc/92/89/66/561928966.db2.gz JMZQVZXDDGZTNB-UHFFFAOYSA-N 0 3 527.068 6.225 1 0 KKAFHN CC(=O)Nc1ccc(-c2csc(Cc3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 ZINC000028523067 561929887 /nfs/dbraw/zinc/92/98/87/561929887.db2.gz NEJCBINLDBVJRU-XIFFEERXSA-N 0 3 626.804 6.026 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCC3CCCC3)cs2)cc1 ZINC000028523592 561930285 /nfs/dbraw/zinc/93/02/85/561930285.db2.gz RSMZYDHCSCEXJF-YTTGMZPUSA-N 0 3 589.827 6.523 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cnc4ccccc4c3)cs2)cc1 ZINC000028524037 561930647 /nfs/dbraw/zinc/93/06/47/561930647.db2.gz WOMSAMQUKONRNK-UMSFTDKQSA-N 0 3 620.800 6.616 1 0 KKAFHN COc1ccc(-c2cc(SC)n(-c3nc(N4CCN(Cc5ccccc5)CC4)nc(N4CCN(Cc5ccccc5)CC4)n3)n2)cc1OC ZINC000028527127 561932417 /nfs/dbraw/zinc/93/24/17/561932417.db2.gz REIDTCHJGMUOJN-UHFFFAOYSA-N 0 3 677.879 5.108 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc(CN3CC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571238 561939265 /nfs/dbraw/zinc/93/92/65/561939265.db2.gz NKEZCSVNPKYVIB-UHFFFAOYSA-N 0 3 562.600 5.003 1 0 KKAFHN COc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)c1 ZINC000028572263 561939862 /nfs/dbraw/zinc/93/98/62/561939862.db2.gz UDRPONFHRUHHQA-OROMBRFGSA-N 0 3 548.625 5.445 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028646369 561945108 /nfs/dbraw/zinc/94/51/08/561945108.db2.gz MZRITYKFWALVDP-UUWRZZSWSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646382 561945117 /nfs/dbraw/zinc/94/51/17/561945117.db2.gz VDJPVMKXBQABSL-UUWRZZSWSA-N 0 3 546.750 5.949 1 0 KKAFHN COc1ccc(C(c2ccc(OC)cc2)=C2C[C@H](c3ccc(OCCN(C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604466 561940643 /nfs/dbraw/zinc/94/06/43/561940643.db2.gz MDAWDMHTRPPIJM-MGBGTMOVSA-N 0 3 551.683 7.136 1 0 KKAFHN Cc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636903 561941450 /nfs/dbraw/zinc/94/14/50/561941450.db2.gz WZBLFSBEHKJWHC-GDLZYMKVSA-N 0 3 534.708 5.429 1 0 KKAFHN CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@](C)=O)cc3)n2CCN2CCCCC2)ccn1 ZINC000028636687 561941490 /nfs/dbraw/zinc/94/14/90/561941490.db2.gz XFLRINGJGXUMHW-VQJSHJPSSA-N 0 3 591.778 6.225 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646350 561945175 /nfs/dbraw/zinc/94/51/75/561945175.db2.gz PAVIGVDFHAXYTL-UUWRZZSWSA-N 0 3 546.750 5.949 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21 ZINC000028643140 561944045 /nfs/dbraw/zinc/94/40/45/561944045.db2.gz RWSNBZPLWHLFHV-KAYWLYCHSA-N 0 3 605.654 5.490 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(OC(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646427 561945353 /nfs/dbraw/zinc/94/53/53/561945353.db2.gz VYSCESBFRQRQCI-UUWRZZSWSA-N 0 3 612.756 6.709 1 0 KKAFHN CCN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646150 561944681 /nfs/dbraw/zinc/94/46/81/561944681.db2.gz ZVQKMPSKLZYTED-JGCGQSQUSA-N 0 3 502.722 5.298 1 0 KKAFHN CCCN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646152 561944715 /nfs/dbraw/zinc/94/47/15/561944715.db2.gz PUOFIUKMNQWOPF-XIFFEERXSA-N 0 3 516.749 5.688 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(Cl)cc2)CC1 ZINC000028646195 561944754 /nfs/dbraw/zinc/94/47/54/561944754.db2.gz NJQRVTFMTFWWTH-WJOKGBTCSA-N 0 3 505.150 5.422 1 0 KKAFHN CCCN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646155 561944784 /nfs/dbraw/zinc/94/47/84/561944784.db2.gz PUOFIUKMNQWOPF-MGBGTMOVSA-N 0 3 516.749 5.688 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028646228 561944883 /nfs/dbraw/zinc/94/48/83/561944883.db2.gz IHHDHTXBALMXOF-HKBQPEDESA-N 0 3 538.702 5.788 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccccc2Br)CC1 ZINC000028646198 561944914 /nfs/dbraw/zinc/94/49/14/561944914.db2.gz DHBLNDNHOSFWJG-HKBQPEDESA-N 0 3 549.601 5.531 1 0 KKAFHN CN(C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2cc(Cl)nc(Cl)c2)CC3)c1 ZINC000028650188 561945922 /nfs/dbraw/zinc/94/59/22/561945922.db2.gz RKIZEMGGSLKGQX-ZLZBJJAKSA-N 0 3 608.636 5.466 1 0 KKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(N(CCN4CCCC4)C(=O)c4ccccc4)c3)nnc2c1 ZINC000028702873 561947440 /nfs/dbraw/zinc/94/74/40/561947440.db2.gz PUMXEUMJPWUEQO-UHFFFAOYSA-N 0 3 556.714 7.103 1 0 KKAFHN CN1CCN(CCCCOc2ccc(-c3cc(-c4cccc(Cl)c4)nc4c3CC(=O)Nc3ccccc3-4)cc2)CC1 ZINC000028704158 561948396 /nfs/dbraw/zinc/94/83/96/561948396.db2.gz OFRBUOPHDSHXIY-UHFFFAOYSA-N 0 3 567.133 6.637 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cncc(OC)c5)cc4)CC3)C2=O)c1 ZINC000028704502 561948707 /nfs/dbraw/zinc/94/87/07/561948707.db2.gz GMAUZWFHZJGCSP-UHFFFAOYSA-N 0 3 580.660 5.909 1 0 KKAFHN CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028758701 561957389 /nfs/dbraw/zinc/95/73/89/561957389.db2.gz INBHEMVZSGTLCO-UHFFFAOYSA-N 0 3 554.404 7.016 1 0 KKAFHN CC(C)[C@@H](N)C(=O)Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711866 561952411 /nfs/dbraw/zinc/95/24/11/561952411.db2.gz RGCRRRXBLPVENP-GDLZYMKVSA-N 0 3 523.681 6.667 1 0 KKAFHN Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000028711928 561952640 /nfs/dbraw/zinc/95/26/40/561952640.db2.gz MNVDKXPJRHTVKG-NRFANRHFSA-N 0 3 540.029 7.357 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc(OC(F)(F)F)c1 ZINC000028714039 561954496 /nfs/dbraw/zinc/95/44/96/561954496.db2.gz HRIRMMAVRJBHLX-UHFFFAOYSA-N 0 3 550.025 5.027 1 0 KKAFHN c1ccc(C(CN2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816189 561963976 /nfs/dbraw/zinc/96/39/76/561963976.db2.gz ZTEXVRHCXLULPT-GYOJGHLZSA-N 0 3 624.825 8.433 1 0 KKAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817311 561964658 /nfs/dbraw/zinc/96/46/58/561964658.db2.gz NONROIXFLUILLP-LBFZIJHGSA-N 0 3 706.296 5.541 1 0 KKAFHN COC(=O)c1oc2cc(F)ccc2c1C1CCN(C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824378 561969533 /nfs/dbraw/zinc/96/95/33/561969533.db2.gz KHQBPFWJMSVKLA-XMMPIXPASA-N 0 3 642.650 5.386 1 0 KKAFHN COC(=O)c1sc2cc(F)ccc2c1C1CCN(C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824387 561969558 /nfs/dbraw/zinc/96/95/58/561969558.db2.gz DZNAVKWCMXJPNV-HSZRJFAPSA-N 0 3 694.773 5.268 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 ZINC000028825773 561970953 /nfs/dbraw/zinc/97/09/53/561970953.db2.gz GWQJQMUYAJRYAV-AZGAKELHSA-N 0 3 565.080 5.287 1 0 KKAFHN Cc1c2ccccc2sc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2CC2CCCCC2)C1 ZINC000028864157 561972700 /nfs/dbraw/zinc/97/27/00/561972700.db2.gz LSHRYESREHPTKJ-UHFFFAOYSA-N 0 3 585.818 5.241 1 0 KKAFHN CCCCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874919 561975447 /nfs/dbraw/zinc/97/54/47/561975447.db2.gz RHXCECMKFJHNGV-LJAQVGFWSA-N 0 3 550.744 5.167 1 0 KKAFHN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cc(OCCN3CCCCC3)ccc2[nH]c1-c1ccccc1 ZINC000028892255 561978273 /nfs/dbraw/zinc/97/82/73/561978273.db2.gz QCKGPLDJMIKRJD-XMMPIXPASA-N 0 3 525.693 6.085 1 0 KKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2c1 ZINC000028967702 561985360 /nfs/dbraw/zinc/98/53/60/561985360.db2.gz HMLAFIOESYVCJA-UHFFFAOYSA-N 0 3 548.590 6.240 1 0 KKAFHN CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2ccccc2)c1 ZINC000028968354 561985473 /nfs/dbraw/zinc/98/54/73/561985473.db2.gz QVSYCYGRFYNDEY-QKUWUUDNSA-N 0 3 639.796 6.539 1 0 KKAFHN Nc1ccccc1NC(=O)c1cc2ccc([C@@H](NCCc3ccncc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976358 561986835 /nfs/dbraw/zinc/98/68/35/561986835.db2.gz PBWSJHXWVMJUOO-GDLZYMKVSA-N 0 3 535.673 5.321 1 0 KKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5ncc6c5ncnc6N)CC4)cc3)nc2n1 ZINC000029037319 561988450 /nfs/dbraw/zinc/98/84/50/561988450.db2.gz MAMNMVNADHVXSH-UHFFFAOYSA-N 0 3 559.703 5.640 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C[S@](=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039294 561989582 /nfs/dbraw/zinc/98/95/82/561989582.db2.gz TVUMGACZYNEAHR-SUUTYIOQSA-N 0 3 556.094 5.216 1 0 KKAFHN CN(C)CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000029048276 561993439 /nfs/dbraw/zinc/99/34/39/561993439.db2.gz AUSYXSAYCHFBCG-UHFFFAOYSA-N 0 3 570.477 5.350 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cocn4)c3=O)CC2)C(C)C)c1 ZINC000029061972 561995922 /nfs/dbraw/zinc/99/59/22/561995922.db2.gz TUJJXSMSKFHTFP-NDEPHWFRSA-N 0 3 518.658 5.287 1 0 KKAFHN Cn1c2cc(CCCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000029126854 561999132 /nfs/dbraw/zinc/99/91/32/561999132.db2.gz WCRUEPKTOWQCQO-UHFFFAOYSA-N 0 3 502.014 5.660 1 0 KKAFHN COc1ccc([C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127063 561999372 /nfs/dbraw/zinc/99/93/72/561999372.db2.gz PHOVRFFBNBIKQH-HMINTENPSA-N 0 3 505.618 5.032 1 0 KKAFHN Cn1c2cc(OCCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000029127166 561999509 /nfs/dbraw/zinc/99/95/09/561999509.db2.gz SJIUAJVZBGNRFY-UHFFFAOYSA-N 0 3 503.986 5.106 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127465 561999873 /nfs/dbraw/zinc/99/98/73/561999873.db2.gz RLYPJRVMOKDHBV-UHFFFAOYSA-N 0 3 540.737 5.286 1 0 KKAFHN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCCCC3)C2)cc1 ZINC000029128157 562000539 /nfs/dbraw/zinc/00/05/39/562000539.db2.gz DOLSDPWCNNSYNQ-YTTGMZPUSA-N 0 3 562.755 5.815 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)CCc4ccc(F)c(F)c4)ccc3oc2=O)cc1 ZINC000029130309 562002420 /nfs/dbraw/zinc/00/24/20/562002420.db2.gz VXLNOYAINXJRCV-UHFFFAOYSA-N 0 3 596.674 6.888 1 0 KKAFHN COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000029133367 562003691 /nfs/dbraw/zinc/00/36/91/562003691.db2.gz WUCNLBAXCJABQR-UHFFFAOYSA-N 0 3 505.058 6.659 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000029215134 562006379 /nfs/dbraw/zinc/00/63/79/562006379.db2.gz OXSCWQUFMCTAJL-RWYGWLOXSA-N 0 3 743.909 5.404 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000029215142 562006417 /nfs/dbraw/zinc/00/64/17/562006417.db2.gz OXSCWQUFMCTAJL-VQJSHJPSSA-N 0 3 743.909 5.404 1 0 KKAFHN CCc1sc(CCc2cc(OC(CC)CC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029470440 562025427 /nfs/dbraw/zinc/02/54/27/562025427.db2.gz CQBWKRQJPJUWGX-UHFFFAOYSA-N 0 3 559.176 7.984 1 0 KKAFHN O=C1N(COCc2ccccc2)CN(c2ccccc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029479781 562027018 /nfs/dbraw/zinc/02/70/18/562027018.db2.gz NTHIRIXYFVSLSL-UHFFFAOYSA-N 0 3 596.722 6.808 1 0 KKAFHN CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553773 562031699 /nfs/dbraw/zinc/03/16/99/562031699.db2.gz WKQSQQHHTZBHTH-NGDRWEMDSA-N 0 3 601.754 5.842 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)CCC3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029555092 562031949 /nfs/dbraw/zinc/03/19/49/562031949.db2.gz XYVHGSPNHFSKDW-PMERELPUSA-N 0 3 532.706 5.773 1 0 KKAFHN COc1cc(NCCCCCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c2nccc(C)c2c1 ZINC000029562664 562033563 /nfs/dbraw/zinc/03/35/63/562033563.db2.gz REQVUCLZYUWCDA-UHFFFAOYSA-N 0 3 566.790 6.948 1 0 KKAFHN COc1cc(NCCCCCCN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccc(C)c2c1 ZINC000029566270 562034482 /nfs/dbraw/zinc/03/44/82/562034482.db2.gz IJQXIYANWHOYEK-UMSFTDKQSA-N 0 3 557.182 7.585 1 0 KKAFHN COc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000029568268 562034923 /nfs/dbraw/zinc/03/49/23/562034923.db2.gz XJPBQLMSTXKBKW-UHFFFAOYSA-N 0 3 518.633 5.369 1 0 KKAFHN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503566 562037383 /nfs/dbraw/zinc/03/73/83/562037383.db2.gz FSIBUKMTKYVVLL-PVTPYKNESA-N 0 3 500.687 5.005 1 0 KKAFHN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503566 562037385 /nfs/dbraw/zinc/03/73/85/562037385.db2.gz FSIBUKMTKYVVLL-PVTPYKNESA-N 0 3 500.687 5.005 1 0 KKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(C(F)(F)F)cc1 ZINC000034039003 562038064 /nfs/dbraw/zinc/03/80/64/562038064.db2.gz VGEMBQMSELNKPV-UHFFFAOYSA-N 0 3 508.584 7.254 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036177586 562049436 /nfs/dbraw/zinc/04/94/36/562049436.db2.gz HWBDUMFRVQEBPH-PKNBQFBNSA-N 0 3 537.919 6.186 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000036285461 562054245 /nfs/dbraw/zinc/05/42/45/562054245.db2.gz DWGHGPMZSFXSGH-QFIPXVFZSA-N 0 3 515.542 6.052 1 0 KKAFHN CCOc1cccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285714 562054327 /nfs/dbraw/zinc/05/43/27/562054327.db2.gz FGPYYVRPPVIISD-NLFFAJNJSA-N 0 3 505.625 5.677 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000036285699 562054371 /nfs/dbraw/zinc/05/43/71/562054371.db2.gz CAWFJTGOUOKIJP-DEOSSOPVSA-N 0 3 500.609 5.524 1 0 KKAFHN COc1cc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)ccc1Cl ZINC000036285755 562054570 /nfs/dbraw/zinc/05/45/70/562054570.db2.gz YIUVYPLGMPCBAC-MBSDFSHPSA-N 0 3 526.043 5.941 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000036310768 562055039 /nfs/dbraw/zinc/05/50/39/562055039.db2.gz POQAFSKCCQVOAP-DWACAAAGSA-N 0 3 569.681 5.215 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000036338862 562057436 /nfs/dbraw/zinc/05/74/36/562057436.db2.gz SLZDAHQKZCFNCA-UHFFFAOYSA-N 0 3 598.670 6.279 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000036338862 562057438 /nfs/dbraw/zinc/05/74/38/562057438.db2.gz SLZDAHQKZCFNCA-UHFFFAOYSA-N 0 3 598.670 6.279 1 0 KKAFHN Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)C(C)C)c1 ZINC000036338858 562057567 /nfs/dbraw/zinc/05/75/67/562057567.db2.gz AKYQOQRRFDHNEA-UHFFFAOYSA-N 0 3 554.764 6.208 1 0 KKAFHN Cc1cccc(NC(=O)N(Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)C(C)C)c1 ZINC000036338858 562057570 /nfs/dbraw/zinc/05/75/70/562057570.db2.gz AKYQOQRRFDHNEA-UHFFFAOYSA-N 0 3 554.764 6.208 1 0 KKAFHN Cc1cccc(NC(=O)CCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338895 562057617 /nfs/dbraw/zinc/05/76/17/562057617.db2.gz OJLLDVYETXKYTJ-UHFFFAOYSA-N 0 3 511.695 5.337 1 0 KKAFHN Cc1cccc(NC(=O)CCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338895 562057620 /nfs/dbraw/zinc/05/76/20/562057620.db2.gz OJLLDVYETXKYTJ-UHFFFAOYSA-N 0 3 511.695 5.337 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc21 ZINC000036349221 562057836 /nfs/dbraw/zinc/05/78/36/562057836.db2.gz SFSGLZYSWHPYBC-UUWRZZSWSA-N 0 3 609.778 6.755 1 0 KKAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000036351476 562058308 /nfs/dbraw/zinc/05/83/08/562058308.db2.gz CZSUCMAQMLGPBX-JSOSNVBQSA-N 0 3 627.151 6.931 1 0 KKAFHN COc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351549 562058511 /nfs/dbraw/zinc/05/85/11/562058511.db2.gz GCGBTYFYLYFXGB-KODFZCBSSA-N 0 3 515.073 5.079 1 0 KKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccc(Br)cc2)cc1C ZINC000036351798 562059299 /nfs/dbraw/zinc/05/92/99/562059299.db2.gz IEJFFMAPQSUQIU-UHFFFAOYSA-N 0 3 551.485 6.328 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1 ZINC000036758592 562061496 /nfs/dbraw/zinc/06/14/96/562061496.db2.gz RKNYQDPVAHZMFZ-UHFFFAOYSA-N 0 3 533.598 6.692 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000038157239 562068600 /nfs/dbraw/zinc/06/86/00/562068600.db2.gz FJGKVFWXFGAENH-OFVILXPXSA-N 0 3 559.585 5.799 1 0 KKAFHN O=c1ccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CCN(CC4CC4)CC3)cc2)c[nH]1 ZINC000038157854 562069557 /nfs/dbraw/zinc/06/95/57/562069557.db2.gz ZXKSAIRBLNKHSW-UHFFFAOYSA-N 0 3 522.546 6.384 1 0 KKAFHN CCN(C(=O)Cc1cccc(Cl)c1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380041 562073426 /nfs/dbraw/zinc/07/34/26/562073426.db2.gz BKSQFACSRZWUHK-DFHRPNOPSA-N 0 3 510.122 5.632 1 0 KKAFHN CCN(C(=O)C(C)(C)c1ccccc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380428 562073466 /nfs/dbraw/zinc/07/34/66/562073466.db2.gz HUSIYLIXVFOCGJ-OUTSHDOLSA-N 0 3 503.731 5.713 1 0 KKAFHN CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)C)CC1 ZINC000040379856 562073469 /nfs/dbraw/zinc/07/34/69/562073469.db2.gz XHJJLDTUNPMPBX-XMMPIXPASA-N 0 3 504.502 5.480 1 0 KKAFHN CN(C)Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)[nH]1 ZINC000040404368 562074878 /nfs/dbraw/zinc/07/48/78/562074878.db2.gz ATEQNOXHLBHSBB-UHFFFAOYSA-N 0 3 508.022 6.863 1 0 KKAFHN CCN(CC)C[C@H](O)CSC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422443 562075975 /nfs/dbraw/zinc/07/59/75/562075975.db2.gz LLMCAXLJBYLHOZ-GMAHTHKFSA-N 0 3 514.679 5.868 1 0 KKAFHN CN[C@@H](C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(C(=O)NCc2csc(-c3cccs3)n2)c1 ZINC000040865145 562081190 /nfs/dbraw/zinc/08/11/90/562081190.db2.gz JRGQZQQTSQNVKL-INIZCTEOSA-N 0 3 522.652 5.149 1 0 KKAFHN Cc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000040935986 562085123 /nfs/dbraw/zinc/08/51/23/562085123.db2.gz DBJFGLLLLSGPOT-UHFFFAOYSA-N 0 3 529.084 6.710 1 0 KKAFHN O=C(NC1CCCCC1)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937371 562085406 /nfs/dbraw/zinc/08/54/06/562085406.db2.gz VKLJOUGRSNUTNZ-XMMPIXPASA-N 0 3 521.652 6.299 1 0 in-vitro KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCCCC1 ZINC000040951049 562086010 /nfs/dbraw/zinc/08/60/10/562086010.db2.gz MQIGEJLZKVQZSL-LADGPHEKSA-N 0 3 526.690 6.012 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCC1 ZINC000040952144 562086145 /nfs/dbraw/zinc/08/61/45/562086145.db2.gz HMYAEJVTRKONJY-GMAHTHKFSA-N 0 3 512.663 5.622 1 0 KKAFHN COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N13 ZINC000085511861 560073786 /nfs/dbraw/zinc/07/37/86/560073786.db2.gz NEKIHSCHYFCIRU-XSPVPKSASA-N 0 3 579.690 5.170 1 0 biogenic,in-vitro KKAFHN Cc1nc(NCc2ccc(C(F)(F)F)cc2)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)n1 ZINC000043062339 562645209 /nfs/dbraw/zinc/64/52/09/562645209.db2.gz MZKILMUYEGIFOO-HFJWLAOPSA-N 0 3 603.914 8.659 1 0 KKAFHN O=C(N[C@H](Cn1ccnc1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043062447 562645215 /nfs/dbraw/zinc/64/52/15/562645215.db2.gz PFTYUXPUTSSSAS-HHHXNRCGSA-N 0 3 536.602 5.398 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccccc1Br ZINC000044306061 562653627 /nfs/dbraw/zinc/65/36/27/562653627.db2.gz LFWNQKMHWIOLSS-UHFFFAOYSA-N 0 3 616.560 5.875 1 0 KKAFHN FC(F)(F)c1ccc(Nc2nc(CN3CCN(C4CCCC4)CC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044350870 562654415 /nfs/dbraw/zinc/65/44/15/562654415.db2.gz MYADEKXTRWYHEI-UHFFFAOYSA-N 0 3 600.611 7.533 1 0 KKAFHN CCN(CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416755 562656989 /nfs/dbraw/zinc/65/69/89/562656989.db2.gz UPQMKAIHADRBKX-QFIPXVFZSA-N 0 3 568.187 5.988 1 0 KKAFHN COc1cc2c(c(Cl)c1OC)CCN(Cc1ccccc1)C[C@@H]2c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045201380 562659076 /nfs/dbraw/zinc/65/90/76/562659076.db2.gz QQMFIUATCMBQRK-JOCHJYFZSA-N 0 3 518.963 6.048 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4[nH]c5ccccc5c4-c4ccccc4)CC3)c2c1 ZINC000045211276 562659382 /nfs/dbraw/zinc/65/93/82/562659382.db2.gz UWHHFGJXXJGADN-LJAQVGFWSA-N 0 3 520.633 5.320 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC2CCN(CC3CCCCC3)CC2)cc1 ZINC000045228815 562659486 /nfs/dbraw/zinc/65/94/86/562659486.db2.gz KWSDDVAQTUGOSI-UHFFFAOYSA-N 0 3 523.621 5.281 1 0 KKAFHN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045259030 562659985 /nfs/dbraw/zinc/65/99/85/562659985.db2.gz CCWKJFUTAIMLPZ-UHFFFAOYSA-N 0 3 508.670 5.467 1 0 KKAFHN Cc1cc(-c2ncc[nH]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CCN(C)CC2)cc1 ZINC000045302300 562660605 /nfs/dbraw/zinc/66/06/05/562660605.db2.gz CJHQWWQYKXGFQA-UHFFFAOYSA-N 0 3 504.634 5.611 1 0 KKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)c1 ZINC000045302590 562660663 /nfs/dbraw/zinc/66/06/63/562660663.db2.gz ZFOYEFAKHZZNHL-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)c1 ZINC000045302590 562660664 /nfs/dbraw/zinc/66/06/64/562660664.db2.gz ZFOYEFAKHZZNHL-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc1)CC2 ZINC000045302711 562660703 /nfs/dbraw/zinc/66/07/03/562660703.db2.gz UGZCENGMQDZDFY-DEOSSOPVSA-N 0 3 522.571 5.613 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCN2CC2CCCCC2)cc1 ZINC000045317825 562660887 /nfs/dbraw/zinc/66/08/87/562660887.db2.gz GGBHRKPDSPZDTC-HSZRJFAPSA-N 0 3 523.621 5.281 1 0 KKAFHN CCCCCN1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045321571 562661067 /nfs/dbraw/zinc/66/10/67/562661067.db2.gz MDOBMFVRAIEFSI-LJQANCHMSA-N 0 3 511.610 5.138 1 0 KKAFHN O=C(NCc1ccccc1)N[C@@H](CCCN1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307325 562662938 /nfs/dbraw/zinc/66/29/38/562662938.db2.gz BZHDEWLIFSTTHO-NDEPHWFRSA-N 0 3 560.953 7.511 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000048307342 562663012 /nfs/dbraw/zinc/66/30/12/562663012.db2.gz BTGARQGHTCRAIZ-CTSIERMWSA-N 0 3 581.544 6.981 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)cc1 ZINC000048308898 562663163 /nfs/dbraw/zinc/66/31/63/562663163.db2.gz BVSWRDJFHGJWQP-UHFFFAOYSA-N 0 3 535.591 6.609 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cc1 ZINC000048308898 562663164 /nfs/dbraw/zinc/66/31/64/562663164.db2.gz BVSWRDJFHGJWQP-UHFFFAOYSA-N 0 3 535.591 6.609 1 0 KKAFHN Cc1ccc(NC(=O)NC2CCN(CC[C@H](NC(=O)Cc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049604988 562665165 /nfs/dbraw/zinc/66/51/65/562665165.db2.gz NMPGHMNIEPZGQE-NDEPHWFRSA-N 0 3 553.534 6.378 1 0 KKAFHN COc1ccccc1CCN(C)CCN1CCC(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049605063 562665262 /nfs/dbraw/zinc/66/52/62/562665262.db2.gz JMQKVALMMGFCPU-UHFFFAOYSA-N 0 3 539.642 5.750 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3cccnc32)CC1 ZINC000049605073 562665295 /nfs/dbraw/zinc/66/52/95/562665295.db2.gz OONLQBVOQXYWJX-UHFFFAOYSA-N 0 3 703.756 7.442 1 0 KKAFHN O=C(CC1CCCCC1)NC[C@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049605153 562665436 /nfs/dbraw/zinc/66/54/36/562665436.db2.gz NPUUYFIWCJMTLC-VWLOTQADSA-N 0 3 618.414 6.273 1 0 KKAFHN O=C(CC1CCCCC1)NC[C@@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049605154 562665453 /nfs/dbraw/zinc/66/54/53/562665453.db2.gz NPUUYFIWCJMTLC-RUZDIDTESA-N 0 3 618.414 6.273 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049605250 562665573 /nfs/dbraw/zinc/66/55/73/562665573.db2.gz ASAJVNGIJZCMAM-SZAHLOSFSA-N 0 3 730.894 6.125 1 0 KKAFHN COc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1 ZINC000049605270 562665612 /nfs/dbraw/zinc/66/56/12/562665612.db2.gz QBHNCWLFBBZUIN-UHFFFAOYSA-N 0 3 565.680 6.455 1 0 KKAFHN CN(C)CC(=O)N(Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1)Cc1ccc(Cl)c(Cl)c1 ZINC000049605324 562665677 /nfs/dbraw/zinc/66/56/77/562665677.db2.gz OPLDPJWPOFLJFT-UHFFFAOYSA-N 0 3 553.559 6.497 1 0 KKAFHN CN1CCN(Cc2cccc(-c3cc4nccc(Nc5ccc(Oc6ccccc6)cc5)c4cc3Cl)c2)CC1 ZINC000049605309 562665685 /nfs/dbraw/zinc/66/56/85/562665685.db2.gz LLFWLMNOCZOMDD-UHFFFAOYSA-N 0 3 535.091 7.839 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049605389 562665784 /nfs/dbraw/zinc/66/57/84/562665784.db2.gz PMKUFGAWQQIJAH-YRNVUSSQSA-N 0 3 619.943 7.595 1 0 KKAFHN COc1cccc(NC(=O)Nc2ccc(-c3oc(C(=O)NC[C@H](c4ccccc4)N(C)C)cc3-c3ccncc3)cc2)c1 ZINC000049605393 562665790 /nfs/dbraw/zinc/66/57/90/562665790.db2.gz KRIFDEVQJXSACM-SSEXGKCCSA-N 0 3 575.669 6.694 1 0 KKAFHN COc1cccc(NC(=O)Nc2ccc(-c3oc(C(=O)NC[C@@H](c4ccccc4)N(C)C)cc3-c3ccncc3)cc2)c1 ZINC000049605392 562665814 /nfs/dbraw/zinc/66/58/14/562665814.db2.gz KRIFDEVQJXSACM-PMERELPUSA-N 0 3 575.669 6.694 1 0 KKAFHN CS(=O)(=O)N(c1ccc(F)cc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000049605464 562665899 /nfs/dbraw/zinc/66/58/99/562665899.db2.gz DHYNFBHESZSNCF-JHOUSYSJSA-N 0 3 712.766 5.561 1 0 KKAFHN O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000049605660 562666169 /nfs/dbraw/zinc/66/61/69/562666169.db2.gz ZSYUYCGOXXOFOB-UIOOFZCWSA-N 0 3 548.609 5.977 1 0 KKAFHN O=C(N[C@H]1C[C@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605737 562666317 /nfs/dbraw/zinc/66/63/17/562666317.db2.gz UPECNCZLZOVUOM-ACHIHNKUSA-N 0 3 576.770 6.454 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605730 562666331 /nfs/dbraw/zinc/66/63/31/562666331.db2.gz FWOCVWATTUPVMG-XUVXKRRUSA-N 0 3 572.364 6.586 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000049626398 562667185 /nfs/dbraw/zinc/66/71/85/562667185.db2.gz YYILXHAZJSPIFY-UHFFFAOYSA-N 0 3 552.600 8.477 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049650187 562668056 /nfs/dbraw/zinc/66/80/56/562668056.db2.gz ZJTTUPATNKQEFG-MPQUPPDSSA-N 0 3 675.842 6.879 1 0 KKAFHN Cc1ccc2c(c1)nc(N1CCCCCC1)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000049679295 562668855 /nfs/dbraw/zinc/66/88/55/562668855.db2.gz ALUJTNZFYZSCHV-UHFFFAOYSA-N 0 3 562.762 6.781 1 0 KKAFHN CCC(=O)N(CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C)C1CCN(CCc2ccccc2)CC1 ZINC000049679821 562669036 /nfs/dbraw/zinc/66/90/36/562669036.db2.gz NWWDJZJTOILOGZ-UHFFFAOYSA-N 0 3 737.216 9.434 1 0 KKAFHN COc1cc(CN(Cc2ccc(CN(Cc3ccc(O)c(OC)c3)Cc3ccc(O)c(OC)c3)cc2)Cc2ccc(O)c(OC)c2)ccc1O ZINC000049694532 562669457 /nfs/dbraw/zinc/66/94/57/562669457.db2.gz VXMZXJKHWMYEHI-UHFFFAOYSA-N 0 3 680.798 6.948 1 0 KKAFHN C[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H](N)Cc4ccccc4)nn3)nn2)nn1 ZINC000049694794 562669777 /nfs/dbraw/zinc/66/97/77/562669777.db2.gz TUCYWCJNVXTKPN-NLKOQUQSSA-N 0 3 634.792 5.977 1 0 KKAFHN C[C@H]1C[C@H](N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CCN1Cc1ccc(Cl)cc1 ZINC000049695104 562670171 /nfs/dbraw/zinc/67/01/71/562670171.db2.gz PRPPWWOPQVJUNZ-NBGIEHNGSA-N 0 3 621.440 6.800 1 0 KKAFHN CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CCNCC3)c2F)c1 ZINC000049695418 562670536 /nfs/dbraw/zinc/67/05/36/562670536.db2.gz VIWAMLXNVNUQII-UHFFFAOYSA-N 0 3 575.616 5.244 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cc(F)cc(F)c3)CCO2)CC1 ZINC000049710574 562671753 /nfs/dbraw/zinc/67/17/53/562671753.db2.gz IZFKBRJLUQFVJC-YTTGMZPUSA-N 0 3 616.536 7.044 1 0 KKAFHN Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(N3CCNCC3)n2)cc1 ZINC000049710747 562671822 /nfs/dbraw/zinc/67/18/22/562671822.db2.gz UCTRKROXXJHOIG-UHFFFAOYSA-N 0 3 593.654 5.208 1 0 KKAFHN CC(C)(CNC(=O)C1CC[NH+](CCOCc2ccccc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049711243 562672000 /nfs/dbraw/zinc/67/20/00/562672000.db2.gz DIPJMJUXVATSDB-UHFFFAOYSA-N 0 3 588.152 5.820 1 0 KKAFHN Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3cccc(C(F)(F)F)c3)nc(N3CCNCC3)n2)cc1 ZINC000049722559 562672177 /nfs/dbraw/zinc/67/21/77/562672177.db2.gz HTZSOATXZBDJMD-UHFFFAOYSA-N 0 3 593.654 5.208 1 0 KKAFHN CCN1CCC[C@H]1CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722593 562672216 /nfs/dbraw/zinc/67/22/16/562672216.db2.gz JLOWWZLDDROYCZ-HKBQPEDESA-N 0 3 688.741 7.659 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049722635 562672331 /nfs/dbraw/zinc/67/23/31/562672331.db2.gz RXEVELWDBBDFGK-XMZCSZCVSA-N 0 3 606.538 6.002 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2cc(F)ccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722790 562672575 /nfs/dbraw/zinc/67/25/75/562672575.db2.gz POBHGYKZEXVHDN-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN COc1cccc(CNC(=O)c2cc(CNCc3ccccc3)ccc2-c2cccc(CNCc3ccc(-c4ccccc4)cc3)c2)c1 ZINC000049722852 562672621 /nfs/dbraw/zinc/67/26/21/562672621.db2.gz SIZMNWNMZZEQGT-UHFFFAOYSA-N 0 3 631.820 8.539 1 0 KKAFHN CN(C)C(=O)c1cc(CNCc2ccccc2)ccc1-c1cccc(CNCc2ccc(-c3ccccc3)cc2)c1 ZINC000049722872 562672665 /nfs/dbraw/zinc/67/26/65/562672665.db2.gz QHTJYTUPBGTRBC-UHFFFAOYSA-N 0 3 539.723 7.302 1 0 KKAFHN Cc1ccc([C@@H]2[C@H](c3cccc4ccccc43)[C@@]3(CCCN([C@H](C)c4ccccc4)C3)ON2c2ccccc2)cc1 ZINC000049745048 562673632 /nfs/dbraw/zinc/67/36/32/562673632.db2.gz RUGMTSJCEJZCGZ-RWDBSFSPSA-N 0 3 538.735 9.021 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccsc2c(=O)nc1CCc1ccc(F)cc1 ZINC000049745174 562673687 /nfs/dbraw/zinc/67/36/87/562673687.db2.gz FPFYMPYRJGTUPA-UHFFFAOYSA-N 0 3 664.769 7.439 1 0 KKAFHN O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745246 562673787 /nfs/dbraw/zinc/67/37/87/562673787.db2.gz GUNSFAQQGCFKPF-NNWRFLSQSA-N 0 3 539.454 5.558 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049746240 562674323 /nfs/dbraw/zinc/67/43/23/562674323.db2.gz CLYCJZBXTYXKNX-WEVVVXLNSA-N 0 3 558.337 6.450 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049746758 562674592 /nfs/dbraw/zinc/67/45/92/562674592.db2.gz SJCQMSFAOMNDNV-UHFFFAOYSA-N 0 3 662.945 7.209 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5cc(Cl)ccc5s4)cc3)c2cc1OCCCN1CCN(C)CC1 ZINC000049756459 562675037 /nfs/dbraw/zinc/67/50/37/562675037.db2.gz WCRYRBRNFCXTTR-UHFFFAOYSA-N 0 3 575.138 6.328 1 0 KKAFHN Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CN[C@@H](C)c1cccc(C(C)C)c1)NC2=O ZINC000049756862 562675310 /nfs/dbraw/zinc/67/53/10/562675310.db2.gz WRDFTFAHALVDPT-KEPSJGTLSA-N 0 3 531.697 5.118 1 0 KKAFHN CC(C)c1cccc(C2(NC[C@@H](O)[C@@H]3Cc4cccc(c4)OCCCCOc4cc(cc(N5CCCC5=O)c4)C(=O)N3)CC2)c1 ZINC000049757056 562675458 /nfs/dbraw/zinc/67/54/58/562675458.db2.gz UPWNAHZYMBYMAH-SZAHLOSFSA-N 0 3 611.783 5.469 1 0 KKAFHN Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCCN4CCCCC4)cc3)[C@H]2c2ccccc2)cc1 ZINC000049757072 562675532 /nfs/dbraw/zinc/67/55/32/562675532.db2.gz SWDVOOPRYHDOBJ-GMTSZFNJSA-N 0 3 505.658 7.306 1 0 KKAFHN CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCNc3cc(cc(N4C=COC4)c3)C(=O)N2)c1 ZINC000049757231 562675746 /nfs/dbraw/zinc/67/57/46/562675746.db2.gz AKKRZBQIPILXBF-JHOUSYSJSA-N 0 3 570.734 5.152 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000049757397 562675975 /nfs/dbraw/zinc/67/59/75/562675975.db2.gz NACVPONJWZPHAP-UHFFFAOYSA-N 0 3 575.138 6.328 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3C)c2cc1OCCCN1CCN(C)CC1 ZINC000049762080 562676319 /nfs/dbraw/zinc/67/63/19/562676319.db2.gz DXQXEQLCDPJFHI-UHFFFAOYSA-N 0 3 554.720 5.983 1 0 KKAFHN CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(C)(C)[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000049763171 562676870 /nfs/dbraw/zinc/67/68/70/562676870.db2.gz PJORFOHALZCPRN-NDEPHWFRSA-N 0 3 612.793 5.245 1 0 KKAFHN CCN1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 ZINC000049767191 562677400 /nfs/dbraw/zinc/67/74/00/562677400.db2.gz NOBRZARFPUZXNK-HXUWFJFHSA-N 0 3 558.901 5.353 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CCN(C)CC1 ZINC000049767566 562677621 /nfs/dbraw/zinc/67/76/21/562677621.db2.gz CYXVEZJWVJIFPJ-UHFFFAOYSA-N 0 3 556.692 5.381 1 0 KKAFHN CCN(C[C@H](COCc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](COCc1ccccc1)NC(=O)OCc1nccs1 ZINC000049771145 562678037 /nfs/dbraw/zinc/67/80/37/562678037.db2.gz CZQXPDBVKLWLQZ-IZLXSDGUSA-N 0 3 653.827 5.245 1 0 KKAFHN O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000049775753 562679253 /nfs/dbraw/zinc/67/92/53/562679253.db2.gz QXHSKALBSZTNEQ-HKBQPEDESA-N 0 3 635.249 5.681 1 0 KKAFHN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000049776371 562679448 /nfs/dbraw/zinc/67/94/48/562679448.db2.gz PSOLLAWKFQBNIY-ZHAMFGDSSA-N 0 3 655.909 5.707 1 0 KKAFHN CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000049777156 562679718 /nfs/dbraw/zinc/67/97/18/562679718.db2.gz FXKGMLCCXKNJLB-HSZRJFAPSA-N 0 3 538.636 5.625 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NC2CCN(C)CC2)ncn1 ZINC000049777975 562680754 /nfs/dbraw/zinc/68/07/54/562680754.db2.gz QQVLIPDYPZXRET-UHFFFAOYSA-N 0 3 600.649 6.645 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1ccccc1 ZINC000049778264 562681152 /nfs/dbraw/zinc/68/11/52/562681152.db2.gz YWPTVOHCMHCFBE-MUUNZHRXSA-N 0 3 651.673 6.138 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778313 562681162 /nfs/dbraw/zinc/68/11/62/562681162.db2.gz IMQBTGWOTKESLU-VIZCGCQYSA-N 0 3 709.517 8.558 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccc(O)cc4)c3Cl)c2n1 ZINC000049778383 562681242 /nfs/dbraw/zinc/68/12/42/562681242.db2.gz QLPWGEHNTXNVPI-UHFFFAOYSA-N 0 3 645.609 5.488 1 0 KKAFHN COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3CN4C)cc2C)ccc1F ZINC000049781226 562682801 /nfs/dbraw/zinc/68/28/01/562682801.db2.gz WVGILCCRPFXQQT-ZEQRLZLVSA-N 0 3 520.612 5.474 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)C[C@@H]3c4ccccc4[NH+]=C(N(C)C)N3c3ccccc3)cc2)cc1 ZINC000049850452 562688665 /nfs/dbraw/zinc/68/86/65/562688665.db2.gz BUARRUHMMCHOQJ-SSEXGKCCSA-N 0 3 567.715 5.613 1 0 in-vivo KKAFHN CN(C)C[C@H](O)COc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn43)n2)c1 ZINC000049889259 562691918 /nfs/dbraw/zinc/69/19/18/562691918.db2.gz IUBAGEWAWOROKE-VWLOTQADSA-N 0 3 635.675 6.034 1 0 KKAFHN COC(=O)Cc1c[nH]c2ccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc12 ZINC000049889460 562692139 /nfs/dbraw/zinc/69/21/39/562692139.db2.gz QCPMSPLCIPCOOQ-UHFFFAOYSA-N 0 3 635.126 8.659 1 0 KKAFHN CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CCN(C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000049899533 562693223 /nfs/dbraw/zinc/69/32/23/562693223.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 0 3 666.815 7.561 1 0 KKAFHN Cc1ccc(NC(=O)c2cc(OC3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000049916748 562693518 /nfs/dbraw/zinc/69/35/18/562693518.db2.gz INIPJCMUHKXHJQ-UHFFFAOYSA-N 0 3 616.648 6.194 1 0 KKAFHN CN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2SCc2cccc(F)c2F)CCC3)CC1 ZINC000049917536 562693544 /nfs/dbraw/zinc/69/35/44/562693544.db2.gz NIXOXURBZLAQIP-UHFFFAOYSA-N 0 3 681.771 7.716 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049917592 562693615 /nfs/dbraw/zinc/69/36/15/562693615.db2.gz ICIDSHHZAPVAKX-MSEJLTFDSA-N 0 3 637.756 5.306 1 0 KKAFHN CC(C)Cc1ccc(N2CCN(CCCCNC(=O)c3ccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000049917621 562693707 /nfs/dbraw/zinc/69/37/07/562693707.db2.gz HXRGYGFWMAGJER-UHFFFAOYSA-N 0 3 648.692 7.507 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@@H](NC(=S)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917680 562693727 /nfs/dbraw/zinc/69/37/27/562693727.db2.gz AVGGLWCCZIZIFS-AREMUKBSSA-N 0 3 603.641 6.225 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)cc1 ZINC000049917745 562693868 /nfs/dbraw/zinc/69/38/68/562693868.db2.gz SKZZXDBQDRCXJM-UHFFFAOYSA-N 0 3 541.620 6.671 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3nn(C)cc3c(=O)cc2CCc2cccc(F)c2F)CC1 ZINC000049917863 562693996 /nfs/dbraw/zinc/69/39/96/562693996.db2.gz ISPYBGMNPYDORW-UHFFFAOYSA-N 0 3 691.745 6.997 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049917908 562694136 /nfs/dbraw/zinc/69/41/36/562694136.db2.gz LROQIJZEUPRJEP-JVNGFTGRSA-N 0 3 557.444 6.208 1 0 KKAFHN O=C(N[C@H](CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049917925 562694139 /nfs/dbraw/zinc/69/41/39/562694139.db2.gz CXAAWZIHSALWCA-AREMUKBSSA-N 0 3 544.910 6.402 1 0 KKAFHN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049917905 562694144 /nfs/dbraw/zinc/69/41/44/562694144.db2.gz GUIMLYMLFIYPKB-KPKJPENVSA-N 0 3 605.023 6.917 1 0 KKAFHN COc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCCN2CCC(O)(c3ccccc3)CC2)c1 ZINC000049917979 562694260 /nfs/dbraw/zinc/69/42/60/562694260.db2.gz AJYANRJFLGRSNM-VAWYXSNFSA-N 0 3 556.581 5.608 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049938220 562695167 /nfs/dbraw/zinc/69/51/67/562695167.db2.gz WZCRTOKSBDFVAS-OFSOJUDTSA-N 0 3 675.072 7.905 1 0 KKAFHN CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942342 562695463 /nfs/dbraw/zinc/69/54/63/562695463.db2.gz AAULUGZZFCAQJP-GDLZYMKVSA-N 0 3 559.736 5.352 1 0 in-vivo KKAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccccc2-n2cccn2)n1 ZINC000053277614 562697113 /nfs/dbraw/zinc/69/71/13/562697113.db2.gz UUKKTEAGWFZJSI-UHFFFAOYSA-N 0 3 523.645 5.170 1 0 KKAFHN CC1(NC(=O)CC23CC4CC(CC(C4)C2)C3)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053293577 562697183 /nfs/dbraw/zinc/69/71/83/562697183.db2.gz IOFXXLGAQWIHTF-JBVCSEDXSA-N 0 3 551.791 6.531 1 0 KKAFHN COCC/C(SC(=O)c1ccccc1C)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1ccccc1C ZINC000058548036 562699095 /nfs/dbraw/zinc/69/90/95/562699095.db2.gz AORAKKBQIZKQNQ-OVTCTGMWSA-N 0 3 753.084 10.104 1 0 KKAFHN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(CN(C)C)c(C)c6c5)c4)CC3)CC2)CC1 ZINC000058548530 562699114 /nfs/dbraw/zinc/69/91/14/562699114.db2.gz ZKFBFGQUYFJGTL-UHFFFAOYSA-N 0 3 689.905 5.274 1 0 KKAFHN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(C(F)(F)F)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1 ZINC000058548427 562699116 /nfs/dbraw/zinc/69/91/16/562699116.db2.gz FMNYPFYWZCNSLW-UHFFFAOYSA-N 0 3 686.779 5.923 1 0 KKAFHN Cc1cc(Cl)c(OCCOc2ccc(C[C@H](CN)C(=O)N(Cc3cc(CCS(C)(=O)=O)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000058583615 562700151 /nfs/dbraw/zinc/70/01/51/562700151.db2.gz UPTADYJTDLFDFQ-XMMPIXPASA-N 0 3 668.083 6.309 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058594410 562700690 /nfs/dbraw/zinc/70/06/90/562700690.db2.gz NXOJBDCDDRAJDO-HXUWFJFHSA-N 0 3 590.153 5.090 1 0 KKAFHN COC(=O)c1cccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796295 562702309 /nfs/dbraw/zinc/70/23/09/562702309.db2.gz LSIDHJBKTOAZTN-OETVIHDQSA-N 0 3 568.639 7.576 3 0 KKAFHN COc1ccc(/C=C/CN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061904317 562702980 /nfs/dbraw/zinc/70/29/80/562702980.db2.gz FSGLJBPFKQQGAQ-RPQDIBGKSA-N 0 3 509.625 6.014 3 0 KKAFHN COc1cc(CN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc(OC)c1 ZINC000061906409 562703074 /nfs/dbraw/zinc/70/30/74/562703074.db2.gz WXIIXROMGVLSQR-PMERELPUSA-N 0 3 513.613 5.509 3 0 KKAFHN COc1ccc([C@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061926142 562703584 /nfs/dbraw/zinc/70/35/84/562703584.db2.gz QQYAPCJBIKFBEQ-HKBQPEDESA-N 0 3 507.634 6.000 3 0 KKAFHN Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(OC5CCN(C)CC5)c(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000064415684 562705003 /nfs/dbraw/zinc/70/50/03/562705003.db2.gz NCTRDRAFCRZEPK-UHFFFAOYSA-N 0 3 574.991 6.550 1 0 KKAFHN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(Br)c1 ZINC000064436812 562705243 /nfs/dbraw/zinc/70/52/43/562705243.db2.gz RTBIPFUMKDXETP-SFTDATJTSA-N 0 3 577.490 5.657 1 0 KKAFHN Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064499008 562706007 /nfs/dbraw/zinc/70/60/07/562706007.db2.gz RTNHZZUGWDBHSN-UHFFFAOYSA-N 0 3 507.028 6.376 1 0 KKAFHN Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CO6)CCN(C)CC4)c(C)c3)cc2)no1 ZINC000064513546 562706409 /nfs/dbraw/zinc/70/64/09/562706409.db2.gz VDROGCZIMLOXKX-UHFFFAOYSA-N 0 3 520.633 5.579 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](Nc2ncccn2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064513925 562706499 /nfs/dbraw/zinc/70/64/99/562706499.db2.gz ANSDKCGTAPTVGF-OUPRXKBMSA-N 0 3 524.509 6.351 1 0 KKAFHN CC(C)(C)c1ccc(C2(CCCN3CCc4cc(OCc5ccccc5)ccc4[C@@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064550069 562708203 /nfs/dbraw/zinc/70/82/03/562708203.db2.gz ZLRSPZURKJYEMQ-XIFFEERXSA-N 0 3 557.775 7.161 1 0 KKAFHN Cc1cccc(N2CCN(CCCCNc3nc4ccc(F)cc4c(NCc4ccco4)n3)CC2)c1C ZINC000066074022 562709663 /nfs/dbraw/zinc/70/96/63/562709663.db2.gz RKOSRCVWIKXMCP-UHFFFAOYSA-N 0 3 502.638 5.605 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077234 562710285 /nfs/dbraw/zinc/71/02/85/562710285.db2.gz JRVSGBSKZMZOOC-MGBGTMOVSA-N 0 3 646.898 5.470 1 0 KKAFHN Cn1nc(Cc2ccccc2)cc1C1CCN(CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066079481 562710623 /nfs/dbraw/zinc/71/06/23/562710623.db2.gz LJTVHAQRPVLLMC-LJAQVGFWSA-N 0 3 542.749 5.343 1 0 KKAFHN CN(C)Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066100595 562711242 /nfs/dbraw/zinc/71/12/42/562711242.db2.gz HHNZAJOXHSVYML-NRFANRHFSA-N 0 3 552.597 6.046 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066112394 562712036 /nfs/dbraw/zinc/71/20/36/562712036.db2.gz LKMTURFCSVFFPV-DHUJRADRSA-N 0 3 634.869 6.433 1 0 KKAFHN CCN1c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N(C2CCCC2)[C@@H](c2ccccc2)CC1=O ZINC000066136499 562713181 /nfs/dbraw/zinc/71/31/81/562713181.db2.gz IJVJTMNJBNMDDU-MUUNZHRXSA-N 0 3 597.764 5.300 3 0 KKAFHN CN(C)CCN(C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066259554 562715300 /nfs/dbraw/zinc/71/53/00/562715300.db2.gz LXGUQYLBTQNGHK-UHFFFAOYSA-N 0 3 553.555 5.256 1 0 KKAFHN O=C1N=C(c2ccc(F)cc2)C(CCN2CCN(c3cc(Br)cc(Br)c3)CC2)O1 ZINC000084495815 562743246 /nfs/dbraw/zinc/74/32/46/562743246.db2.gz IQLYPAORURWIIH-UHFFFAOYSA-N 0 3 525.216 5.076 1 0 KKAFHN O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3cc(Br)cc(Br)c3)CC2)o1 ZINC000084495815 562743247 /nfs/dbraw/zinc/74/32/47/562743247.db2.gz IQLYPAORURWIIH-UHFFFAOYSA-N 0 3 525.216 5.076 1 0 KKAFHN Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000068198083 562715897 /nfs/dbraw/zinc/71/58/97/562715897.db2.gz BGIPSPTYDHJEKL-MHZLTWQESA-N 0 3 520.695 5.054 1 0 KKAFHN CC(C)c1ccc(C=C2CN(Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334367 562719573 /nfs/dbraw/zinc/71/95/73/562719573.db2.gz OHNIUIOFVVGQRR-MRWVFDTMSA-N 0 3 507.747 7.306 1 0 KKAFHN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111427 562721924 /nfs/dbraw/zinc/72/19/24/562721924.db2.gz IFUMWLOPXCEQDI-ZQGWNMLXSA-N 0 3 642.769 7.962 1 0 KKAFHN C[C@@H]1CN(C(=O)C2CCCCC2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112446 562722082 /nfs/dbraw/zinc/72/20/82/562722082.db2.gz GREPRJJCDHWUCR-CHWPHWHQSA-N 0 3 526.806 5.831 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072119930 562723886 /nfs/dbraw/zinc/72/38/86/562723886.db2.gz INQGVWVTBPOLPM-KWRMZWAXSA-N 0 3 662.026 6.467 3 0 KKAFHN CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000072120336 562724022 /nfs/dbraw/zinc/72/40/22/562724022.db2.gz NKJVEESZKXXZFT-DTTPJGKXSA-N 0 3 650.783 6.163 3 0 KKAFHN O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072121361 562724226 /nfs/dbraw/zinc/72/42/26/562724226.db2.gz SZYOEPFBMRLVKU-UUWRZZSWSA-N 0 3 545.658 7.284 3 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072122720 562724644 /nfs/dbraw/zinc/72/46/44/562724644.db2.gz RRRJJHOCKYLCQN-ITEXHPTBSA-N 0 3 631.814 5.875 3 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1 ZINC000072123719 562724859 /nfs/dbraw/zinc/72/48/59/562724859.db2.gz SVTATNUUFRMUDH-OFKCIZEBSA-N 0 3 659.728 7.501 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1 ZINC000072123718 562724902 /nfs/dbraw/zinc/72/49/02/562724902.db2.gz SVTATNUUFRMUDH-FSGZAOGXSA-N 0 3 659.728 7.501 1 0 KKAFHN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)C2=O)cc1 ZINC000072129852 562726480 /nfs/dbraw/zinc/72/64/80/562726480.db2.gz NUWNAUVHMPVPKS-BFGHFXMOSA-N 0 3 663.196 5.757 1 0 KKAFHN CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CC[NH2+]C[C@H](O)c3ccc([O-])c([N-]S(C)(=O)=O)c3)cc2)ccc1O)C(C)C ZINC000072131701 562726774 /nfs/dbraw/zinc/72/67/74/562726774.db2.gz AFTLTCTXIJHBOV-RZLWBAEQSA-N 0 3 732.000 7.378 1 0 KKAFHN CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000072138255 562728703 /nfs/dbraw/zinc/72/87/03/562728703.db2.gz WFUNTFJZTRFJFT-KWRMZWAXSA-N 0 3 662.026 6.467 3 0 KKAFHN CCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072138597 562728851 /nfs/dbraw/zinc/72/88/51/562728851.db2.gz JYQVCKVAVFLGCT-UHFFFAOYSA-N 0 3 574.567 6.080 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072141617 562729437 /nfs/dbraw/zinc/72/94/37/562729437.db2.gz YONZQCMXPIWVTN-SPWOZAQASA-N 0 3 726.069 6.759 3 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=C[C@@H](c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1 ZINC000072147596 562729738 /nfs/dbraw/zinc/72/97/38/562729738.db2.gz LDOOJWYIGGXIHB-FILRIAJHSA-N 0 3 689.587 5.383 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCN(C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172005 562730573 /nfs/dbraw/zinc/73/05/73/562730573.db2.gz QQLMRUWZPSJDOW-QHCPKHFHSA-N 0 3 544.604 5.211 1 0 KKAFHN CC(C)c1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc4c(c3)CN(C)CC4)n2)s1 ZINC000072176233 562731556 /nfs/dbraw/zinc/73/15/56/562731556.db2.gz JMTLTJSFIRBAFK-UHFFFAOYSA-N 0 3 596.707 7.653 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl ZINC000072183321 562732903 /nfs/dbraw/zinc/73/29/03/562732903.db2.gz LVGDISGNKYDSAM-AUSIDOKSSA-N 0 3 539.507 6.478 1 0 KKAFHN COc1cc2c(cc1OCCCCN1CCN(CCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317212 562733173 /nfs/dbraw/zinc/73/31/73/562733173.db2.gz TZKVMGYQIISFFQ-MHZLTWQESA-N 0 3 593.772 5.991 1 0 KKAFHN CN(C)[C@@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000073159985 562734023 /nfs/dbraw/zinc/73/40/23/562734023.db2.gz BLWAXJUYAKUVSK-ZJSXRUAMSA-N 0 3 591.030 5.024 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccccc4Cl)c4ccccc4c3=O)CC2)c1 ZINC000073224503 562736689 /nfs/dbraw/zinc/73/66/89/562736689.db2.gz JOSLZDFDRWASRU-UHFFFAOYSA-N 0 3 515.057 5.945 1 0 KKAFHN CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)[C@@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000073389950 562738560 /nfs/dbraw/zinc/73/85/60/562738560.db2.gz BRRBBMGKRWVXNP-CQSZACIVSA-N 0 3 539.458 5.483 1 0 KKAFHN COc1cc(=O)oc(C2[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]3C(OC)=CC(=O)O[C@@]23/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000082152193 562739993 /nfs/dbraw/zinc/73/99/93/562739993.db2.gz OLSSKGLZSHZYMY-OHBBPIINSA-N 0 3 568.710 7.280 1 0 KKAFHN O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(CNC2CC2)ccc1Cl)C1CC1 ZINC000082155803 562740565 /nfs/dbraw/zinc/74/05/65/562740565.db2.gz YFKPCGSURNAABL-JGCGQSQUSA-N 0 3 621.609 5.753 1 0 KKAFHN O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(-c3cccc(CNCc4ccccc4)c3)c1)ccc2[O-] ZINC000082155691 562740605 /nfs/dbraw/zinc/74/06/05/562740605.db2.gz HXHAEKRMZXMRER-NDEPHWFRSA-N 0 3 525.674 5.118 1 0 KKAFHN N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175476 562741654 /nfs/dbraw/zinc/74/16/54/562741654.db2.gz LIMJKIRESKWUFU-GOTSBHOMSA-N 0 3 666.816 7.736 1 0 KKAFHN COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccccc4nc4c3CCCC4)oc2c1 ZINC000084596672 562743793 /nfs/dbraw/zinc/74/37/93/562743793.db2.gz ZGZSZRMYJSHPOQ-UHFFFAOYSA-N 0 3 585.745 7.200 1 0 KKAFHN Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc21 ZINC000084619871 562745350 /nfs/dbraw/zinc/74/53/50/562745350.db2.gz QDDFYHFHWWVLRP-UHFFFAOYSA-N 0 3 664.899 5.014 1 0 KKAFHN N[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084652472 562746529 /nfs/dbraw/zinc/74/65/29/562746529.db2.gz WHKHKRMWZFJQBP-IIXSRDTASA-N 0 3 543.600 5.661 1 0 KKAFHN Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652403 562746542 /nfs/dbraw/zinc/74/65/42/562746542.db2.gz BVBOTXZHHHFXGV-GKPJMAKXSA-N 0 3 592.743 8.209 1 0 KKAFHN CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 ZINC000084654380 562747256 /nfs/dbraw/zinc/74/72/56/562747256.db2.gz SBQAIYUBGADZLI-UHFFFAOYSA-N 0 3 565.711 5.065 1 0 KKAFHN Cc1cc(CN(C)C)sc1-c1cnc(N)c(-c2ccc(C(N)=O)c(O[C@H](C)c3ccccc3C(F)(F)F)c2)c1 ZINC000084654429 562747279 /nfs/dbraw/zinc/74/72/79/562747279.db2.gz OQOJDWGAZXHBJD-QGZVFWFLSA-N 0 3 554.638 6.687 1 0 KKAFHN COc1c(C(C)(C)C)cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000084668473 562747604 /nfs/dbraw/zinc/74/76/04/562747604.db2.gz XRYLRSPQAGGXGI-UHFFFAOYSA-N 0 3 590.843 9.079 1 0 KKAFHN COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CCN1C)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000084669643 562748042 /nfs/dbraw/zinc/74/80/42/562748042.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 0 3 594.708 6.556 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccc(-c5cncnc5)cc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084672508 562748795 /nfs/dbraw/zinc/74/87/95/562748795.db2.gz GIDNAZYCGIBNKS-YTTGMZPUSA-N 0 3 563.061 6.364 1 0 KKAFHN C[C@H](Oc1cc(-c2nc(-c3cccc(CN(C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712427 562750773 /nfs/dbraw/zinc/75/07/73/562750773.db2.gz QJRLRIHVMQQFHO-KRWDZBQOSA-N 0 3 535.570 5.712 1 0 KKAFHN Cc1nc([C@@H](C)N(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084712444 562750777 /nfs/dbraw/zinc/75/07/77/562750777.db2.gz GLKLNERYMVOUTP-GZGVDWRWSA-N 0 3 613.872 8.657 1 0 KKAFHN C[C@@H](Oc1cc(-c2nc(-c3cccc(CN(C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712429 562750802 /nfs/dbraw/zinc/75/08/02/562750802.db2.gz QJRLRIHVMQQFHO-QGZVFWFLSA-N 0 3 535.570 5.712 1 0 KKAFHN COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000084759420 562752923 /nfs/dbraw/zinc/75/29/23/562752923.db2.gz LGWUJYVVGNWGQS-UHFFFAOYSA-N 0 3 524.652 6.198 1 0 KKAFHN O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540083 562755516 /nfs/dbraw/zinc/75/55/16/562755516.db2.gz BHZYDNYEQNZRJY-FPGXKDDPSA-N 0 3 746.997 5.365 1 0 KKAFHN O=C([O-])[C@@H](CC1CCCCC1)[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000095543547 562757318 /nfs/dbraw/zinc/75/73/18/562757318.db2.gz DDFIOPXESZZFRO-AVXDPSIRSA-N 0 3 570.740 7.549 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095542029 562756474 /nfs/dbraw/zinc/75/64/74/562756474.db2.gz KBPBCEDQPUACDU-RWYGWLOXSA-N 0 3 759.908 5.023 1 0 KKAFHN O=C([O-])[C@@H](CC1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000095543547 562757319 /nfs/dbraw/zinc/75/73/19/562757319.db2.gz DDFIOPXESZZFRO-AVXDPSIRSA-N 0 3 570.740 7.549 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095543148 562757117 /nfs/dbraw/zinc/75/71/17/562757117.db2.gz WJEAYMAHIVBPGF-HUESYALOSA-N 0 3 773.733 8.325 1 0 KKAFHN CC[C@H]1OC(=O)C(C)=C([O-])[C@H](C)[C@@H](O[C@H]2C[C@@H]([NH+](C)C)C[C@@H](C)O2)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095551790 562760444 /nfs/dbraw/zinc/76/04/44/562760444.db2.gz HUENWTLOXJUFDB-RKBGGDOWSA-N 0 3 749.946 6.139 1 0 KKAFHN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2C[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095551790 562760445 /nfs/dbraw/zinc/76/04/45/562760445.db2.gz HUENWTLOXJUFDB-RKBGGDOWSA-N 0 3 749.946 6.139 1 0 KKAFHN C[C@H](N)C(=O)N(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1)CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000095558212 562762385 /nfs/dbraw/zinc/76/23/85/562762385.db2.gz RTSZNEVXBRXASI-NDEPHWFRSA-N 0 3 704.776 5.900 1 0 KKAFHN CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21)S(C)(=O)=O ZINC000095560012 562762965 /nfs/dbraw/zinc/76/29/65/562762965.db2.gz XJMBQSMRJLKLBY-OAHLLOKOSA-N 0 3 582.004 5.189 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566443 562765014 /nfs/dbraw/zinc/76/50/14/562765014.db2.gz PSWWDIXZTPANEG-JCGBMYGUSA-N 0 3 647.769 5.771 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566443 562765015 /nfs/dbraw/zinc/76/50/15/562765015.db2.gz PSWWDIXZTPANEG-JCGBMYGUSA-N 0 3 647.769 5.771 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095566759 562765257 /nfs/dbraw/zinc/76/52/57/562765257.db2.gz TWIGAEAIANFZGS-ASHZAFPQSA-N 0 3 602.629 5.841 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095566999 562765397 /nfs/dbraw/zinc/76/53/97/562765397.db2.gz GEPWAINBAFOOPW-FQWYTPLZSA-N 0 3 613.799 6.279 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567005 562765409 /nfs/dbraw/zinc/76/54/09/562765409.db2.gz DVQUFFYKIBJZKN-HSHANODTSA-N 0 3 656.827 7.432 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567087 562765468 /nfs/dbraw/zinc/76/54/68/562765468.db2.gz GQWDZONLPIYMSR-SYHDGPRRSA-N 0 3 672.826 7.557 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095567803 562766099 /nfs/dbraw/zinc/76/60/99/562766099.db2.gz XGMQKVJTWVADHD-MJZSVGSSSA-N 0 3 714.826 7.286 1 0 KKAFHN COc1cc(OC)nc([C@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)n1 ZINC000095568159 562766401 /nfs/dbraw/zinc/76/64/01/562766401.db2.gz SRILUZWRNIXOEA-WJOKGBTCSA-N 0 3 552.675 5.712 3 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568313 562766511 /nfs/dbraw/zinc/76/65/11/562766511.db2.gz GQPLODGYDYCVNT-PHKGMDLESA-N 0 3 650.625 5.084 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569241 562767308 /nfs/dbraw/zinc/76/73/08/562767308.db2.gz BZQGFEPSUFQXHE-RDXDNIQESA-N 0 3 648.225 6.160 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569241 562767309 /nfs/dbraw/zinc/76/73/09/562767309.db2.gz BZQGFEPSUFQXHE-RDXDNIQESA-N 0 3 648.225 6.160 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095570017 562767872 /nfs/dbraw/zinc/76/78/72/562767872.db2.gz FGZYRMRERWZGKV-BALWLHIASA-N 0 3 614.665 5.710 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570348 562768109 /nfs/dbraw/zinc/76/81/09/562768109.db2.gz OFYJPRSBIVOGOZ-LRZFZUCMSA-N 0 3 666.663 6.649 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570748 562768420 /nfs/dbraw/zinc/76/84/20/562768420.db2.gz CGLNLVFPHXEQAP-RYTUXRKISA-N 0 3 653.529 7.008 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570793 562768501 /nfs/dbraw/zinc/76/85/01/562768501.db2.gz ILRCCMQCDZZMAZ-DFRLRCAJSA-N 0 3 706.265 5.327 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570793 562768502 /nfs/dbraw/zinc/76/85/02/562768502.db2.gz ILRCCMQCDZZMAZ-DFRLRCAJSA-N 0 3 706.265 5.327 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095571359 562768986 /nfs/dbraw/zinc/76/89/86/562768986.db2.gz VEYXNSARLJIJRR-DOKVQHETSA-N 0 3 684.800 7.277 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095571494 562769045 /nfs/dbraw/zinc/76/90/45/562769045.db2.gz GVXBSEWFCYEYHS-WOEJUUGOSA-N 0 3 786.008 6.558 1 0 KKAFHN O=C(CCCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCNc1c2ccccc2nc2c1CCCC2 ZINC000095576819 562770733 /nfs/dbraw/zinc/77/07/33/562770733.db2.gz OKSRYUGDYGQOSF-UHFFFAOYSA-N 0 3 527.694 5.964 1 0 KKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577452 562770962 /nfs/dbraw/zinc/77/09/62/562770962.db2.gz AQMQWKFSMIRRJA-OGICNVKRSA-N 0 3 565.113 6.684 1 0 KKAFHN CC(=O)N[C@@H](Cc1ccc(C(F)(F)F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577800 562771084 /nfs/dbraw/zinc/77/10/84/562771084.db2.gz NOEBJLGZGKXWLU-CCDWMCETSA-N 0 3 551.625 5.272 1 0 KKAFHN CO[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000095579284 562771512 /nfs/dbraw/zinc/77/15/12/562771512.db2.gz XSKVQIBZHKGXKX-QVDUQQMDSA-N 0 3 501.026 5.461 1 0 KKAFHN CN(C)C/C=C/C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000095582631 562772648 /nfs/dbraw/zinc/77/26/48/562772648.db2.gz FXXJFJZPESCIJK-QPJJXVBHSA-N 0 3 558.992 5.873 1 0 KKAFHN CCOC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)C1CON(C(=S)Nc2cccc(Br)c2)C14 ZINC000095589148 562774902 /nfs/dbraw/zinc/77/49/02/562774902.db2.gz WOWUECLCMCKJGQ-OEUVZEAVSA-N 0 3 589.640 7.354 1 0 KKAFHN CCN(CC)CCn1c(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)ncc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095591164 562775512 /nfs/dbraw/zinc/77/55/12/562775512.db2.gz DPRSQULPXINYIP-UHFFFAOYSA-N 0 3 675.796 8.103 1 0 KKAFHN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(CN2CCc3cc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)ccc3C2)cc1 ZINC000095593501 562776220 /nfs/dbraw/zinc/77/62/20/562776220.db2.gz PQLHGJQPPYHFFK-UWXQCODUSA-N 0 3 683.853 5.589 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]C(C)(C)c4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095594502 562776497 /nfs/dbraw/zinc/77/64/97/562776497.db2.gz LQLCROADILIUGE-UHFFFAOYSA-N 0 3 554.687 6.862 1 0 KKAFHN O=C(N[C@H](C(=O)Nc1cc([C@H](O)CNCc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095596526 562776999 /nfs/dbraw/zinc/77/69/99/562776999.db2.gz DZUXVCBPFLNAAX-GPOMZPHUSA-N 0 3 613.714 6.347 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]Cc4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095596763 562777077 /nfs/dbraw/zinc/77/70/77/562777077.db2.gz XJKNQOMSWPOTHV-UHFFFAOYSA-N 0 3 526.633 6.127 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095598785 562777569 /nfs/dbraw/zinc/77/75/69/562777569.db2.gz KVYNYDNSHYPGTF-GHVZQYPWSA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599390 562778069 /nfs/dbraw/zinc/77/80/69/562778069.db2.gz KTOLAWMRFLMANX-WMVXZGOPSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599672 562778221 /nfs/dbraw/zinc/77/82/21/562778221.db2.gz UIKXZKCHSBRXDR-BWLKTWDLSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599672 562778222 /nfs/dbraw/zinc/77/82/22/562778222.db2.gz UIKXZKCHSBRXDR-BWLKTWDLSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095599666 562778248 /nfs/dbraw/zinc/77/82/48/562778248.db2.gz PBKGJIYWLALRHB-KMRPOYNRSA-N 0 3 660.815 6.504 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095599952 562778491 /nfs/dbraw/zinc/77/84/91/562778491.db2.gz KVYNYDNSHYPGTF-WYOWBBOASA-N 0 3 669.785 6.885 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600006 562778526 /nfs/dbraw/zinc/77/85/26/562778526.db2.gz CBQVGICLIDWTFD-CGQTXMLISA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600006 562778527 /nfs/dbraw/zinc/77/85/27/562778527.db2.gz CBQVGICLIDWTFD-CGQTXMLISA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600006 562778528 /nfs/dbraw/zinc/77/85/28/562778528.db2.gz CBQVGICLIDWTFD-CGQTXMLISA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600729 562779180 /nfs/dbraw/zinc/77/91/80/562779180.db2.gz UQRVVYXDOOLUAO-MJQNYGCISA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600729 562779181 /nfs/dbraw/zinc/77/91/81/562779181.db2.gz UQRVVYXDOOLUAO-MJQNYGCISA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095600968 562779377 /nfs/dbraw/zinc/77/93/77/562779377.db2.gz KTOLAWMRFLMANX-BGNUVLEZSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601988 562779815 /nfs/dbraw/zinc/77/98/15/562779815.db2.gz QMCFBRPLMVFDBX-GAQVVXLESA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601988 562779816 /nfs/dbraw/zinc/77/98/16/562779816.db2.gz QMCFBRPLMVFDBX-GAQVVXLESA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095601941 562779832 /nfs/dbraw/zinc/77/98/32/562779832.db2.gz XJOPVLQFFGEWNL-IQLGONJTSA-N 0 3 597.678 5.168 1 0 KKAFHN O=C(Nc1cc(Br)ccc1N1CCNCC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602213 562779935 /nfs/dbraw/zinc/77/99/35/562779935.db2.gz UXSNZUUICCVQKN-WCTVFOPTSA-N 0 3 503.400 5.090 1 0 KKAFHN CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095602420 562780114 /nfs/dbraw/zinc/78/01/14/562780114.db2.gz GFBOARZMZBDAJD-OXYPMYLPSA-N 0 3 573.738 5.286 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603041 562780293 /nfs/dbraw/zinc/78/02/93/562780293.db2.gz LZRMYYQDLQFCEK-ZBRJBXLDSA-N 0 3 728.809 7.006 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095603380 562780496 /nfs/dbraw/zinc/78/04/96/562780496.db2.gz ZBBNPLMVFVREHD-PNCWTNKOSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095603380 562780497 /nfs/dbraw/zinc/78/04/97/562780497.db2.gz ZBBNPLMVFVREHD-PNCWTNKOSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095603772 562780624 /nfs/dbraw/zinc/78/06/24/562780624.db2.gz KVYNYDNSHYPGTF-GAIIXZKLSA-N 0 3 669.785 6.885 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095603732 562780636 /nfs/dbraw/zinc/78/06/36/562780636.db2.gz ZBBNPLMVFVREHD-GBJJYOARSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095603732 562780637 /nfs/dbraw/zinc/78/06/37/562780637.db2.gz ZBBNPLMVFVREHD-GBJJYOARSA-N 0 3 719.867 6.742 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095605169 562781439 /nfs/dbraw/zinc/78/14/39/562781439.db2.gz LFZLAWVTNRSJHJ-JALBGMRZSA-N 0 3 735.866 6.442 1 0 KKAFHN CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H](NC2CCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000095615688 562787438 /nfs/dbraw/zinc/78/74/38/562787438.db2.gz FEUFUIYJXCOHJM-UIUQJESISA-N 0 3 757.524 5.512 1 0 KKAFHN COc1cc2c(cc1OCCCCCN1CCN(CCCCCOc3cc4c(cc3OC)C(=O)N3CC(F)(F)C[C@H]3C=N4)CC1)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000095615696 562787446 /nfs/dbraw/zinc/78/74/46/562787446.db2.gz GQNPTNQAXIZEAO-NSOVKSMOSA-N 0 3 786.868 6.251 1 0 KKAFHN COc1cccc(CN(C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095665893 562788203 /nfs/dbraw/zinc/78/82/03/562788203.db2.gz DIYZUOHLOSFTTI-BKZGZDJESA-N 0 3 555.719 5.344 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095700773 562788560 /nfs/dbraw/zinc/78/85/60/562788560.db2.gz AEAUQEWSZQQTML-OXYPMYLPSA-N 0 3 552.675 5.288 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095772492 562788932 /nfs/dbraw/zinc/78/89/32/562788932.db2.gz ZNTPGUKYHQEGJK-AWYDNWMNSA-N 0 3 640.756 6.543 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095850016 562789487 /nfs/dbraw/zinc/78/94/87/562789487.db2.gz SYWCYXHAIYXQLV-NKQBKRSGSA-N 0 3 640.124 5.512 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095850016 562789488 /nfs/dbraw/zinc/78/94/88/562789488.db2.gz SYWCYXHAIYXQLV-NKQBKRSGSA-N 0 3 640.124 5.512 1 0 KKAFHN CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCCN(C)C)cc2n1Cc1ccccc1 ZINC000096172083 562791237 /nfs/dbraw/zinc/79/12/37/562791237.db2.gz CFBLBYAIWLIWFQ-UHFFFAOYSA-N 0 3 505.609 5.962 1 0 KKAFHN COc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174115 562791681 /nfs/dbraw/zinc/79/16/81/562791681.db2.gz XDNUOJKCZLHVBJ-UHFFFAOYSA-N 0 3 572.673 5.848 1 0 KKAFHN O=C(NCCc1cccs1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174114 562791717 /nfs/dbraw/zinc/79/17/17/562791717.db2.gz MWOQSYNNLOPPDD-UHFFFAOYSA-N 0 3 576.730 5.621 1 0 KKAFHN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174136 562791764 /nfs/dbraw/zinc/79/17/64/562791764.db2.gz ITWFYXDYDCDHKY-UHFFFAOYSA-N 0 3 523.641 5.542 1 0 KKAFHN COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc2n[nH]c(C)c2c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177921 562792491 /nfs/dbraw/zinc/79/24/91/562792491.db2.gz XVAKMYLGYSJODB-UHFFFAOYSA-N 0 3 563.728 5.457 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(OCCN3CCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258647 562792952 /nfs/dbraw/zinc/79/29/52/562792952.db2.gz FOIYVDLETGQHDE-UHFFFAOYSA-N 0 3 510.598 5.018 1 0 KKAFHN C[C@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270052 562793111 /nfs/dbraw/zinc/79/31/11/562793111.db2.gz VPSJQWYDLMDCOQ-MHZLTWQESA-N 0 3 656.799 8.179 1 0 KKAFHN C[C@@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270073 562793124 /nfs/dbraw/zinc/79/31/24/562793124.db2.gz PDRCRSNEMYGWMI-JOCHJYFZSA-N 0 3 586.664 6.229 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2Cl)CC1 ZINC000096285409 562795667 /nfs/dbraw/zinc/79/56/67/562795667.db2.gz KOCOTUUHHFPNEF-PIKZIKFNSA-N 0 3 567.178 5.531 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285528 562795782 /nfs/dbraw/zinc/79/57/82/562795782.db2.gz VBKYKJZFJATBDB-MMTVBGGISA-N 0 3 657.565 5.100 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285536 562795803 /nfs/dbraw/zinc/79/58/03/562795803.db2.gz IYAXXUOLQDPMLM-SIBVEZHUSA-N 0 3 633.518 5.036 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(C(F)(F)F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903121 562797787 /nfs/dbraw/zinc/79/77/87/562797787.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 0 3 780.840 9.392 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccc([S@@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903704 562797972 /nfs/dbraw/zinc/79/79/72/562797972.db2.gz XJQISSRYLJVOQK-CBWMPJGPSA-N 0 3 623.646 7.114 1 0 KKAFHN CN(C[C@@H](CCN1CCC(N2CCCNC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903710 562798012 /nfs/dbraw/zinc/79/80/12/562798012.db2.gz LARXFZKZABEBQE-XMMPIXPASA-N 0 3 567.561 6.272 1 0 KKAFHN CCN1CCN(c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c[nH]c3=O)c(OC)c2)CC1 ZINC000096905628 562798584 /nfs/dbraw/zinc/79/85/84/562798584.db2.gz COMJDCJYPMUKSJ-MRXNPFEDSA-N 0 3 563.457 5.364 1 0 KKAFHN COc1cccc(CN2CCN(C[C@@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907751 562799193 /nfs/dbraw/zinc/79/91/93/562799193.db2.gz JIZBSLOZXTWCDC-QPJRMWCKSA-N 0 3 838.891 8.357 1 0 KKAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923598 562802146 /nfs/dbraw/zinc/80/21/46/562802146.db2.gz HBJAUIGRDDZSRE-SSEXGKCCSA-N 0 3 600.751 5.898 1 0 KKAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923598 562802147 /nfs/dbraw/zinc/80/21/47/562802147.db2.gz HBJAUIGRDDZSRE-SSEXGKCCSA-N 0 3 600.751 5.898 1 0 KKAFHN COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)c(F)c3)c2)cc1 ZINC000096932306 562803351 /nfs/dbraw/zinc/80/33/51/562803351.db2.gz YMJQDVLBCYWGJQ-UHFFFAOYSA-N 0 3 651.739 6.514 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3F)n2)cc1F ZINC000096935351 562804092 /nfs/dbraw/zinc/80/40/92/562804092.db2.gz TUGDKOZAGJNHHL-UHFFFAOYSA-N 0 3 658.681 6.179 1 0 KKAFHN O=C(OCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1)c1c2ccccc2n2c1OCCC2 ZINC000096938678 562804549 /nfs/dbraw/zinc/80/45/49/562804549.db2.gz UTKUAUJCYKQTFS-UHFFFAOYSA-N 0 3 548.647 5.340 1 0 KKAFHN O=C(OCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1)c1c2ccccc2n2c1OCCC2 ZINC000096938678 562804550 /nfs/dbraw/zinc/80/45/50/562804550.db2.gz UTKUAUJCYKQTFS-UHFFFAOYSA-N 0 3 548.647 5.340 1 0 KKAFHN CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2cc(OC)c3ccccc3n2)c[nH]1 ZINC000096941670 562805018 /nfs/dbraw/zinc/80/50/18/562805018.db2.gz GGIFZJMNKKQUBB-DEOSSOPVSA-N 0 3 505.663 5.062 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC ZINC000101132205 562809406 /nfs/dbraw/zinc/80/94/06/562809406.db2.gz AEJCTJSNUNXYQL-ZRZAMGCNSA-N 0 3 534.694 5.099 1 0 KKAFHN CC(C)N1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367540 562810424 /nfs/dbraw/zinc/81/04/24/562810424.db2.gz PAFOOYBINUNMGT-YHBQERECSA-N 0 3 586.144 6.123 1 0 KKAFHN CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367559 562810446 /nfs/dbraw/zinc/81/04/46/562810446.db2.gz DLQXAWIVHRHOQT-MEMLXQNLSA-N 0 3 558.090 5.345 1 0 KKAFHN CCCN1C(=S)N=C(C)C(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000102276424 562813108 /nfs/dbraw/zinc/81/31/08/562813108.db2.gz SOGSHTIKPQOWRS-VWLOTQADSA-N 0 3 531.644 6.240 1 0 KKAFHN O=C(CNc1c(Cl)cccc1Cl)NC1C=Cc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2C1=O ZINC000102935230 562813568 /nfs/dbraw/zinc/81/35/68/562813568.db2.gz AAHVZBOFTGNEMJ-FQEVSTJZSA-N 0 3 585.296 5.907 1 0 KKAFHN COc1ccc2ccccc2c1CN1CCOCCOCCN(Cc2c(OC)ccc3ccccc32)CCOCCOCC1 ZINC000102954290 562813699 /nfs/dbraw/zinc/81/36/99/562813699.db2.gz GBWBQAOVOFAEPQ-UHFFFAOYSA-N 0 3 602.772 5.394 1 0 KKAFHN O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135109 562814427 /nfs/dbraw/zinc/81/44/27/562814427.db2.gz GWTGUGUODHYXIX-JOCHJYFZSA-N 0 3 531.454 5.434 1 0 KKAFHN NC(=O)[C@]1(c2ccc(Br)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225018 562817691 /nfs/dbraw/zinc/81/76/91/562817691.db2.gz IPZXKSGWFMKWBD-JSCPRHNGSA-N 0 3 545.308 6.290 1 0 KKAFHN Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230127 562818137 /nfs/dbraw/zinc/81/81/37/562818137.db2.gz BRZGSSIWSSYQOZ-PGSXWIQSSA-N 0 3 520.460 7.532 1 0 KKAFHN COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(Cl)cc3)N1[C@@H]2c1ccccc1OC ZINC000103230143 562818161 /nfs/dbraw/zinc/81/81/61/562818161.db2.gz AVUVBKGKDCOGSY-VYMJWTMMSA-N 0 3 528.077 6.756 1 0 KKAFHN Clc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccccc3)N1[C@H]2c1ccccc1Cl ZINC000103231046 562818237 /nfs/dbraw/zinc/81/82/37/562818237.db2.gz OHPJBWPFNZCIEX-LZNHGYHVSA-N 0 3 502.470 7.392 1 0 KKAFHN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCN(CCO)CC2)c2ccccc21 ZINC000103233577 562818447 /nfs/dbraw/zinc/81/84/47/562818447.db2.gz NNDITEWNUACASZ-UHFFFAOYSA-N 0 3 526.559 5.707 1 0 KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234257 562818584 /nfs/dbraw/zinc/81/85/84/562818584.db2.gz YRUNMNHKXYFBTO-UHFFFAOYSA-N 0 3 587.592 5.046 1 0 KKAFHN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CCN(CCc1ccccc1)C2 ZINC000103239088 562819264 /nfs/dbraw/zinc/81/92/64/562819264.db2.gz FJJYRUPBDUQRHT-UHFFFAOYSA-N 0 3 548.565 7.017 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc3c(c2)NC(=O)C32CCN(C)CC2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243216 562819647 /nfs/dbraw/zinc/81/96/47/562819647.db2.gz PIRWRQQYRXWTII-CQSZACIVSA-N 0 3 515.416 5.832 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc3c(c2)C2(CCN(C)CC2)C(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243218 562819657 /nfs/dbraw/zinc/81/96/57/562819657.db2.gz YTLZVJCWUQHCKJ-CQSZACIVSA-N 0 3 515.416 5.832 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254009 562820638 /nfs/dbraw/zinc/82/06/38/562820638.db2.gz UOVSZRTTWLJPHE-KDAVHTTKSA-N 0 3 619.546 5.691 1 0 KKAFHN CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(CC3CCCCC3)c2)cc1CC1CCCCC1 ZINC000103257553 562820947 /nfs/dbraw/zinc/82/09/47/562820947.db2.gz LOJLJBGAZVUYTM-UHFFFAOYSA-N 0 3 535.769 7.482 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cc1 ZINC000103261567 562821450 /nfs/dbraw/zinc/82/14/50/562821450.db2.gz QUOBMNQDWKPDRI-UHFFFAOYSA-N 0 3 586.618 7.195 1 0 KKAFHN COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1O ZINC000103280717 562823528 /nfs/dbraw/zinc/82/35/28/562823528.db2.gz VSUIONUHPCBHSK-UHFFFAOYSA-N 0 3 505.250 6.171 1 0 KKAFHN COc1cc(OCCO)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000113332694 562826481 /nfs/dbraw/zinc/82/64/81/562826481.db2.gz AZHAEBMIAGBFPP-CKHSQSCFSA-N 0 3 630.544 5.901 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC([NH3+])CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114033374 562826915 /nfs/dbraw/zinc/82/69/15/562826915.db2.gz YIWKFQSELCAGGE-UHFFFAOYSA-N 0 3 544.055 5.928 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114034835 562826955 /nfs/dbraw/zinc/82/69/55/562826955.db2.gz BVSKHIIWHAYTKD-LJQANCHMSA-N 0 3 545.043 5.323 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037137 562827179 /nfs/dbraw/zinc/82/71/79/562827179.db2.gz ZJPPYHGKOYJMCX-LJQANCHMSA-N 0 3 530.028 5.538 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000114100111 562827732 /nfs/dbraw/zinc/82/77/32/562827732.db2.gz RVZYMIMTFMNCLX-HSZRJFAPSA-N 0 3 529.077 5.169 1 0 KKAFHN COc1ccc(OC)c(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100214 562827742 /nfs/dbraw/zinc/82/77/42/562827742.db2.gz MKFNPMPQCHBNBZ-OAQYLSRUSA-N 0 3 517.066 5.025 1 0 KKAFHN O=S(=O)([N-]CCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccs1 ZINC000114981506 562828682 /nfs/dbraw/zinc/82/86/82/562828682.db2.gz ZUNOQVCWMWEUEB-XMMPIXPASA-N 0 3 503.089 5.068 1 0 KKAFHN NCc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(Cl)c(-c2ccc3c(N)n[nH]c3c2)[nH]1 ZINC000115466654 562828900 /nfs/dbraw/zinc/82/89/00/562828900.db2.gz PKKLAAQPYSEUAW-QFIPXVFZSA-N 0 3 549.466 5.084 1 0 in-vitro KKAFHN CN1CC[C@H](c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CCCC7)c4CO)cn(C)c3=O)nc2)C1 ZINC000116053912 562829150 /nfs/dbraw/zinc/82/91/50/562829150.db2.gz MPJHYCDNGHGKCK-NRFANRHFSA-N 0 3 613.759 5.385 1 0 KKAFHN CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000116053775 562829170 /nfs/dbraw/zinc/82/91/70/562829170.db2.gz PPLDDAVPZCQAOG-MUUNZHRXSA-N 0 3 613.759 5.732 1 0 KKAFHN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CC5CCCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000117721979 562829854 /nfs/dbraw/zinc/82/98/54/562829854.db2.gz LHPJSVUGPVLCGE-UHFFFAOYSA-N 0 3 530.721 5.089 1 0 KKAFHN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118797935 562830672 /nfs/dbraw/zinc/83/06/72/562830672.db2.gz WKPFGADMDMLPOJ-ALRGGUNWSA-N 0 3 604.191 6.866 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000138486228 562831941 /nfs/dbraw/zinc/83/19/41/562831941.db2.gz XQNLVDIOICMCNT-UHFFFAOYSA-N 0 3 616.616 5.324 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2csnn2)n1 ZINC000138498507 562831977 /nfs/dbraw/zinc/83/19/77/562831977.db2.gz JEHGXRMCMGGVKK-UHFFFAOYSA-N 0 3 585.612 5.382 1 0 KKAFHN CCN1c2ccc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccccc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139568741 562832628 /nfs/dbraw/zinc/83/26/28/562832628.db2.gz PZCYDKAVVVBKMA-UHFFFAOYSA-N 0 3 584.717 5.230 1 0 KKAFHN CN1CC[C@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000139919211 562832846 /nfs/dbraw/zinc/83/28/46/562832846.db2.gz BYVKTKUNYXDYDU-DQUVTTBFSA-N 0 3 525.637 5.117 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCCC4)CC3)nc12 ZINC000140593415 562833149 /nfs/dbraw/zinc/83/31/49/562833149.db2.gz QSLHULBCQIRUQA-UHFFFAOYSA-N 0 3 591.642 5.390 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000140610144 562833245 /nfs/dbraw/zinc/83/32/45/562833245.db2.gz OYIXLQCMMGZJNM-UHFFFAOYSA-N 0 3 595.674 5.809 1 0 KKAFHN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C5CC5)CC4)cc3Cl)nc1-2 ZINC000141185384 562833580 /nfs/dbraw/zinc/83/35/80/562833580.db2.gz ULBCUHWWKRJYGA-UHFFFAOYSA-N 0 3 568.125 5.705 1 0 KKAFHN C[C@@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000142004418 562833902 /nfs/dbraw/zinc/83/39/02/562833902.db2.gz PIQWOQHEODPFLM-FTJBHMTQSA-N 0 3 561.782 8.868 1 0 KKAFHN [NH3+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000142555606 562834230 /nfs/dbraw/zinc/83/42/30/562834230.db2.gz CEZKXCISFFAHCY-RBBKRZOGSA-N 0 3 511.496 5.012 1 0 KKAFHN COc1cc(N2CCN(C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(Cl)c1)CC2 ZINC000143106011 562834619 /nfs/dbraw/zinc/83/46/19/562834619.db2.gz KKDSJPYLRKITAS-UHFFFAOYSA-N 0 3 600.167 5.273 1 0 KKAFHN CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326220 562836131 /nfs/dbraw/zinc/83/61/31/562836131.db2.gz STDFAKVCYZKPQE-BJKOFHAPSA-N 0 3 527.815 8.587 1 0 KKAFHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2 ZINC000145932724 562837774 /nfs/dbraw/zinc/83/77/74/562837774.db2.gz GHVVVLWBGOTOBA-UHFFFAOYSA-N 0 3 636.801 5.319 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@@H]3C)n1 ZINC000145958198 562837858 /nfs/dbraw/zinc/83/78/58/562837858.db2.gz HSIRDEQVAUEWFK-HNNXBMFYSA-N 0 3 604.029 6.207 1 0 KKAFHN C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C ZINC000146562276 562838700 /nfs/dbraw/zinc/83/87/00/562838700.db2.gz DCVITXJMCYHCFL-UHFFFAOYSA-N 0 3 534.064 5.163 1 0 KKAFHN O=C(NC1CCC(O)CC1)[C@@H]1N[C@H](CC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000146893770 562838868 /nfs/dbraw/zinc/83/88/68/562838868.db2.gz ZDYVCXVZHZFCCZ-CTPKDOPXSA-N 0 3 574.524 5.447 1 0 KKAFHN CN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c(F)c2)CC1 ZINC000147807374 562839677 /nfs/dbraw/zinc/83/96/77/562839677.db2.gz NOUVYWRJTCFRGO-UHFFFAOYSA-N 0 3 515.555 5.000 1 0 KKAFHN OC[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000148100846 562840235 /nfs/dbraw/zinc/84/02/35/562840235.db2.gz YAEJOANLERDYGA-WZJLIZBTSA-N 0 3 523.673 5.619 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148170580 562840411 /nfs/dbraw/zinc/84/04/11/562840411.db2.gz VKPLTNDXXKBIJZ-UHFFFAOYSA-N 0 3 579.631 5.315 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(F)(F)F)nc21 ZINC000148173099 562840478 /nfs/dbraw/zinc/84/04/78/562840478.db2.gz CDTLNQFUYGCDKN-UHFFFAOYSA-N 0 3 621.590 5.715 1 0 KKAFHN COc1ncc(-c2ccccc2Oc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)s1 ZINC000148464532 562841443 /nfs/dbraw/zinc/84/14/43/562841443.db2.gz WIEGDGUETMPIOA-UHFFFAOYSA-N 0 3 614.650 5.996 1 0 KKAFHN C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1 ZINC000148778969 562841770 /nfs/dbraw/zinc/84/17/70/562841770.db2.gz NNWHHZWGFMXAIM-ZEQRLZLVSA-N 0 3 513.697 8.124 1 0 KKAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C2CC2)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148775213 562841772 /nfs/dbraw/zinc/84/17/72/562841772.db2.gz WGEGYCKWUWQOIP-UHFFFAOYSA-N 0 3 589.725 5.314 1 0 KKAFHN CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3cnc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)N(C)C)[nH]c5c4)o3)ccc2[nH]1)c1ccccc1 ZINC000150599280 562846961 /nfs/dbraw/zinc/84/69/61/562846961.db2.gz TZDXGMWKFZFYGY-HTNZGVODSA-N 0 3 761.931 7.694 1 0 KKAFHN CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3ncc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)N(C)C)[nH]c5c4)o3)ccc2[nH]1)c1ccccc1 ZINC000150599280 562846962 /nfs/dbraw/zinc/84/69/62/562846962.db2.gz TZDXGMWKFZFYGY-HTNZGVODSA-N 0 3 761.931 7.694 1 0 KKAFHN CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3cnc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)N(C)C)nc5c4)o3)ccc2[nH]1)c1ccccc1 ZINC000150599280 562846963 /nfs/dbraw/zinc/84/69/63/562846963.db2.gz TZDXGMWKFZFYGY-HTNZGVODSA-N 0 3 761.931 7.694 1 0 KKAFHN CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(Cc3ccc(-c4ccccc4)cc3)c2)cc1Cc1ccc(-c2ccccc2)cc1 ZINC000150600835 562847192 /nfs/dbraw/zinc/84/71/92/562847192.db2.gz JZGURYSMRRAHRC-UHFFFAOYSA-N 0 3 675.869 9.752 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C[C@@H]3CCCCO3)nc21 ZINC000165274686 562849989 /nfs/dbraw/zinc/84/99/89/562849989.db2.gz RDQZQEGAGKTAEH-SANMLTNESA-N 0 3 651.738 5.746 1 0 KKAFHN COc1c(CNC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCOCC4)nc32)c1 ZINC000166221873 562850410 /nfs/dbraw/zinc/85/04/10/562850410.db2.gz WSKGCWQZEQANLA-UHFFFAOYSA-N 0 3 610.641 5.086 1 0 KKAFHN Cc1cn2c(n1)nc(-c1ccc(CN3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc1)c(-c1ccccc1)c2NC(C)C ZINC000167303244 562850713 /nfs/dbraw/zinc/85/07/13/562850713.db2.gz TZOOLGKFXCYWIR-UHFFFAOYSA-N 0 3 569.717 6.280 1 0 KKAFHN Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccccc5)cc4)C3)n[nH]2)n1 ZINC000167567832 562850984 /nfs/dbraw/zinc/85/09/84/562850984.db2.gz OXBHEIYIPWJXDL-UHFFFAOYSA-N 0 3 539.647 5.424 1 0 KKAFHN Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5CCCOCC5)cc4)c3)CC2)cs1 ZINC000168448871 562851394 /nfs/dbraw/zinc/85/13/94/562851394.db2.gz MCAYEGAYJGQRAY-ISILISOKSA-N 0 3 643.785 6.138 1 0 KKAFHN OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC000169304814 562853404 /nfs/dbraw/zinc/85/34/04/562853404.db2.gz AFRIOKCMPZHPKV-UHFFFAOYSA-N 0 3 513.628 7.049 3 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)OCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307062 562853728 /nfs/dbraw/zinc/85/37/28/562853728.db2.gz SLTCXVQIICRRLH-DHUJRADRSA-N 0 3 587.768 6.215 1 0 KKAFHN Cc1nn(-c2ncccc2-c2ncc[nH]2)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308850 562854191 /nfs/dbraw/zinc/85/41/91/562854191.db2.gz GEUSWMKIWGBJHY-UHFFFAOYSA-N 0 3 517.005 5.294 1 0 KKAFHN O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@H]1CN1CC[C@@H](O)C1 ZINC000169312094 562855276 /nfs/dbraw/zinc/85/52/76/562855276.db2.gz AQBIPWHIWZFQLT-FCHUYYIVSA-N 0 3 554.638 6.039 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000169317521 562855983 /nfs/dbraw/zinc/85/59/83/562855983.db2.gz UZVLCYSJIDJZJW-UHSQPCAPSA-N 0 3 509.568 6.741 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000169317793 562856046 /nfs/dbraw/zinc/85/60/46/562856046.db2.gz YWKQKXOEKQEVAI-RDGATRHJSA-N 0 3 527.505 6.606 1 0 KKAFHN O=c1c(CCCCCCN2CCN(c3ccccc3)CC2)c([O-])c2ccccc2n1CCC[NH+]1CCCCC1 ZINC000169319124 562856171 /nfs/dbraw/zinc/85/61/71/562856171.db2.gz QJVMWDGVNXQZNK-SSEXGKCCSA-N 0 3 530.757 5.481 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)n1 ZINC000169323271 562856984 /nfs/dbraw/zinc/85/69/84/562856984.db2.gz AWJOAMPQOUEKCN-ZBLYBZFDSA-N 0 3 523.628 6.113 1 0 KKAFHN COCCN1CCC[C@@H](Cn2c(=O)c3sc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2C)C1 ZINC000169323230 562856997 /nfs/dbraw/zinc/85/69/97/562856997.db2.gz AHVNWELDVAWIPM-HXUWFJFHSA-N 0 3 508.087 6.112 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324419 562857346 /nfs/dbraw/zinc/85/73/46/562857346.db2.gz QTBDNYWBQSZWHV-UHFFFAOYSA-N 0 3 605.827 7.773 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324440 562857353 /nfs/dbraw/zinc/85/73/53/562857353.db2.gz QQVRUADRNZCKIS-UHFFFAOYSA-N 0 3 647.908 8.943 1 0 KKAFHN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)N1CCCC1 ZINC000169333994 562859426 /nfs/dbraw/zinc/85/94/26/562859426.db2.gz CGIRVUMFIQDONS-PXMBAEQJSA-N 0 3 574.920 6.054 1 0 KKAFHN COC(=O)c1ccc([O-])c2c1C1(CN2c2ccccc2Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)CC[NH+](CC(C)(C)C)CC1 ZINC000169347489 562861958 /nfs/dbraw/zinc/86/19/58/562861958.db2.gz QJSULCVSZHCBLW-UHFFFAOYSA-N 0 3 639.866 8.270 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3Nc3cc(-c4ccccc4)on3)c3c2c(Cl)ccc3O)CC1 ZINC000169347475 562861970 /nfs/dbraw/zinc/86/19/70/562861970.db2.gz YEHUUIJQBIZJTM-UHFFFAOYSA-N 0 3 543.111 7.976 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(C(F)(F)F)cc3)c3c2c(Cl)ccc3O)CC1 ZINC000169348367 562862140 /nfs/dbraw/zinc/86/21/40/562862140.db2.gz KGCGMKGXHWLEDH-UHFFFAOYSA-N 0 3 587.086 8.240 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C1CC1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348500 562862292 /nfs/dbraw/zinc/86/22/92/562862292.db2.gz RIDWORDGQHDCCW-UVMMSNCQSA-N 0 3 610.799 5.670 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350401 562862816 /nfs/dbraw/zinc/86/28/16/562862816.db2.gz WMQYCMRSTBMSOT-UHFFFAOYSA-N 0 3 666.754 5.606 1 0 KKAFHN C[C@@H](NC(=O)CC(F)(F)F)c1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698645 562867403 /nfs/dbraw/zinc/86/74/03/562867403.db2.gz CVCGLNQVOVUMKD-HXUWFJFHSA-N 0 3 643.736 5.698 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(F)cc1Cl)CC2 ZINC000169702250 562868246 /nfs/dbraw/zinc/86/82/46/562868246.db2.gz FCDJXUXUILAZOL-UHFFFAOYSA-N 0 3 576.076 5.011 1 0 KKAFHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702437 562868398 /nfs/dbraw/zinc/86/83/98/562868398.db2.gz KHRZHCQCLPKAFW-UHFFFAOYSA-N 0 3 634.184 6.443 1 0 KKAFHN CC(C)c1nc(CN(C)C(=O)N2C[C@@H](N(C)C)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200629243 562873391 /nfs/dbraw/zinc/87/33/91/562873391.db2.gz KSIVSAIIPBDCII-LKMBZGFLSA-N 0 3 746.016 6.325 1 0 KKAFHN COc1ccccc1-c1c2nc(Nc3cnc(C4CCN(C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000205070381 562874916 /nfs/dbraw/zinc/87/49/16/562874916.db2.gz ISLMPOLNYSOVQB-UHFFFAOYSA-N 0 3 532.670 5.201 1 0 KKAFHN COc1ccc2nc(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000206708708 562876530 /nfs/dbraw/zinc/87/65/30/562876530.db2.gz QISXYXTUQWAAJT-UIOOFZCWSA-N 0 3 528.609 5.495 1 0 KKAFHN COc1cc(F)ccc1-c1c2cc(C(C)C)cc([N-]S(C)(=O)=O)c2[nH]c1C[N@H+](C)Cc1ccccc1 ZINC000219221856 562878020 /nfs/dbraw/zinc/87/80/20/562878020.db2.gz MFAGIEMFDDDLMT-UHFFFAOYSA-N 0 3 509.647 6.110 1 0 in-vitro KKAFHN COc1cc(F)ccc1-c1c2cc(C(C)C)cc([N-]S(C)(=O)=O)c2[nH]c1C[N@@H+](C)Cc1ccccc1 ZINC000219221856 562878021 /nfs/dbraw/zinc/87/80/21/562878021.db2.gz MFAGIEMFDDDLMT-UHFFFAOYSA-N 0 3 509.647 6.110 1 0 in-vitro KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000221458019 562878975 /nfs/dbraw/zinc/87/89/75/562878975.db2.gz DZVVTCMRQZXZRQ-UHFFFAOYSA-N 0 3 527.669 5.644 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCCN1CCCCC1 ZINC000224944843 562880706 /nfs/dbraw/zinc/88/07/06/562880706.db2.gz ACZWQXIJGVNQTN-UHFFFAOYSA-N 0 3 511.544 6.075 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000253634273 562882196 /nfs/dbraw/zinc/88/21/96/562882196.db2.gz MANLQMSVKREPRE-OTGSWXHFSA-N 0 3 725.983 5.359 1 0 KKAFHN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)cc1 ZINC000299823613 562882955 /nfs/dbraw/zinc/88/29/55/562882955.db2.gz RRSWBKBTNGRXIY-UHFFFAOYSA-N 0 3 522.645 6.763 1 0 KKAFHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc([C@H]3CC[C@H](c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](C(C)C)N(C)C)n4)CC3)cc2)c[nH]1)C(C)C ZINC000299826636 562883929 /nfs/dbraw/zinc/88/39/29/562883929.db2.gz MKNCFEZVUQNQCY-ICYFEJBQSA-N 0 3 714.956 6.535 1 0 KKAFHN CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\CN1CCCCC1 ZINC000299828140 562884366 /nfs/dbraw/zinc/88/43/66/562884366.db2.gz GYFJBUOSPWKVQK-OPEKNORGSA-N 0 3 591.087 7.199 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1CCCCC1 ZINC000299829323 562884822 /nfs/dbraw/zinc/88/48/22/562884822.db2.gz LQWAPQPWVQTHJK-UHFFFAOYSA-N 0 3 561.554 5.595 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000299830669 562885336 /nfs/dbraw/zinc/88/53/36/562885336.db2.gz OPIDTCHPOQQBHQ-UHFFFAOYSA-N 0 3 610.586 5.236 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5ccc(Cl)cc5nc5c4[C@H]4CC(C)=C[C@@H](C5)C4)c3[C@@H](C1)C2 ZINC000299831061 562885455 /nfs/dbraw/zinc/88/54/55/562885455.db2.gz IUFKKNRHNJARAQ-ZRTHHSRSSA-N 0 3 707.834 12.727 1 0 KKAFHN O=C(NCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299834820 562886567 /nfs/dbraw/zinc/88/65/67/562886567.db2.gz ZQFXENUXQNLUDE-UHFFFAOYSA-N 0 3 624.616 8.616 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c([O-])cc1O ZINC000299835209 562886778 /nfs/dbraw/zinc/88/67/78/562886778.db2.gz KXPSBWYDIUVSGL-KDURUIRLSA-N 0 3 503.643 6.370 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c([O-])cc1O ZINC000299835209 562886779 /nfs/dbraw/zinc/88/67/79/562886779.db2.gz KXPSBWYDIUVSGL-KDURUIRLSA-N 0 3 503.643 6.370 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c([O-])cc1O ZINC000299835214 562886785 /nfs/dbraw/zinc/88/67/85/562886785.db2.gz KXPSBWYDIUVSGL-RTBURBONSA-N 0 3 503.643 6.370 1 0 KKAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C[C@@H]4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299835587 562886900 /nfs/dbraw/zinc/88/69/00/562886900.db2.gz WSZRNNLGVAOXKP-RUZDIDTESA-N 0 3 582.749 5.479 1 0 KKAFHN CN1CCC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 ZINC000299836560 562887247 /nfs/dbraw/zinc/88/72/47/562887247.db2.gz NPDBZGWDNRJYIQ-NRFANRHFSA-N 0 3 542.647 6.610 1 0 KKAFHN CCc1c(C2CC[NH+](CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000299838657 562887910 /nfs/dbraw/zinc/88/79/10/562887910.db2.gz QTAMIHYZGWVETD-UHFFFAOYSA-N 0 3 558.702 7.013 1 0 KKAFHN CCc1c(C2CC[NH+](CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000299838657 562887911 /nfs/dbraw/zinc/88/79/11/562887911.db2.gz QTAMIHYZGWVETD-UHFFFAOYSA-N 0 3 558.702 7.013 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4Cl)cc3)ccc2OC)c1 ZINC000299839328 562888186 /nfs/dbraw/zinc/88/81/86/562888186.db2.gz SHNPBHPAFAXJNS-UHFFFAOYSA-N 0 3 557.090 7.417 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cccc(-c4cccc(OC5CCN(C)CC5)c4)c3)ccc2OC)c1 ZINC000299839584 562888269 /nfs/dbraw/zinc/88/82/69/562888269.db2.gz SOWWHPAYEBCMAO-UHFFFAOYSA-N 0 3 522.645 6.763 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CN(C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCCCO2 ZINC000299839893 562888344 /nfs/dbraw/zinc/88/83/44/562888344.db2.gz ZUVGMAYFYWUJBC-FXZPAHAQSA-N 0 3 716.877 5.372 1 0 KKAFHN COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3cccc(C(F)(F)F)c3)ccc2OC)c1 ZINC000299840020 562888407 /nfs/dbraw/zinc/88/84/07/562888407.db2.gz UTARUJBVGDKBQE-UHFFFAOYSA-N 0 3 618.696 7.502 1 0 KKAFHN CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(I)cc4)cc3)cc2)CC1 ZINC000299841466 562888894 /nfs/dbraw/zinc/88/88/94/562888894.db2.gz ZYKMNIOZEDDDEJ-UHFFFAOYSA-N 0 3 512.391 5.684 1 0 KKAFHN CC(C)NC(=O)[C@H]1CC[C@@H](n2c3cc(CN4CCC(C(C)(C)O)CC4)ccc3nc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000299853975 562891246 /nfs/dbraw/zinc/89/12/46/562891246.db2.gz SDMTZMWNCMEPHL-JIBACQESSA-N 0 3 627.752 6.546 1 0 KKAFHN CC(C)C[NH2+]Cc1c(C(=O)[O-])sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@@H]3CCN(C(C)C)C3)c12 ZINC000299856653 562891978 /nfs/dbraw/zinc/89/19/78/562891978.db2.gz DBAWVRYWKTVMEZ-AREMUKBSSA-N 0 3 592.850 6.802 1 0 KKAFHN O=C(CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 ZINC000299862854 562893677 /nfs/dbraw/zinc/89/36/77/562893677.db2.gz KDGTZQSMJGIXJK-DHUJRADRSA-N 0 3 594.800 5.238 1 0 KKAFHN CCN(CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864120 562894034 /nfs/dbraw/zinc/89/40/34/562894034.db2.gz LZNTUKFMGLSYSB-YCNHBXJWSA-N 0 3 559.710 6.182 1 0 KKAFHN CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCCN2CCN(CCO)CC2)[C@@]1(C)CC3 ZINC000299867078 562894787 /nfs/dbraw/zinc/89/47/87/562894787.db2.gz PUGSXIILQKYGKP-PFRRUMKWSA-N 0 3 556.876 6.694 1 0 KKAFHN COc1cc2oc(-c3ccc(OCC(=O)NCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299870660 562895493 /nfs/dbraw/zinc/89/54/93/562895493.db2.gz WQLUUKSZHSICTA-UHFFFAOYSA-N 0 3 672.178 6.954 1 0 KKAFHN O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCn2c3ccccc3sc2=O)CC1 ZINC000473083096 562896768 /nfs/dbraw/zinc/89/67/68/562896768.db2.gz MLAORVLYHRLZAJ-UHFFFAOYSA-N 0 3 524.756 5.098 1 0 KKAFHN CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(CCN(CCOCc1ccccc1)CCn1cnc2c1nc[nH]c2=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C ZINC000473108259 562898399 /nfs/dbraw/zinc/89/83/99/562898399.db2.gz LPBFLWOAHCAXLA-BCRBLDSWSA-N 0 3 799.910 5.549 1 0 KKAFHN Oc1ccc(C[C@H]2CN=C3C=C4N(CCc5ccccc5)[C@@H](Cc5ccc(O)cc5)CN4[C@@H](Cc4ccccc4)CN32)cc1 ZINC000473110414 562898527 /nfs/dbraw/zinc/89/85/27/562898527.db2.gz VWPLYVKTPGRSOH-AFEGWXKPSA-N 0 3 584.764 5.661 1 0 KKAFHN COc1ccccc1C[N@H+](C)CCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1 ZINC000473113551 562898812 /nfs/dbraw/zinc/89/88/12/562898812.db2.gz JGPRYZHRUVQQMM-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN COc1ccccc1C[N@@H+](C)CCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1 ZINC000473113551 562898813 /nfs/dbraw/zinc/89/88/13/562898813.db2.gz JGPRYZHRUVQQMM-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN C[NH2+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000473136116 562900954 /nfs/dbraw/zinc/90/09/54/562900954.db2.gz XPFCKKIXKGCBKW-UHFFFAOYSA-N 0 3 612.126 6.792 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473149913 562901552 /nfs/dbraw/zinc/90/15/52/562901552.db2.gz KSTZJULPHDWERN-GDLZYMKVSA-N 0 3 508.062 5.132 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152151 562901759 /nfs/dbraw/zinc/90/17/59/562901759.db2.gz WNKUFDKZDNWOCP-XGAFWQRZSA-N 0 3 510.078 6.062 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473152447 562901834 /nfs/dbraw/zinc/90/18/34/562901834.db2.gz UGEBTJZBDCKUJD-JGCGQSQUSA-N 0 3 550.143 6.302 1 0 KKAFHN CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3ccc4[nH]ccc4c3)ccc2OC(F)(F)F)c1 ZINC000473152660 562901849 /nfs/dbraw/zinc/90/18/49/562901849.db2.gz UXBZXPZHLCWZSV-UHFFFAOYSA-N 0 3 584.595 6.885 1 0 KKAFHN Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(F)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474610012 562905801 /nfs/dbraw/zinc/90/58/01/562905801.db2.gz ZCHJSOMCLMTGJP-UHFFFAOYSA-N 0 3 565.755 5.528 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000653708641 562907942 /nfs/dbraw/zinc/90/79/42/562907942.db2.gz BJPTWWXRRXRJMX-UHFFFAOYSA-N 0 3 561.086 5.304 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1ccccc1 ZINC000653712806 562908199 /nfs/dbraw/zinc/90/81/99/562908199.db2.gz QXQOBCBJOCQFRK-YTTGMZPUSA-N 0 3 507.634 5.772 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1cccc2ccccc21 ZINC000653714240 562908415 /nfs/dbraw/zinc/90/84/15/562908415.db2.gz FSIFTUHBPHJAAD-BHVANESWSA-N 0 3 557.694 6.925 1 0 KKAFHN Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653747928 562910488 /nfs/dbraw/zinc/91/04/88/562910488.db2.gz CQBVNWCZOHAILE-SFHVURJKSA-N 0 3 510.671 5.665 1 0 KKAFHN c1cc(N2CCOCC2)cc2nc(-c3ccc4c(c3)c3cc(-c5nc6cc(N7CCOCC7)ccc6[nH]5)ccc3n4CCCCN3CCOCC3)[nH]c12 ZINC000653825435 562914372 /nfs/dbraw/zinc/91/43/72/562914372.db2.gz WZRTUWCELCNSAP-UHFFFAOYSA-N 0 3 710.883 6.667 1 0 KKAFHN c1cc(N2CCOCC2)cc2[nH]c(-c3ccc4c(c3)c3cc(-c5nc6cc(N7CCOCC7)ccc6[nH]5)ccc3n4CCCCN3CCOCC3)nc12 ZINC000653825435 562914373 /nfs/dbraw/zinc/91/43/73/562914373.db2.gz WZRTUWCELCNSAP-UHFFFAOYSA-N 0 3 710.883 6.667 1 0 KKAFHN CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ncccc2CN)CC1 ZINC000653843536 562915044 /nfs/dbraw/zinc/91/50/44/562915044.db2.gz WUOMPFJUKOHHLL-NSJVFKKDSA-N 0 3 693.689 6.265 1 0 KKAFHN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000653845381 562915130 /nfs/dbraw/zinc/91/51/30/562915130.db2.gz IGAPVWITXJPENZ-DIPNUNPCSA-N 0 3 610.798 6.852 1 0 KKAFHN Cc1c(CN2CCN(c3ccccc3)CC2)c(CN2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000653846225 562915196 /nfs/dbraw/zinc/91/51/96/562915196.db2.gz LRRYQRCXCBURMZ-UHFFFAOYSA-N 0 3 554.182 6.392 1 0 KKAFHN CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000653884629 562916895 /nfs/dbraw/zinc/91/68/95/562916895.db2.gz JTRYMXBQTYBRPF-IOWSJCHKSA-N 0 3 535.688 5.627 1 0 KKAFHN C[C@@H]1CCc2nc3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4nc4c3C[C@@H](C)CC4)c2C1 ZINC000653907643 562917651 /nfs/dbraw/zinc/91/76/51/562917651.db2.gz WFTOWPHCMOXYKS-SZPZYZBQSA-N 0 3 575.628 8.268 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H]2N(C)CC3 ZINC000085530748 565135952 /nfs/dbraw/zinc/13/59/52/565135952.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 0 3 608.735 6.968 1 0 biogenic,in-vitro KKAFHN COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@@H](c2cccc(CO)c2)C2CCCCC2)cc1O ZINC000085568410 565143653 /nfs/dbraw/zinc/14/36/53/565143653.db2.gz MVVLRNXFWUYRPH-AIMZYSQMSA-N 0 3 693.837 7.565 1 0 biogenic,in-vitro KKAFHN CCCCCC(CCCCC)CC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631549 565165502 /nfs/dbraw/zinc/16/55/02/565165502.db2.gz BGCLWRJDVCZONY-QUQGEDSUSA-N 0 3 634.838 6.074 1 0 biogenic,in-vitro KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1[O-])C[C@H]3[NH2+]CC2 ZINC000085666521 291978607 /nfs/dbraw/zinc/97/86/07/291978607.db2.gz MQXGGMRXWGLPJV-AREMUKBSSA-N 0 3 578.665 6.333 1 0 biogenic,in-vitro KKAFHN COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001543203 561677176 /nfs/dbraw/zinc/67/71/76/561677176.db2.gz RTJYNDZSOVYLSA-LJAQVGFWSA-N 0 3 516.663 6.575 1 0 KKAFHN O=c1cc(NCCCN[C@@H]2CCNc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000003925580 561686521 /nfs/dbraw/zinc/68/65/21/561686521.db2.gz YXYUCGITAGFKSB-QGZVFWFLSA-N 0 3 506.242 5.002 1 0 KKAFHN CN(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003932384 561687743 /nfs/dbraw/zinc/68/77/43/561687743.db2.gz RKCYJNRDUDBTDT-QFIPXVFZSA-N 0 3 527.509 5.386 1 0 KKAFHN O=C(C1=C(c2ccc(CCCOc3cc(F)ccc3Br)cc2)CCNC1)N(Cc1ccccc1Cl)C1CC1 ZINC000003933563 561688069 /nfs/dbraw/zinc/68/80/69/561688069.db2.gz GNQKDXQPKKYVIX-UHFFFAOYSA-N 0 3 597.956 7.191 1 0 in-vitro KKAFHN CCOc1c(Br)cc(Br)cc1CN[C@H]1CCC[C@@H]1CNc1cc(=O)c2ccccc2[nH]1 ZINC000003948649 561690137 /nfs/dbraw/zinc/69/01/37/561690137.db2.gz AVRYAKFFWIGWDD-QRWLVFNGSA-N 0 3 549.307 5.822 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000003965949 561691538 /nfs/dbraw/zinc/69/15/38/561691538.db2.gz JEEOUWBWJFSMIP-IOWSJCHKSA-N 0 3 581.704 5.036 1 0 in-vitro KKAFHN CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000003987507 561693070 /nfs/dbraw/zinc/69/30/70/561693070.db2.gz IZGCSYKADOJJHC-JHOUSYSJSA-N 0 3 653.767 6.418 1 0 KKAFHN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1 ZINC000005438294 561695962 /nfs/dbraw/zinc/69/59/62/561695962.db2.gz MEETXPGMOAAZPG-AJQTZOPKSA-N 0 3 624.778 6.762 1 0 KKAFHN O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccc(F)cc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448530 561713338 /nfs/dbraw/zinc/71/33/38/561713338.db2.gz OANMKJFCXAFBPM-UHFFFAOYSA-N 0 3 503.593 5.269 1 0 KKAFHN CCN(CC)c1ccc(N2CCN(C[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651317 561723150 /nfs/dbraw/zinc/72/31/50/561723150.db2.gz XFUNZJAYNITYED-HKBQPEDESA-N 0 3 523.766 5.311 1 0 KKAFHN COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661217 561723486 /nfs/dbraw/zinc/72/34/86/561723486.db2.gz PPVOUBBMDYNPMN-FQEVSTJZSA-N 0 3 511.615 5.152 3 0 KKAFHN O=C(/C=C/c1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675657 561724059 /nfs/dbraw/zinc/72/40/59/561724059.db2.gz GFHYZPMZHCOIER-DTQAZKPQSA-N 0 3 501.074 7.050 1 0 KKAFHN COc1ccc2c(c1)[C@H](NC(=O)CCCN1CCN(c3ccc(F)cc3)CC1)[C@@H]1CCCC[C@H]1CS2 ZINC000013820106 561732595 /nfs/dbraw/zinc/73/25/95/561732595.db2.gz RINQYLCWBJBXTD-DQGPIALTSA-N 0 3 511.707 5.506 1 0 KKAFHN COc1ccc2c(c1)sc(-c1ccc(CO)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834310 561734192 /nfs/dbraw/zinc/73/41/92/561734192.db2.gz QLIQZGASQNDQNO-UHFFFAOYSA-N 0 3 501.648 6.165 1 0 KKAFHN NC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834319 561734202 /nfs/dbraw/zinc/73/42/02/561734202.db2.gz FQWDDMVTJPDJBJ-UHFFFAOYSA-N 0 3 500.620 5.469 1 0 KKAFHN COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@](O)(CCN(C)C)c1cccc(F)c1 ZINC000014020168 561736162 /nfs/dbraw/zinc/73/61/62/561736162.db2.gz TZNZMTAIOJDNJP-IAPPQJPRSA-N 0 3 523.446 6.116 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000014192185 561737534 /nfs/dbraw/zinc/73/75/34/561737534.db2.gz IQPWKAIEQBOLPJ-ROJLCIKYSA-N 0 3 583.754 5.875 1 0 in-vitro KKAFHN CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000014255596 561738600 /nfs/dbraw/zinc/73/86/00/561738600.db2.gz INJFMUAVDSEOMZ-VWLOTQADSA-N 0 3 563.783 7.416 1 0 KKAFHN CCCCCc1ccc(CN(C(=Nc2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000014255596 561738602 /nfs/dbraw/zinc/73/86/02/561738602.db2.gz INJFMUAVDSEOMZ-VWLOTQADSA-N 0 3 563.783 7.416 1 0 KKAFHN CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@H]5CCCN5C)c4)nc3c2)ccn1 ZINC000016052882 561754081 /nfs/dbraw/zinc/75/40/81/561754081.db2.gz KMNCFOUKJYOZIF-QGZVFWFLSA-N 0 3 507.978 5.245 1 0 KKAFHN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCS2)c1Cl ZINC000014963145 561748818 /nfs/dbraw/zinc/74/88/18/561748818.db2.gz KYTPBHITFYEVPE-UHFFFAOYSA-N 0 3 584.938 6.151 1 0 KKAFHN COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545716 561755980 /nfs/dbraw/zinc/75/59/80/561755980.db2.gz IQNOCJOXCXCTPY-QHCPKHFHSA-N 0 3 559.659 6.121 3 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CCN1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545845 561756130 /nfs/dbraw/zinc/75/61/30/561756130.db2.gz KMZREGRJNGBBIZ-DEOSSOPVSA-N 0 3 567.723 6.577 3 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CCN1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545848 561756189 /nfs/dbraw/zinc/75/61/89/561756189.db2.gz KMZREGRJNGBBIZ-XMMPIXPASA-N 0 3 567.723 6.577 3 0 KKAFHN COc1ccc(CN2CCN(C[C@@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000022448005 561759030 /nfs/dbraw/zinc/75/90/30/561759030.db2.gz IQGSRHMTIXSIET-JOCHJYFZSA-N 0 3 587.356 5.507 1 0 KKAFHN CC(C)(C)C(=O)O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022580987 561759476 /nfs/dbraw/zinc/75/94/76/561759476.db2.gz YBEIFGQJPMCNPV-DEOSSOPVSA-N 0 3 580.705 5.088 1 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 ZINC000022925844 561759753 /nfs/dbraw/zinc/75/97/53/561759753.db2.gz QPWGTBVZQDMKHE-UHFFFAOYSA-N 0 3 523.725 6.486 1 0 KKAFHN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000024815575 561762471 /nfs/dbraw/zinc/76/24/71/561762471.db2.gz VSJXTUFWPAOYLC-UHFFFAOYSA-N 0 3 686.810 6.225 1 0 in-vitro KKAFHN CCN(C)CCN(CCOCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000026019573 561766619 /nfs/dbraw/zinc/76/66/19/561766619.db2.gz UXBOJZYJDWUIHB-UHFFFAOYSA-N 0 3 639.769 6.634 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166157 561769147 /nfs/dbraw/zinc/76/91/47/561769147.db2.gz ANTJGNUUYFJSAJ-NZQKXSOJSA-N 0 3 509.071 5.742 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166162 561769151 /nfs/dbraw/zinc/76/91/51/561769151.db2.gz ANTJGNUUYFJSAJ-REWPJTCUSA-N 0 3 509.071 5.742 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166167 561769198 /nfs/dbraw/zinc/76/91/98/561769198.db2.gz ANTJGNUUYFJSAJ-NFBKMPQASA-N 0 3 509.071 5.742 1 0 KKAFHN COc1ccc(C[C@H](CN[C@@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168220 561769504 /nfs/dbraw/zinc/76/95/04/561769504.db2.gz JLQYRBBOFMIMNP-XUZZJYLKSA-N 0 3 504.652 5.097 1 0 KKAFHN COc1ccc([C@H](CCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1ccnc1 ZINC000026267290 561776538 /nfs/dbraw/zinc/77/65/38/561776538.db2.gz CNORTMXIZFGKGH-QNGWXLTQSA-N 0 3 629.867 8.139 1 0 KKAFHN CCCCCS[C@H](CCCCCN1CCc2cc(OC)c(OC)cc2C1)c1ccc(OC)c(OC)c1 ZINC000026275441 561778063 /nfs/dbraw/zinc/77/80/63/561778063.db2.gz JHMLCLNXGMKKNW-SSEXGKCCSA-N 0 3 515.760 7.304 1 0 KKAFHN CCCN(C(=O)Nc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026498140 561794690 /nfs/dbraw/zinc/79/46/90/561794690.db2.gz CUXOTFRTNXVNGO-NDEPHWFRSA-N 0 3 562.780 5.890 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000026397260 561787252 /nfs/dbraw/zinc/78/72/52/561787252.db2.gz MANLQMSVKREPRE-PYPNIHNUSA-N 0 3 725.983 5.359 1 0 KKAFHN COc1cc(Cn2c3ccccc3nc2-c2ccc(OCCn3cccn3)cc2)ccc1CN1CCCC1 ZINC000026402969 561788897 /nfs/dbraw/zinc/78/88/97/561788897.db2.gz FQRHPDMNYNGPKC-UHFFFAOYSA-N 0 3 507.638 5.632 1 0 KKAFHN CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000026484109 561792101 /nfs/dbraw/zinc/79/21/01/561792101.db2.gz BQIFXNSKBXZEIQ-CYFREDJKSA-N 0 3 517.640 5.264 1 0 KKAFHN CCCN(C(=O)NCc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496026 561794321 /nfs/dbraw/zinc/79/43/21/561794321.db2.gz XRRKFLBCLJVILR-PMERELPUSA-N 0 3 576.807 5.567 1 0 KKAFHN CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026501742 561795648 /nfs/dbraw/zinc/79/56/48/561795648.db2.gz NESOUKIOVGKPKU-SSEXGKCCSA-N 0 3 577.791 5.994 1 0 KKAFHN C[C@@H](N)C(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000026647600 561807751 /nfs/dbraw/zinc/80/77/51/561807751.db2.gz QBDQYYQDOAPAPB-XGCWNURASA-N 0 3 666.886 5.705 1 0 KKAFHN CCc1cc(Nc2cc(=O)n(CCCCN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)c(=O)[nH]2)ccc1C ZINC000026652316 561808620 /nfs/dbraw/zinc/80/86/20/561808620.db2.gz KFYHXPCEHZVDQU-UHFFFAOYSA-N 0 3 579.063 5.587 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026673348 561813102 /nfs/dbraw/zinc/81/31/02/561813102.db2.gz YATBQUKTOLYELE-UHFFFAOYSA-N 0 3 627.189 6.103 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026735673 561817371 /nfs/dbraw/zinc/81/73/71/561817371.db2.gz UWZCXFMGRUEOHE-OUDZLNJNSA-N 0 3 520.629 5.152 1 0 KKAFHN O=C1CC2(CCN(CC[C@@H](CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833525 561823548 /nfs/dbraw/zinc/82/35/48/561823548.db2.gz MGIDXWHXFOXZPR-PWUYWRBVSA-N 0 3 542.079 5.727 1 0 KKAFHN CC(C)([NH3+])CC(=O)N(Cc1ccccc1)[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026835606 561824249 /nfs/dbraw/zinc/82/42/49/561824249.db2.gz UUCSYRJGFJPMOY-JGCGQSQUSA-N 0 3 599.739 5.538 1 0 KKAFHN CC(C)([NH3+])CC(=O)N(Cc1ccccc1)[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026835606 561824250 /nfs/dbraw/zinc/82/42/50/561824250.db2.gz UUCSYRJGFJPMOY-JGCGQSQUSA-N 0 3 599.739 5.538 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026837945 561824871 /nfs/dbraw/zinc/82/48/71/561824871.db2.gz CPCUDQSFKDHFRK-SSEXGKCCSA-N 0 3 603.854 6.454 1 0 KKAFHN O=C(NCCN1CCCC1)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840442 561825582 /nfs/dbraw/zinc/82/55/82/561825582.db2.gz UCNDRGGJCFHDEO-PGUFJCEWSA-N 0 3 580.704 5.590 1 0 KKAFHN O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840418 561825586 /nfs/dbraw/zinc/82/55/86/561825586.db2.gz COQRQYDTULKQEN-SXKDACEVSA-N 0 3 576.162 5.132 1 0 KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 ZINC000026840447 561825592 /nfs/dbraw/zinc/82/55/92/561825592.db2.gz DDDKWJJIQKFHHH-UUWRZZSWSA-N 0 3 568.693 5.364 1 0 KKAFHN CC(C)(C)c1cc([C@H]2SCC(=O)N2CCCN(CCO)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000026841934 561825918 /nfs/dbraw/zinc/82/59/18/561825918.db2.gz JROGEIVTQALTED-GDLZYMKVSA-N 0 3 572.768 5.053 1 0 KKAFHN O=S(=O)(c1cccs1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026844276 561826202 /nfs/dbraw/zinc/82/62/02/561826202.db2.gz MDZZMKUJQUEUHZ-RRPNLBNLSA-N 0 3 524.752 5.002 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4nc(Cc5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000027108142 561840738 /nfs/dbraw/zinc/84/07/38/561840738.db2.gz GEDJITQRLAQHEL-QFBSZDFWSA-N 0 3 543.667 5.139 1 0 KKAFHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C ZINC000027215915 561848411 /nfs/dbraw/zinc/84/84/11/561848411.db2.gz QJWIKJQDFYXPFY-WOZUAGRISA-N 0 3 523.265 5.342 1 0 KKAFHN Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027316259 561851694 /nfs/dbraw/zinc/85/16/94/561851694.db2.gz VEKTWXXOIONPMB-QZLYUDJUSA-N 0 3 617.856 5.901 1 0 KKAFHN COc1cc(OCCN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430736 561859193 /nfs/dbraw/zinc/85/91/93/561859193.db2.gz LGXYJZXPHICFLX-SSEXGKCCSA-N 0 3 588.811 5.988 1 0 KKAFHN CCCC[C@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C ZINC000027441987 561860790 /nfs/dbraw/zinc/86/07/90/561860790.db2.gz NHQNXUAJLTWRDQ-SVEHJYQDSA-N 0 3 550.769 6.038 1 0 KKAFHN C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027525006 561865926 /nfs/dbraw/zinc/86/59/26/561865926.db2.gz CBIYBJFMBUATEB-WMPKNSHKSA-N 0 3 606.704 7.550 1 0 KKAFHN CC(C)CC1C(=O)N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027626432 561873179 /nfs/dbraw/zinc/87/31/79/561873179.db2.gz DGCFYCDTVAXPOR-AREMUKBSSA-N 0 3 560.609 5.048 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cc1)CC2 ZINC000027709643 561879451 /nfs/dbraw/zinc/87/94/51/561879451.db2.gz MPIJIUHDGCZSJS-UHFFFAOYSA-N 0 3 541.673 5.871 1 0 KKAFHN CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000027865203 561887569 /nfs/dbraw/zinc/88/75/69/561887569.db2.gz JWEKMVPNQIFETE-PMERELPUSA-N 0 3 593.794 5.207 1 0 KKAFHN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3cccc(Cl)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887115 561889564 /nfs/dbraw/zinc/88/95/64/561889564.db2.gz IRAHZTFWKBJEBI-PMERELPUSA-N 0 3 525.064 5.915 1 0 KKAFHN COc1cc2c(cc1OC[C@H](O)CN1CCCCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027987108 561892377 /nfs/dbraw/zinc/89/23/77/561892377.db2.gz TYILTPXOEDGRFG-HHHXNRCGSA-N 0 3 555.719 7.302 1 0 KKAFHN COc1cc(C(=O)N2COC(CCN3CCC4(C[S@@](=O)c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997743 561894167 /nfs/dbraw/zinc/89/41/67/561894167.db2.gz LQSUAQGHNGOZSB-XEDFXBRGSA-N 0 3 659.632 5.890 1 0 KKAFHN COc1ccc(OCCCCN2CCN(CCc3cc(OC)c(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C=O)c1 ZINC000028006024 561895500 /nfs/dbraw/zinc/89/55/00/561895500.db2.gz LJXKIMGZTFCYDE-UMSFTDKQSA-N 0 3 621.800 5.508 1 0 KKAFHN COc1ccc(OCCCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028008428 561895999 /nfs/dbraw/zinc/89/59/99/561895999.db2.gz LWRRCCPIMMTAQR-XIFFEERXSA-N 0 3 558.744 6.997 1 0 KKAFHN CCn1nc(-c2cccc3ccccc32)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011321 561896338 /nfs/dbraw/zinc/89/63/38/561896338.db2.gz ABERAISYKNNXRL-PHYCXYHLSA-N 0 3 622.829 7.791 1 0 KKAFHN CCn1nc(-c2cccc3ccccc32)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011321 561896340 /nfs/dbraw/zinc/89/63/40/561896340.db2.gz ABERAISYKNNXRL-PHYCXYHLSA-N 0 3 622.829 7.791 1 0 KKAFHN COc1ccc([C@@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028113949 561903485 /nfs/dbraw/zinc/90/34/85/561903485.db2.gz XYDCBDBLPIJGQD-RUZDIDTESA-N 0 3 505.490 5.815 1 0 KKAFHN Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028124676 561904775 /nfs/dbraw/zinc/90/47/75/561904775.db2.gz QMHHJGXDVINUBR-LJAQVGFWSA-N 0 3 539.582 5.804 1 0 KKAFHN Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1=O ZINC000028222565 561907551 /nfs/dbraw/zinc/90/75/51/561907551.db2.gz RRMBAANCMNHLRD-UHFFFAOYSA-N 0 3 540.729 6.770 1 0 KKAFHN CC(C)N(CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)Cc1ccccc1)C(C)C ZINC000028332025 561912913 /nfs/dbraw/zinc/91/29/13/561912913.db2.gz UUARZGDHGBOXLA-HKBQPEDESA-N 0 3 591.774 5.135 1 0 KKAFHN C[C@@](O)(CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235861 561909631 /nfs/dbraw/zinc/90/96/31/561909631.db2.gz JJRGEKBCROFWOB-MXUSWONHSA-N 0 3 540.695 5.633 1 0 KKAFHN C[C@@](O)(CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235861 561909633 /nfs/dbraw/zinc/90/96/33/561909633.db2.gz JJRGEKBCROFWOB-MXUSWONHSA-N 0 3 540.695 5.633 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235568 561909683 /nfs/dbraw/zinc/90/96/83/561909683.db2.gz YBQKEAUCKLRLLA-LXLYTFERSA-N 0 3 556.713 7.159 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235568 561909685 /nfs/dbraw/zinc/90/96/85/561909685.db2.gz YBQKEAUCKLRLLA-LXLYTFERSA-N 0 3 556.713 7.159 1 0 KKAFHN Cc1ccc(Cl)c(OC2([C@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3ccnc3)CCCCC2)c1 ZINC000028347698 561915200 /nfs/dbraw/zinc/91/52/00/561915200.db2.gz AFEMFTNPESLYFE-NDEPHWFRSA-N 0 3 534.104 6.148 1 0 KKAFHN Cc1ccc(Cl)c(OC2([C@@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)N(C)C)CCCCC2)c1 ZINC000028356115 561916247 /nfs/dbraw/zinc/91/62/47/561916247.db2.gz LQXZWLDWDGUVKO-HHHXNRCGSA-N 0 3 511.110 5.640 1 0 KKAFHN Cc1c(-c2csc(N(C)c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028360014 561916650 /nfs/dbraw/zinc/91/66/50/561916650.db2.gz MJRSTEUAPLZJTR-VWLOTQADSA-N 0 3 559.642 5.236 1 0 KKAFHN Cc1c(-c2csc(-c3ccccc3Cl)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028369548 561918051 /nfs/dbraw/zinc/91/80/51/561918051.db2.gz XADXSCOINDNOAE-DEOSSOPVSA-N 0 3 565.045 5.789 1 0 KKAFHN O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000028369809 561918086 /nfs/dbraw/zinc/91/80/86/561918086.db2.gz CATLUVQPBGZMNF-HHHXNRCGSA-N 0 3 558.541 5.210 1 0 KKAFHN O=C(CC[NH+]1CCCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028379075 561919788 /nfs/dbraw/zinc/91/97/88/561919788.db2.gz FVTWMYPHIWVRHU-UHFFFAOYSA-N 0 3 588.051 7.149 1 0 KKAFHN Cc1cc(C)c(-n2c3ccccc3n3c(CN(CCc4ccccc4)CCc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028462969 561925675 /nfs/dbraw/zinc/92/56/75/561925675.db2.gz NBHPUYIEXXKQAF-UHFFFAOYSA-N 0 3 580.698 8.510 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C[C@@H]2N)CC1 ZINC000028464401 561926015 /nfs/dbraw/zinc/92/60/15/561926015.db2.gz XLDGDUSCVKLZIR-MJSOWUPRSA-N 0 3 621.266 5.213 1 0 KKAFHN COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028476147 561928114 /nfs/dbraw/zinc/92/81/14/561928114.db2.gz SLGLZEJKMBCODK-XIFFEERXSA-N 0 3 546.775 5.695 1 0 in-vivo KKAFHN Cc1cccc(-c2ccccc2)c1CCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646360 561945099 /nfs/dbraw/zinc/94/50/99/561945099.db2.gz JBXYADWMJLOTTL-PGUFJCEWSA-N 0 3 542.787 6.119 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1 ZINC000028572586 561940281 /nfs/dbraw/zinc/94/02/81/561940281.db2.gz BDOAKUCQOMBQGQ-DFZDUAMZSA-N 0 3 536.589 5.575 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646379 561945152 /nfs/dbraw/zinc/94/51/52/561945152.db2.gz VDJPVMKXBQABSL-UMSFTDKQSA-N 0 3 546.750 5.949 1 0 KKAFHN O=C(CCOc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000028637740 561941812 /nfs/dbraw/zinc/94/18/12/561941812.db2.gz QAGXISPTVQTZFB-UHFFFAOYSA-N 0 3 533.116 7.196 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(OC(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646424 561945288 /nfs/dbraw/zinc/94/52/88/561945288.db2.gz VYSCESBFRQRQCI-UMSFTDKQSA-N 0 3 612.756 6.709 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(C(C)(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646403 561945318 /nfs/dbraw/zinc/94/53/18/561945318.db2.gz YJFGVOGMLJKANE-QNGWXLTQSA-N 0 3 584.868 7.108 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(Cl)cc2)CC1 ZINC000028646192 561944740 /nfs/dbraw/zinc/94/47/40/561944740.db2.gz NJQRVTFMTFWWTH-HKBQPEDESA-N 0 3 505.150 5.422 1 0 KKAFHN COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCCN(C)C)cc2)cc1 ZINC000028709283 561950622 /nfs/dbraw/zinc/95/06/22/561950622.db2.gz BCBBFKYJEZTSLR-YTTGMZPUSA-N 0 3 540.685 6.008 1 0 KKAFHN CN(C)Cc1ncc(C2=CC[C@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650307 561945889 /nfs/dbraw/zinc/94/58/89/561945889.db2.gz BIFFIEOCGJSJAA-FQEVSTJZSA-N 0 3 506.091 5.563 1 0 KKAFHN CN(C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000028650177 561945948 /nfs/dbraw/zinc/94/59/48/561945948.db2.gz VPGHDTVGVDIOJE-RFJFUGTDSA-N 0 3 591.193 5.557 1 0 KKAFHN CC(C)C(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702797 561947348 /nfs/dbraw/zinc/94/73/48/561947348.db2.gz KJIGJEKEYRGJIH-VWLOTQADSA-N 0 3 640.694 7.445 1 0 KKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704244 561948550 /nfs/dbraw/zinc/94/85/50/561948550.db2.gz RSPHCRBPUSTDAH-HHHXNRCGSA-N 0 3 568.139 5.631 1 0 KKAFHN O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704477 561948563 /nfs/dbraw/zinc/94/85/63/561948563.db2.gz ODLRYYFKCKZBFP-UHFFFAOYSA-N 0 3 523.612 5.011 1 0 KKAFHN O=C1N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1C1CCCCC1 ZINC000028704472 561948577 /nfs/dbraw/zinc/94/85/77/561948577.db2.gz KBQZRHPBPJPEKL-UHFFFAOYSA-N 0 3 515.633 5.143 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccc(N)nc5)cc4)CC3)C2=O)c1 ZINC000028704500 561948695 /nfs/dbraw/zinc/94/86/95/561948695.db2.gz FUZADFOVBMYWBQ-UHFFFAOYSA-N 0 3 565.649 5.482 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)c1 ZINC000028705171 561948952 /nfs/dbraw/zinc/94/89/52/561948952.db2.gz VTBHRQKJWZCVCL-AJQTZOPKSA-N 0 3 579.732 5.590 1 0 KKAFHN CCCN1C[C@H]2C(Cl)=C(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)S[C@@H]2C1 ZINC000028713128 561953738 /nfs/dbraw/zinc/95/37/38/561953738.db2.gz PWXYVVOGSGGNIT-IEBWSBKVSA-N 0 3 510.874 6.092 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc(C(F)(F)F)c1 ZINC000028714012 561954409 /nfs/dbraw/zinc/95/44/09/561954409.db2.gz AAYLREDRSLTKMS-UHFFFAOYSA-N 0 3 534.026 5.147 1 0 KKAFHN CN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028759323 561957604 /nfs/dbraw/zinc/95/76/04/561957604.db2.gz WLUJISQNPCWVHU-UHFFFAOYSA-N 0 3 531.500 6.931 1 0 KKAFHN O=c1[nH]c2ccccc2n1C1CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765176 561959418 /nfs/dbraw/zinc/95/94/18/561959418.db2.gz ADXFJIYJEFFOSY-XIFFEERXSA-N 0 3 591.583 6.814 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765218 561959536 /nfs/dbraw/zinc/95/95/36/561959536.db2.gz GLFJJJVLKJNYOY-XIFFEERXSA-N 0 3 577.596 7.457 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000028765293 561959569 /nfs/dbraw/zinc/95/95/69/561959569.db2.gz NCJWLSWXMPGOIS-XIFFEERXSA-N 0 3 577.596 7.570 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816238 561964120 /nfs/dbraw/zinc/96/41/20/561964120.db2.gz VIBSDCROEKUITE-NDOUMJCMSA-N 0 3 666.906 9.604 1 0 KKAFHN CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2C2CCN(C)CC2)cc1 ZINC000028823389 561967941 /nfs/dbraw/zinc/96/79/41/561967941.db2.gz SDJYNDYELPNANW-UHFFFAOYSA-N 0 3 531.745 6.784 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824071 561968832 /nfs/dbraw/zinc/96/88/32/561968832.db2.gz RHQSREKDRUDXIA-JBOQNHBVSA-N 0 3 599.141 6.974 1 0 KKAFHN C[C@@H](NCCCCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824129 561969049 /nfs/dbraw/zinc/96/90/49/561969049.db2.gz QTZHZSUFNWXXCM-HSZRJFAPSA-N 0 3 548.131 6.627 1 0 KKAFHN C[C@H](NCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824126 561969082 /nfs/dbraw/zinc/96/90/82/561969082.db2.gz KHIFGJZXVUNEIN-FQEVSTJZSA-N 0 3 506.050 5.456 1 0 KKAFHN CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)CN2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824377 561969526 /nfs/dbraw/zinc/96/95/26/561969526.db2.gz UUGWWDUNCOPXGB-XMMPIXPASA-N 0 3 600.682 6.068 1 0 KKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000028827095 561971526 /nfs/dbraw/zinc/97/15/26/561971526.db2.gz XGCIBUPOYFXPRN-UHFFFAOYSA-N 0 3 512.551 6.241 1 0 KKAFHN Cc1ccc(CN2CCc3c(c(=O)n(C[C@H]4CCCCN4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864197 561972739 /nfs/dbraw/zinc/97/27/39/561972739.db2.gz ISNGXRPSKCDGJO-GDLZYMKVSA-N 0 3 598.738 5.566 1 0 KKAFHN Cc1c2ccccc2sc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2C(F)(F)F)C1 ZINC000028864164 561972756 /nfs/dbraw/zinc/97/27/56/561972756.db2.gz IUUWULWFDTYCPB-UHFFFAOYSA-N 0 3 665.757 5.867 1 0 KKAFHN COc1ccccc1N(C(=O)c1ccccc1)C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000028869978 561973996 /nfs/dbraw/zinc/97/39/96/561973996.db2.gz YJRKUTHRZOUCHT-UHFFFAOYSA-N 0 3 535.688 6.170 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 ZINC000028870612 561974111 /nfs/dbraw/zinc/97/41/11/561974111.db2.gz FAURKORJKUNELM-JHOUSYSJSA-N 0 3 601.755 5.625 1 0 KKAFHN COc1ccccc1N1CCN(CCc2cccc(OCCOCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873155 561974671 /nfs/dbraw/zinc/97/46/71/561974671.db2.gz SUSCQNVRTVBUTE-UHFFFAOYSA-N 0 3 694.917 5.908 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CCN(C)Cc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874809 561975269 /nfs/dbraw/zinc/97/52/69/561975269.db2.gz XVXQCAYRXMTFHP-UMSFTDKQSA-N 0 3 584.805 6.383 1 0 KKAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2Cl)CC1 ZINC000028895512 561979038 /nfs/dbraw/zinc/97/90/38/561979038.db2.gz DMOCNKLRPVVFNF-NDEPHWFRSA-N 0 3 574.574 5.465 1 0 KKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(N3CCN(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957138 561983201 /nfs/dbraw/zinc/98/32/01/561983201.db2.gz LMXSTCBEJZYBKI-JTSKRJEESA-N 0 3 515.542 6.423 1 0 KKAFHN O=C(Nc1nc2ccc(C(=O)N3CCC[C@H](NCc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967556 561985378 /nfs/dbraw/zinc/98/53/78/561985378.db2.gz LDZJYSFVYNCVIH-SANMLTNESA-N 0 3 526.706 6.363 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973028 561986097 /nfs/dbraw/zinc/98/60/97/561986097.db2.gz IYLHYGYMFPEIIC-WJOKGBTCSA-N 0 3 591.716 5.034 1 0 KKAFHN COc1ccc(NC(=O)[C@H](NCCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976253 561986779 /nfs/dbraw/zinc/98/67/79/561986779.db2.gz ORFHNVHFZNOITK-SSEXGKCCSA-N 0 3 550.684 6.257 1 0 KKAFHN Nc1ccccc1NC(=O)c1cc2ccc([C@H](NCCc3ccccc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976306 561986902 /nfs/dbraw/zinc/98/69/02/561986902.db2.gz VCMASJJHEZFVSU-PMERELPUSA-N 0 3 534.685 5.926 1 0 KKAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000028977876 561987490 /nfs/dbraw/zinc/98/74/90/561987490.db2.gz ROMYLFSTEDMJGG-PMERELPUSA-N 0 3 605.743 5.229 1 0 KKAFHN COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028977998 561987599 /nfs/dbraw/zinc/98/75/99/561987599.db2.gz QEEMISQABWDGFJ-LJAQVGFWSA-N 0 3 550.707 5.129 1 0 KKAFHN CC(C)CCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038674 561989199 /nfs/dbraw/zinc/98/91/99/561989199.db2.gz IJWOVXYTICBRTE-QFZWGZQFSA-N 0 3 550.545 5.051 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039326 561989739 /nfs/dbraw/zinc/98/97/39/561989739.db2.gz DIPQOIDSXYFTQU-HJOGWXRNSA-N 0 3 524.027 5.484 1 0 KKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000029048869 561993775 /nfs/dbraw/zinc/99/37/75/561993775.db2.gz XWANAAQNGSFIMZ-ONUIUJJFSA-N 0 3 520.555 6.158 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cocn4)c3=O)CC2)C(C)C)c1 ZINC000029061978 561995893 /nfs/dbraw/zinc/99/58/93/561995893.db2.gz TUJJXSMSKFHTFP-MUUNZHRXSA-N 0 3 518.658 5.287 1 0 KKAFHN C[C@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125401 561997453 /nfs/dbraw/zinc/99/74/53/561997453.db2.gz ASQPNMCVHWLECS-HNNXBMFYSA-N 0 3 530.839 5.460 1 0 KKAFHN NC1(C(=O)NCCOc2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000029125484 561997584 /nfs/dbraw/zinc/99/75/84/561997584.db2.gz CWORPHHUFUMQPV-UHFFFAOYSA-N 0 3 542.850 5.604 1 0 KKAFHN O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000029125680 561997954 /nfs/dbraw/zinc/99/79/54/561997954.db2.gz DCUGLDJCNYGNBB-UHFFFAOYSA-N 0 3 511.087 5.144 1 0 KKAFHN CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@H]2CCCN2C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029130020 562002284 /nfs/dbraw/zinc/00/22/84/562002284.db2.gz DHCDUDRKAXLPJS-YIXXDRMTSA-N 0 3 608.680 7.322 1 0 KKAFHN COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3nc(-c4ccccc4)cs3)c2c1 ZINC000029133285 562003551 /nfs/dbraw/zinc/00/35/51/562003551.db2.gz BSAUJKOGNGJSIC-SANMLTNESA-N 0 3 518.683 6.245 1 0 KKAFHN CN(CCCN(C)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000029205333 562005090 /nfs/dbraw/zinc/00/50/90/562005090.db2.gz YGTRQVAACOTRKH-UHFFFAOYSA-N 0 3 660.821 6.568 1 0 KKAFHN CCOc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029328211 562013594 /nfs/dbraw/zinc/01/35/94/562013594.db2.gz IXHHUENDPWGBBM-DEOSSOPVSA-N 0 3 532.493 6.229 1 0 KKAFHN COc1ccc([C@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000029329245 562013638 /nfs/dbraw/zinc/01/36/38/562013638.db2.gz XNDRHSZPAQLJFC-QHCPKHFHSA-N 0 3 518.466 5.839 1 0 KKAFHN COc1cccc([C@@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)c1 ZINC000029340467 562015117 /nfs/dbraw/zinc/01/51/17/562015117.db2.gz NMNYYJCTQPXJPZ-HSZRJFAPSA-N 0 3 518.466 5.839 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000029345912 562016245 /nfs/dbraw/zinc/01/62/45/562016245.db2.gz BHGNIOZAEHGIME-GWBOUZQDSA-N 0 3 700.969 5.158 1 0 KKAFHN COCCN(CCCc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1)CCOC ZINC000029462958 562023349 /nfs/dbraw/zinc/02/33/49/562023349.db2.gz CFVRXJPMTXGEQM-DEPSEAIFSA-N 0 3 717.948 5.034 1 0 KKAFHN CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029468436 562024969 /nfs/dbraw/zinc/02/49/69/562024969.db2.gz AEHVGXRWBYJEPN-UHFFFAOYSA-N 0 3 593.193 8.038 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000029486058 562028348 /nfs/dbraw/zinc/02/83/48/562028348.db2.gz GGHNBTBENUTEQV-UWXQCODUSA-N 0 3 654.940 6.739 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](CCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc21 ZINC000029489533 562029065 /nfs/dbraw/zinc/02/90/65/562029065.db2.gz YEOXHNNQFZRYKV-MHZLTWQESA-N 0 3 586.585 5.424 1 0 KKAFHN C[NH+](C)CCCc1c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc32)[nH]c2c1CCCC2 ZINC000029554110 562031850 /nfs/dbraw/zinc/03/18/50/562031850.db2.gz QSIYXTWOIMVWPM-XLNRJJMWSA-N 0 3 539.101 5.335 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@]2(C(C)C)Sc3ccccc3N(C)C2=O)c1 ZINC000029559042 562032653 /nfs/dbraw/zinc/03/26/53/562032653.db2.gz IKLCHMLRANLYKN-YTTGMZPUSA-N 0 3 578.731 5.824 1 0 KKAFHN CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755079 562037638 /nfs/dbraw/zinc/03/76/38/562037638.db2.gz CEWVFZWVXADRCT-DHIUTWEWSA-N 0 3 513.788 8.197 1 0 KKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(OC(F)(F)F)cc1 ZINC000034026896 562038131 /nfs/dbraw/zinc/03/81/31/562038131.db2.gz CLSJINYGOBMXCX-UHFFFAOYSA-N 0 3 524.583 7.134 1 0 KKAFHN Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 ZINC000034983916 562044199 /nfs/dbraw/zinc/04/41/99/562044199.db2.gz SCUGTCMSRMQNNQ-UHFFFAOYSA-N 0 3 506.532 7.211 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160563 562048515 /nfs/dbraw/zinc/04/85/15/562048515.db2.gz JEOIMYUIHSWTEE-DITALETJSA-N 0 3 613.818 7.581 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160555 562048529 /nfs/dbraw/zinc/04/85/29/562048529.db2.gz JEOIMYUIHSWTEE-BZKUTMRRSA-N 0 3 613.818 7.581 1 0 KKAFHN O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000036161714 562048953 /nfs/dbraw/zinc/04/89/53/562048953.db2.gz IQPWKAIEQBOLPJ-ZWXJPIIXSA-N 0 3 583.754 5.875 1 0 KKAFHN COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285737 562054342 /nfs/dbraw/zinc/05/43/42/562054342.db2.gz HQACQGVVMYJUAG-JPYJTQIMSA-N 0 3 526.043 5.941 1 0 KKAFHN COc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285734 562054352 /nfs/dbraw/zinc/05/43/52/562054352.db2.gz HQACQGVVMYJUAG-MBSDFSHPSA-N 0 3 526.043 5.941 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036285891 562054511 /nfs/dbraw/zinc/05/45/11/562054511.db2.gz SQEAQRQNAZSYNN-JPYJTQIMSA-N 0 3 524.027 5.962 1 0 KKAFHN CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(CNCc3ccccc3)c2c1=O ZINC000036331628 562056714 /nfs/dbraw/zinc/05/67/14/562056714.db2.gz OIBUEABKOSYMBA-UHFFFAOYSA-N 0 3 568.695 6.262 1 0 KKAFHN Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)s2)c1 ZINC000036338819 562057295 /nfs/dbraw/zinc/05/72/95/562057295.db2.gz XXYYDISQRRATPH-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1cccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)s2)c1 ZINC000036338819 562057297 /nfs/dbraw/zinc/05/72/97/562057297.db2.gz XXYYDISQRRATPH-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN CCCCN1CC[C@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351499 562058465 /nfs/dbraw/zinc/05/84/65/562058465.db2.gz UTAPFVCSIYSFAD-UIOOFZCWSA-N 0 3 530.635 5.445 1 0 KKAFHN COc1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351515 562058557 /nfs/dbraw/zinc/05/85/57/562058557.db2.gz HJNSJDPMBGSSML-OROMBRFGSA-N 0 3 548.625 5.445 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C5CC5)c4)C[C@H]23)CC1 ZINC000036351599 562058671 /nfs/dbraw/zinc/05/86/71/562058671.db2.gz LYKBDAXLAVPDQQ-IWGZPIKUSA-N 0 3 568.137 5.419 1 0 KKAFHN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000036758584 562061433 /nfs/dbraw/zinc/06/14/33/562061433.db2.gz YOVKYZJMWCAPJA-UHFFFAOYSA-N 0 3 656.784 6.216 1 0 KKAFHN CC(C)CCN1[C@H](C)CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150642 562066440 /nfs/dbraw/zinc/06/64/40/562066440.db2.gz KQBOOGKXOGILHG-UIUQJESISA-N 0 3 536.713 5.564 1 0 KKAFHN CC(C)CCN1[C@H](C)CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150640 562066471 /nfs/dbraw/zinc/06/64/71/562066471.db2.gz KQBOOGKXOGILHG-KEKPKEOLSA-N 0 3 536.713 5.564 1 0 KKAFHN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000038157238 562068620 /nfs/dbraw/zinc/06/86/20/562068620.db2.gz FJGKVFWXFGAENH-BWKNWUBXSA-N 0 3 559.585 5.799 1 0 KKAFHN CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157514 562069297 /nfs/dbraw/zinc/06/92/97/562069297.db2.gz VLRKCLYSNVDLNZ-KCWXNJEJSA-N 0 3 572.768 5.052 1 0 KKAFHN CN(C)C[C@@H](Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC000040395254 562074361 /nfs/dbraw/zinc/07/43/61/562074361.db2.gz JPHDHYXYIFJMAG-AREMUKBSSA-N 0 3 507.074 5.794 1 0 KKAFHN COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C(C)C)CC1 ZINC000040565935 562077997 /nfs/dbraw/zinc/07/79/97/562077997.db2.gz UXRQRZIFXJASNI-UHFFFAOYSA-N 0 3 503.470 6.179 1 0 KKAFHN O=C1[C@H](c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 ZINC000040567239 562078005 /nfs/dbraw/zinc/07/80/05/562078005.db2.gz OEQCBZMNIVNUIK-SFHVURJKSA-N 0 3 517.375 6.277 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2ccccc2nc2c1CCCC2 ZINC000040979400 562087358 /nfs/dbraw/zinc/08/73/58/562087358.db2.gz HUDCDZLLNLJTEW-MHZLTWQESA-N 0 3 527.669 5.259 1 0 KKAFHN COc1c(C)cnc(CSc2nc3ccc(-c4ccc5nc(SCc6ncc(C)c(OC)c6C)[nH]c5c4)cc3[nH]2)c1C ZINC000042805166 562089063 /nfs/dbraw/zinc/08/90/63/562089063.db2.gz OXSJVYGSJWKPOG-UHFFFAOYSA-N 0 3 596.782 7.732 1 0 KKAFHN COc1ccc(C[C@H]2NCCc3cc(OC)c(O)cc32)cc1Oc1ccc(C(=O)C2=NCCc3cc(OC)c(O)cc32)cc1 ZINC000085646381 560067018 /nfs/dbraw/zinc/06/70/18/560067018.db2.gz HJKAMHCROYZVKL-HHHXNRCGSA-N 0 3 594.664 5.574 1 0 biogenic,in-vitro KKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC(c2ccccc2O)CC1 ZINC000043123623 562646264 /nfs/dbraw/zinc/64/62/64/562646264.db2.gz OXKPYWCKPYZUOE-UHFFFAOYSA-N 0 3 526.603 5.755 1 0 KKAFHN CCc1c(C(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000043196435 562646758 /nfs/dbraw/zinc/64/67/58/562646758.db2.gz STWYWUGMZLRNAY-UHFFFAOYSA-N 0 3 612.605 8.458 1 0 KKAFHN O=C(c1ccccc1)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000043409250 562648261 /nfs/dbraw/zinc/64/82/61/562648261.db2.gz IFPJMRDNXYCDKH-UHFFFAOYSA-N 0 3 541.638 6.613 1 0 KKAFHN NCc1cccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000043531875 562649189 /nfs/dbraw/zinc/64/91/89/562649189.db2.gz ZBYIIHICCOWNLU-NOCHOARKSA-N 0 3 600.763 5.491 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccccc4)c3Cl)c2n1 ZINC000044052740 562651857 /nfs/dbraw/zinc/65/18/57/562651857.db2.gz JBYLGDAZPRPUNQ-UHFFFAOYSA-N 0 3 629.610 5.782 1 0 KKAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044306788 562653840 /nfs/dbraw/zinc/65/38/40/562653840.db2.gz MHUJDBRPTZFLGV-LMSSTIIKSA-N 0 3 592.662 5.368 1 0 KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CC[C@H](C)N3CC(C)C)ncn2)s1 ZINC000044352525 562655198 /nfs/dbraw/zinc/65/51/98/562655198.db2.gz QSMKDSHSYVNTOC-SBUREZEXSA-N 0 3 612.678 6.970 1 0 KKAFHN COc1ccc(COc2ccc(CN3CCC(C(=O)Nc4ccc5c(c4)CCc4nnc(C)n4-5)CC3)cc2OC)cc1OC ZINC000044360777 562655636 /nfs/dbraw/zinc/65/56/36/562655636.db2.gz NSMQHRBZWZFCOR-UHFFFAOYSA-N 0 3 597.716 5.130 1 0 KKAFHN CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044387963 562656243 /nfs/dbraw/zinc/65/62/43/562656243.db2.gz ZAOPQQSGRPEDAY-KMRXNPHXSA-N 0 3 544.567 6.285 1 0 KKAFHN COc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)CC2)c1 ZINC000045167135 562658008 /nfs/dbraw/zinc/65/80/08/562658008.db2.gz IDINOJQYORVIHD-UHFFFAOYSA-N 0 3 532.128 6.089 1 0 KKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167582 562658016 /nfs/dbraw/zinc/65/80/16/562658016.db2.gz IKDJAOXFRNRZIU-MUUNZHRXSA-N 0 3 533.738 6.163 1 0 KKAFHN CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045168552 562658178 /nfs/dbraw/zinc/65/81/78/562658178.db2.gz HFFFPBHPXGOZNK-FQEVSTJZSA-N 0 3 500.630 6.983 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045190156 562658425 /nfs/dbraw/zinc/65/84/25/562658425.db2.gz MEJKIBRHTNWGNT-JGCGQSQUSA-N 0 3 518.721 5.133 1 0 KKAFHN c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)oc1CNCCN1CCOCC1 ZINC000045191151 562658486 /nfs/dbraw/zinc/65/84/86/562658486.db2.gz LBTUEHMXNFJWHL-UHFFFAOYSA-N 0 3 520.633 6.453 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(CN2CCC(c3c[nH]c4ccc(O)cc43)CC2)c1 ZINC000045227300 562659411 /nfs/dbraw/zinc/65/94/11/562659411.db2.gz SMTNWHKLZIQMSO-WEVVVXLNSA-N 0 3 520.460 7.212 1 0 KKAFHN COCCNCc1cccc(-c2ccccc2CN(C(=O)c2ccc3c(c2)OCO3)c2ccc(OC)cc2)c1 ZINC000045228300 562659528 /nfs/dbraw/zinc/65/95/28/562659528.db2.gz JJACYLQBDQRGIB-UHFFFAOYSA-N 0 3 524.617 5.674 1 0 KKAFHN O=C(NCCCCN1CCN(c2ccc3c(c2)CCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000045230709 562659633 /nfs/dbraw/zinc/65/96/33/562659633.db2.gz SATQECHKEAAPOP-UHFFFAOYSA-N 0 3 531.100 5.413 1 0 KKAFHN Cc1ncccc1-c1cccc2c(NC(=O)Nc3ccc4nccc(N5CCN(C)CC5)c4c3)cccc21 ZINC000045231175 562659705 /nfs/dbraw/zinc/65/97/05/562659705.db2.gz XXKMOOKLEQVXIX-UHFFFAOYSA-N 0 3 502.622 6.154 1 0 KKAFHN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000045245713 562659732 /nfs/dbraw/zinc/65/97/32/562659732.db2.gz QWNBSJOCJVHVKS-UHFFFAOYSA-N 0 3 526.660 5.606 1 0 KKAFHN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000045245473 562659740 /nfs/dbraw/zinc/65/97/40/562659740.db2.gz KPQJQZXAXPLRFI-UHFFFAOYSA-N 0 3 526.660 5.606 1 0 in-vivo KKAFHN Cc1ccc2c(c1)nc(N1CCCC1)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045253726 562659863 /nfs/dbraw/zinc/65/98/63/562659863.db2.gz OWBJDMRAJLJHRC-UHFFFAOYSA-N 0 3 534.708 6.001 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCOc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000045302503 562660628 /nfs/dbraw/zinc/66/06/28/562660628.db2.gz NJMRBFHKXPEDSH-UMSFTDKQSA-N 0 3 544.759 5.647 1 0 KKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045323447 562661155 /nfs/dbraw/zinc/66/11/55/562661155.db2.gz LIXGLNMGABGNOR-UHFFFAOYSA-N 0 3 502.873 6.607 1 0 KKAFHN CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)c2)cc1 ZINC000045372728 562662272 /nfs/dbraw/zinc/66/22/72/562662272.db2.gz IBYCIYXZTCCNFB-UHFFFAOYSA-N 0 3 505.924 5.483 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCCC1 ZINC000045495840 562662690 /nfs/dbraw/zinc/66/26/90/562662690.db2.gz XCWSAVXACRBMPF-GGAORHGYSA-N 0 3 512.663 5.622 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C(=C\c4ccc(Cl)cc4Cl)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000048307328 562662957 /nfs/dbraw/zinc/66/29/57/562662957.db2.gz BESVQLANLXKVAK-WZRZKRJLSA-N 0 3 652.622 8.072 1 0 KKAFHN COc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1CN(C)CCCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000048307395 562663098 /nfs/dbraw/zinc/66/30/98/562663098.db2.gz KSUAJGPNMYTDRA-UHFFFAOYSA-N 0 3 590.640 5.202 1 0 KKAFHN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)s2)CC1 ZINC000048308880 562663171 /nfs/dbraw/zinc/66/31/71/562663171.db2.gz SXBMYVYETIFOHH-UHFFFAOYSA-N 0 3 558.535 5.857 1 0 KKAFHN COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(OC)ccc21 ZINC000049053880 562663886 /nfs/dbraw/zinc/66/38/86/562663886.db2.gz IFCSDJGUXGRSFR-YTTGMZPUSA-N 0 3 513.634 6.396 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCC3)CCO2)CC1 ZINC000049605176 562665470 /nfs/dbraw/zinc/66/54/70/562665470.db2.gz REQMUYNNDGAIKX-WJOKGBTCSA-N 0 3 557.562 6.251 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049605425 562665860 /nfs/dbraw/zinc/66/58/60/562665860.db2.gz NFKIBYINFWGIMG-JARZOMNASA-N 0 3 564.966 6.666 1 0 KKAFHN CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)o1)c1ccccc1 ZINC000049605477 562665902 /nfs/dbraw/zinc/66/59/02/562665902.db2.gz ZCBVZHNAVGSWGM-GDLZYMKVSA-N 0 3 545.643 6.685 1 0 KKAFHN CCN(CC)CCN(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1CCc1cccc(F)c1F)CCC2 ZINC000049605524 562665955 /nfs/dbraw/zinc/66/59/55/562665955.db2.gz LBUONYPDIVXTRP-UHFFFAOYSA-N 0 3 694.789 7.284 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3c(Br)[nH]c4ccccc43)CC2)CC1 ZINC000049605608 562666087 /nfs/dbraw/zinc/66/60/87/562666087.db2.gz YUFPYYCZFNIGLQ-SOFGYWHQSA-N 0 3 575.378 7.369 1 0 KKAFHN CC(=O)Nc1ccc(C[N@@H+]2CCc3ccc([N-]S(=O)(=O)c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3CC2)s1 ZINC000049625699 562666827 /nfs/dbraw/zinc/66/68/27/562666827.db2.gz VJWRKIPITVFNSA-UHFFFAOYSA-N 0 3 599.700 6.794 1 0 KKAFHN CC(=O)Nc1ccc(C[N@H+]2CCc3ccc([N-]S(=O)(=O)c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3CC2)s1 ZINC000049625699 562666828 /nfs/dbraw/zinc/66/68/28/562666828.db2.gz VJWRKIPITVFNSA-UHFFFAOYSA-N 0 3 599.700 6.794 1 0 KKAFHN CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCCS1(=O)=O ZINC000049626650 562667270 /nfs/dbraw/zinc/66/72/70/562667270.db2.gz VEXFGDDUOVDOTH-BHDXBOSCSA-N 0 3 670.798 5.837 1 0 KKAFHN O=c1cc(NCC[C@H](CNCc2cc3ccccc3o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049626737 562667322 /nfs/dbraw/zinc/66/73/22/562667322.db2.gz SDROXRZCBIRXDT-HSZRJFAPSA-N 0 3 624.377 6.550 1 0 KKAFHN O=C(CCc1cccc(O)c1)NC[C@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049626812 562667419 /nfs/dbraw/zinc/66/74/19/562667419.db2.gz SLAFDJAMGDMAFA-SANMLTNESA-N 0 3 642.392 5.641 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049639957 562667833 /nfs/dbraw/zinc/66/78/33/562667833.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 0 3 734.293 8.781 1 0 KKAFHN COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CCN2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1 ZINC000049639918 562667851 /nfs/dbraw/zinc/66/78/51/562667851.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 0 3 742.869 8.382 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049650158 562668023 /nfs/dbraw/zinc/66/80/23/562668023.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 0 3 712.843 8.373 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)cc([C@@H](C)O)c2)c1 ZINC000049650248 562668042 /nfs/dbraw/zinc/66/80/42/562668042.db2.gz IXJVBGCZQGVESS-GHOOYHSOSA-N 0 3 649.710 5.149 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCN(CCN(Cc1ccccc1)Cc1ccccc1)CCN(Cc1ccccc1)Cc1ccccc1 ZINC000049694993 562670086 /nfs/dbraw/zinc/67/00/86/562670086.db2.gz QYKNYRVSOKBIMP-UHFFFAOYSA-N 0 3 668.329 9.007 1 0 KKAFHN CN(C)CCN1C(=O)c2cccc3c(N4CCN(CC=C(c5ccccc5)c5ccccc5)CC4)ccc(c32)C1=O ZINC000049695139 562670219 /nfs/dbraw/zinc/67/02/19/562670219.db2.gz UYUDUKVVIMLPSM-UHFFFAOYSA-N 0 3 544.699 5.251 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](CC)c2cccc(Cl)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710365 562671637 /nfs/dbraw/zinc/67/16/37/562671637.db2.gz ULUFTMCPJDOCPU-RWSKJCERSA-N 0 3 613.224 5.145 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)Cc4ccc(Br)c5ccccc45)CC3)c2c1 ZINC000049710585 562671722 /nfs/dbraw/zinc/67/17/22/562671722.db2.gz SZPJREVFRZSTCZ-NDEPHWFRSA-N 0 3 548.481 5.016 1 0 KKAFHN COC(=O)Nc1ccc(-c2ccc(C(=O)NC3CCN(C[C@H](O)c4ccnc5ccc(OC)cc54)CC3)cc2)c(C)c1 ZINC000049711253 562672006 /nfs/dbraw/zinc/67/20/06/562672006.db2.gz UPKZYQMOZDIMGM-HKBQPEDESA-N 0 3 568.674 5.325 1 0 KKAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](Nc2cccs2)NC1 ZINC000049722881 562672639 /nfs/dbraw/zinc/67/26/39/562672639.db2.gz CJNFIXOAWVPWLI-NFAPWKBDSA-N 0 3 570.750 5.039 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049723014 562672793 /nfs/dbraw/zinc/67/27/93/562672793.db2.gz ZXGPPVLESGLDOR-FNORWQNLSA-N 0 3 558.337 6.450 1 0 KKAFHN Cc1ccc(C(OC[C@H](O)CN2CCCN(C[C@@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049723217 562673083 /nfs/dbraw/zinc/67/30/83/562673083.db2.gz XQCPRRIYLNZGGI-LJEWAXOPSA-N 0 3 636.877 6.562 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049723231 562673122 /nfs/dbraw/zinc/67/31/22/562673122.db2.gz KWOJGLWJTMKOGT-UNVMMQEESA-N 0 3 633.793 5.163 1 0 KKAFHN COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2CCc2cccc(F)c2F)CCC3)CC1 ZINC000049723261 562673135 /nfs/dbraw/zinc/67/31/35/562673135.db2.gz KJZQKZKMRGGYPN-UHFFFAOYSA-N 0 3 707.784 7.226 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)CC(C)C)CCO2)CC1 ZINC000049723310 562673185 /nfs/dbraw/zinc/67/31/85/562673185.db2.gz CTULACSGASNQTB-PMERELPUSA-N 0 3 545.551 6.107 1 0 KKAFHN O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745243 562673771 /nfs/dbraw/zinc/67/37/71/562673771.db2.gz GUNSFAQQGCFKPF-BVSLBCMMSA-N 0 3 539.454 5.558 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(/C=C/c2ccco2)nc(=O)c2ccccc21 ZINC000049745506 562673924 /nfs/dbraw/zinc/67/39/24/562673924.db2.gz BJTUNORDDYYJHY-FMQUCBEESA-N 0 3 628.695 7.216 1 0 KKAFHN O=c1cc(NCCCNCc2csc(Br)c2Sc2ccc(Cl)cc2)[nH]c2ccccc12 ZINC000049745614 562673963 /nfs/dbraw/zinc/67/39/63/562673963.db2.gz VWANQTMUMXRPQP-UHFFFAOYSA-N 0 3 534.932 6.749 1 0 KKAFHN COc1ccc(C2CCN(CCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1 ZINC000049745708 562673991 /nfs/dbraw/zinc/67/39/91/562673991.db2.gz NXJHGCUPQCYTRF-UHFFFAOYSA-N 0 3 536.072 5.609 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049746049 562674209 /nfs/dbraw/zinc/67/42/09/562674209.db2.gz RJLWTIWBORUOFS-UHFFFAOYSA-N 0 3 648.918 6.819 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049746651 562674537 /nfs/dbraw/zinc/67/45/37/562674537.db2.gz GFHYQYKEVCHEJJ-UHFFFAOYSA-N 0 3 620.864 6.038 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3O)c2cc1OCCCN1CCN(C)CC1 ZINC000049756158 562674851 /nfs/dbraw/zinc/67/48/51/562674851.db2.gz DPYASQWYHILTBI-UHFFFAOYSA-N 0 3 556.692 5.381 1 0 KKAFHN COc1ccc2nc(-c3ccc(Nc4ncnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)cc3)sc2c1 ZINC000049756419 562674988 /nfs/dbraw/zinc/67/49/88/562674988.db2.gz MOQBNQNUPNPLCH-UHFFFAOYSA-N 0 3 570.719 5.684 1 0 KKAFHN CN(C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)N1c1ccccc1 ZINC000049756911 562675298 /nfs/dbraw/zinc/67/52/98/562675298.db2.gz QTRSZPGOWFRCSK-LJAQVGFWSA-N 0 3 571.678 5.443 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2N(C)c1ccc(-c2nc3ccccc3s2)c(OC)c1 ZINC000049756916 562675306 /nfs/dbraw/zinc/67/53/06/562675306.db2.gz NSXLLHJZQNFGCH-UHFFFAOYSA-N 0 3 584.746 5.708 1 0 KKAFHN CCOC(=O)c1nccn1-c1ccc(NC(=O)[C@@H](Oc2cccc3sc(C(=N)N)cc32)c2ccccc2)cc1 ZINC000049766983 562677308 /nfs/dbraw/zinc/67/73/08/562677308.db2.gz QNQQOCOEVIOOFR-VWLOTQADSA-N 0 3 539.617 5.307 1 0 KKAFHN C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCCC1 ZINC000049771131 562677954 /nfs/dbraw/zinc/67/79/54/562677954.db2.gz HKWKWMRIXJMVCH-CJAUYULYSA-N 0 3 530.065 5.263 1 0 KKAFHN C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCCC1 ZINC000049771130 562677964 /nfs/dbraw/zinc/67/79/64/562677964.db2.gz HKWKWMRIXJMVCH-BVZFJXPGSA-N 0 3 530.065 5.263 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@H]4C[C@@]4(c4ccc(Br)cc4)C3)n2C)n1 ZINC000049774623 562678657 /nfs/dbraw/zinc/67/86/57/562678657.db2.gz VUFRFPUOFHXBBM-HRFSGMKKSA-N 0 3 534.527 5.857 1 0 KKAFHN Cc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 ZINC000049777030 562679572 /nfs/dbraw/zinc/67/95/72/562679572.db2.gz POQVHRORJJLKKH-YTTGMZPUSA-N 0 3 614.831 5.336 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[C@H]2COCCN2)ncn1 ZINC000049777421 562680019 /nfs/dbraw/zinc/68/00/19/562680019.db2.gz XPIADKIXMMYTSD-VWLOTQADSA-N 0 3 630.675 6.319 1 0 KKAFHN COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C3(CC3)CNC2)C2CC2)c1C ZINC000049777940 562680693 /nfs/dbraw/zinc/68/06/93/562680693.db2.gz MWTQWVAUSOFVSS-UHFFFAOYSA-N 0 3 607.141 7.275 1 0 KKAFHN CCN(CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778357 562681233 /nfs/dbraw/zinc/68/12/33/562681233.db2.gz HEILVIDOVAHKRM-CKOYEXALSA-N 0 3 648.267 5.183 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccc(Cl)cc4)c3Cl)c2n1 ZINC000049780035 562681272 /nfs/dbraw/zinc/68/12/72/562681272.db2.gz PLOQALCOMRVEGB-UHFFFAOYSA-N 0 3 664.055 6.435 1 0 KKAFHN NC[C@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780778 562682228 /nfs/dbraw/zinc/68/22/28/562682228.db2.gz ARKBMNLTGFBKCG-NRFANRHFSA-N 0 3 581.918 7.245 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)c(Cl)s1)C1CCCCC1 ZINC000049780945 562682468 /nfs/dbraw/zinc/68/24/68/562682468.db2.gz ZQUTYGKFEAAOSB-NWVWQQAFSA-N 0 3 539.145 5.953 1 0 KKAFHN CN(C)CCN(C)C(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)cc1 ZINC000049784011 562683410 /nfs/dbraw/zinc/68/34/10/562683410.db2.gz JWQRJKUZDUQDNX-UHFFFAOYSA-N 0 3 702.734 7.985 1 0 KKAFHN CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1 ZINC000049785224 562683916 /nfs/dbraw/zinc/68/39/16/562683916.db2.gz UTFRBPAGKUDDNY-NSOVKSMOSA-N 0 3 591.799 6.507 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2cccc(Cl)c2)s1)C1CCCCC1 ZINC000049793746 562685123 /nfs/dbraw/zinc/68/51/23/562685123.db2.gz DCNHHLAXABEHQZ-WYRQLCSISA-N 0 3 539.145 5.953 1 0 KKAFHN O=C(Nc1ccccc1)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049802303 562685634 /nfs/dbraw/zinc/68/56/34/562685634.db2.gz PLQOKDSGXCSTPR-UHFFFAOYSA-N 0 3 588.716 5.811 1 0 KKAFHN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CCN(CC)CC5)cc43)ccc2s1 ZINC000049807909 562686556 /nfs/dbraw/zinc/68/65/56/562686556.db2.gz OPNQRXYNYMDNRJ-UHFFFAOYSA-N 0 3 549.697 5.180 1 0 KKAFHN CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000049841425 562688359 /nfs/dbraw/zinc/68/83/59/562688359.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 0 3 708.896 8.349 1 0 KKAFHN CS(=O)(=O)n1ccc2c1cccc2OCCCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049898232 562692343 /nfs/dbraw/zinc/69/23/43/562692343.db2.gz PMNRZVRQMPJDNZ-UHFFFAOYSA-N 0 3 641.155 8.224 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(NC(=O)c4cnc5ccccc5c4)c(OC)c(OC)c3)cc1)CC2 ZINC000049898348 562692497 /nfs/dbraw/zinc/69/24/97/562692497.db2.gz VNOXYKVYYQPXIW-UHFFFAOYSA-N 0 3 646.744 6.375 1 0 KKAFHN O=C(Cc1ccccc1)N[C@@H](CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049908042 562693434 /nfs/dbraw/zinc/69/34/34/562693434.db2.gz JVRCCBYTGCVJSV-MHZLTWQESA-N 0 3 558.937 6.331 1 0 KKAFHN CCN1CCN(Cc2ccc3[nH]c(-c4cc(C)n(Cc5cc(Cl)ccc5OCc5ccccc5)n4)nc3c2)CC1 ZINC000049917567 562693571 /nfs/dbraw/zinc/69/35/71/562693571.db2.gz CKSCNJHXOYHRFM-UHFFFAOYSA-N 0 3 555.126 6.153 1 0 KKAFHN CCN1CCN(Cc2ccc3nc(-c4cc(C)n(Cc5cc(Cl)ccc5OCc5ccccc5)n4)[nH]c3c2)CC1 ZINC000049917567 562693572 /nfs/dbraw/zinc/69/35/72/562693572.db2.gz CKSCNJHXOYHRFM-UHFFFAOYSA-N 0 3 555.126 6.153 1 0 KKAFHN COc1ccc2c(c1)C[C@@H]1CN(CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CCN1C2 ZINC000049917674 562693735 /nfs/dbraw/zinc/69/37/35/562693735.db2.gz HMNBYPOENJHEBF-MUUNZHRXSA-N 0 3 581.544 5.507 1 0 KKAFHN O=C(C=Cc1cccs1)NC[C@@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049917730 562693787 /nfs/dbraw/zinc/69/37/87/562693787.db2.gz GWIJKTFOQUSAQV-HCXLOTKHSA-N 0 3 630.406 6.077 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C=C/c4ccc(Cl)c(C(F)(F)F)c4)CC3)c2c1 ZINC000049917739 562693848 /nfs/dbraw/zinc/69/38/48/562693848.db2.gz AKYKHLKBDYLYDZ-UDFXQGOISA-N 0 3 533.978 5.243 1 0 KKAFHN CC[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CCCC2)cc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000049917993 562694292 /nfs/dbraw/zinc/69/42/92/562694292.db2.gz VMKDPVRWRVFXTR-XKKJXBDVSA-N 0 3 588.192 6.567 1 0 KKAFHN O=C(Nc1ccccc1)N[C@H]1CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000049918035 562694326 /nfs/dbraw/zinc/69/43/26/562694326.db2.gz MENBXQWQAZNXTG-QCDSWUKFSA-N 0 3 567.517 5.647 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccc3)c2)CC1 ZINC000049918246 562694677 /nfs/dbraw/zinc/69/46/77/562694677.db2.gz VTXVBCLFHOUOJX-UHFFFAOYSA-N 0 3 652.659 5.602 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049938211 562695146 /nfs/dbraw/zinc/69/51/46/562695146.db2.gz WZCRTOKSBDFVAS-BHBYDHKZSA-N 0 3 675.072 7.905 1 0 KKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)ccc2c1 ZINC000049942274 562695419 /nfs/dbraw/zinc/69/54/19/562695419.db2.gz GLHXGJYSHGLSID-UHFFFAOYSA-N 0 3 631.123 8.714 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260426 562696960 /nfs/dbraw/zinc/69/69/60/562696960.db2.gz SFNJKKWRQWUNJB-AWJLRTIGSA-N 0 3 560.676 6.908 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260426 562696961 /nfs/dbraw/zinc/69/69/61/562696961.db2.gz SFNJKKWRQWUNJB-AWJLRTIGSA-N 0 3 560.676 6.908 1 0 KKAFHN CC(=O)N(c1ccc(N2CCN(CC[C@H](NC(=O)C3CCCCC3)c3ccc(C(F)(F)F)cc3)CC2)cc1)C(C)C ZINC000053294225 562697252 /nfs/dbraw/zinc/69/72/52/562697252.db2.gz NBGUQDBBLYVDDA-PMERELPUSA-N 0 3 572.716 6.417 1 0 KKAFHN CC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053298119 562697466 /nfs/dbraw/zinc/69/74/66/562697466.db2.gz CKJLVGRMTIJCAD-MHZLTWQESA-N 0 3 562.557 6.474 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000055753309 562697756 /nfs/dbraw/zinc/69/77/56/562697756.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 0 3 638.761 6.868 1 0 KKAFHN CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000058532952 562698621 /nfs/dbraw/zinc/69/86/21/562698621.db2.gz MOSIRVPMEDLWCZ-BALBDZJMSA-N 0 3 583.729 5.021 1 0 KKAFHN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc6[nH]ccc6c5)nc(-c5cccc(C(F)(F)F)c5)c4)CC3)CC2)CC1 ZINC000058547617 562699096 /nfs/dbraw/zinc/69/90/96/562699096.db2.gz IJQNYPLLLIQVTL-UHFFFAOYSA-N 0 3 686.779 5.923 1 0 KKAFHN FC(F)(F)Oc1cccc(C2CCN(CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058581882 562699884 /nfs/dbraw/zinc/69/98/84/562699884.db2.gz UVTTXKXCSIOWAF-UHFFFAOYSA-N 0 3 529.006 7.259 1 0 KKAFHN O=C(OC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000059031356 562701618 /nfs/dbraw/zinc/70/16/18/562701618.db2.gz LORYZGWEMSWZDE-YTTGMZPUSA-N 0 3 574.725 6.417 1 0 KKAFHN CC(C)Cc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCC(C)(C)O)cc1 ZINC000059033307 562701633 /nfs/dbraw/zinc/70/16/33/562701633.db2.gz LOZFCOFLGALJOJ-DEOSSOPVSA-N 0 3 579.782 6.243 1 0 KKAFHN CC(C)Cc1ccc(CN(C(=Nc2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCC(C)(C)O)cc1 ZINC000059033307 562701634 /nfs/dbraw/zinc/70/16/34/562701634.db2.gz LOZFCOFLGALJOJ-DEOSSOPVSA-N 0 3 579.782 6.243 1 0 KKAFHN CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687920 562702125 /nfs/dbraw/zinc/70/21/25/562702125.db2.gz AXZSTWFPHUHVFF-ZEQRLZLVSA-N 0 3 506.731 7.868 1 0 KKAFHN Cn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 ZINC000059767145 562702200 /nfs/dbraw/zinc/70/22/00/562702200.db2.gz DVJYMPYLFMEZMR-UHFFFAOYSA-N 0 3 518.421 6.932 1 0 KKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061903999 562702995 /nfs/dbraw/zinc/70/29/95/562702995.db2.gz QOJZVIWTELKIOI-PMERELPUSA-N 0 3 513.613 5.379 3 0 KKAFHN Cn1cc(CN2CCC(C(=O)N[C@@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)c2ccccc21 ZINC000061907288 562703077 /nfs/dbraw/zinc/70/30/77/562703077.db2.gz OGGRXZHPJZOSGR-YTTGMZPUSA-N 0 3 515.661 5.753 3 0 KKAFHN O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000061926354 562703612 /nfs/dbraw/zinc/70/36/12/562703612.db2.gz UPQOUOPNAPNOAC-HKBQPEDESA-N 0 3 504.609 6.040 3 0 KKAFHN CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(CN(CC)C/C3=C\c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)N12 ZINC000064448750 562705544 /nfs/dbraw/zinc/70/55/44/562705544.db2.gz CLKHEKQGFSCBKT-VKHARKSUSA-N 0 3 559.714 6.395 1 0 KKAFHN CC(C)N1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448835 562705551 /nfs/dbraw/zinc/70/55/51/562705551.db2.gz CCHFOHLBWJLTBI-VXKWHMMOSA-N 0 3 562.628 5.951 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073944 562709622 /nfs/dbraw/zinc/70/96/22/562709622.db2.gz HGSQOYNWHXVVJS-YTTGMZPUSA-N 0 3 592.788 5.610 1 0 KKAFHN COc1cc2ccccc2cc1C(=O)NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1 ZINC000066100652 562711264 /nfs/dbraw/zinc/71/12/64/562711264.db2.gz MOPFRPUDCVVVPA-UUWRZZSWSA-N 0 3 640.869 5.443 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C4CC4)cc3)cc2)cc1 ZINC000066101598 562711400 /nfs/dbraw/zinc/71/14/00/562711400.db2.gz XWIGQKXPVMJLRO-RITIEAMOSA-N 0 3 613.806 7.220 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066129122 562712872 /nfs/dbraw/zinc/71/28/72/562712872.db2.gz GHLGUBAWDNIZDR-DDFCPOBKSA-N 0 3 557.691 5.180 3 0 KKAFHN COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157535 562713957 /nfs/dbraw/zinc/71/39/57/562713957.db2.gz FKRJWSOOMWTJEG-MOMDTQCHSA-N 0 3 629.806 5.002 1 0 KKAFHN CN1CCCC[C@@H]1CNc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066251143 562714450 /nfs/dbraw/zinc/71/44/50/562714450.db2.gz JZNBBUHXLHNYJX-HXUWFJFHSA-N 0 3 579.593 6.154 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000068087594 562715765 /nfs/dbraw/zinc/71/57/65/562715765.db2.gz ZYLYHIRSGOICHC-WCABBKOESA-N 0 3 688.096 6.185 1 0 KKAFHN O=C(OCc1ccccc1)OC[C@@H](CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071330313 562719125 /nfs/dbraw/zinc/71/91/25/562719125.db2.gz YQRXKYVYZVIRDI-LJAQVGFWSA-N 0 3 589.692 5.478 1 0 KKAFHN O=C(OCc1ccccc1)OC[C@H](CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071330317 562719136 /nfs/dbraw/zinc/71/91/36/562719136.db2.gz YQRXKYVYZVIRDI-GDLZYMKVSA-N 0 3 589.692 5.478 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072104313 562720439 /nfs/dbraw/zinc/72/04/39/562720439.db2.gz OHKIQZQGBKFRKA-KWRMZWAXSA-N 0 3 662.026 6.467 3 0 KKAFHN C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111180 562721915 /nfs/dbraw/zinc/72/19/15/562721915.db2.gz XJZSAPSRQHWIRO-YQLOHFSOSA-N 0 3 588.755 6.583 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6cccc(C(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112034 562722019 /nfs/dbraw/zinc/72/20/19/562722019.db2.gz BFWNNQBQYJZWBV-CSORWWAUSA-N 0 3 546.718 6.166 1 0 KKAFHN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)OCCN(C)C)c(OC(C)C)c1 ZINC000072114294 562722672 /nfs/dbraw/zinc/72/26/72/562722672.db2.gz UNDGFWXBHFJPGJ-VSGBNLITSA-N 0 3 570.517 7.032 1 0 KKAFHN COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)NCCN2CCCCC2)cc1 ZINC000072119684 562723819 /nfs/dbraw/zinc/72/38/19/562723819.db2.gz IQODIBKUVNSSRJ-ZWVRTZEQSA-N 0 3 624.609 6.143 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072120147 562723950 /nfs/dbraw/zinc/72/39/50/562723950.db2.gz AZWDZDHCJRDAAZ-KWRMZWAXSA-N 0 3 686.004 5.835 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000072122012 562724329 /nfs/dbraw/zinc/72/43/29/562724329.db2.gz KTOLAWMRFLMANX-PQKZQXQFSA-N 0 3 683.812 6.814 3 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1 ZINC000072123720 562724871 /nfs/dbraw/zinc/72/48/71/562724871.db2.gz MEAVCUVGGFTUOL-FSGZAOGXSA-N 0 3 659.728 7.501 1 0 KKAFHN COc1cc(/C=C/CN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)ccc1OC(C)=O ZINC000072127859 562725936 /nfs/dbraw/zinc/72/59/36/562725936.db2.gz UOLSADPZLIMASE-MJNGIACSSA-N 0 3 567.661 5.939 3 0 KKAFHN CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)Cc6ccccc6C(F)(F)F)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129871 562726538 /nfs/dbraw/zinc/72/65/38/562726538.db2.gz YTWWSBXEMIYTEK-NGZBDLKASA-N 0 3 644.888 8.265 1 0 KKAFHN O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)N[C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000072134242 562727286 /nfs/dbraw/zinc/72/72/86/562727286.db2.gz OSVALWLNHLDLEM-VIDGLSEISA-N 0 3 615.574 5.731 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072135900 562727671 /nfs/dbraw/zinc/72/76/71/562727671.db2.gz PBMKPKLGLMSGEU-FYQCMVGJSA-N 0 3 589.552 5.142 3 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000072136523 562728006 /nfs/dbraw/zinc/72/80/06/562728006.db2.gz DICSNASCOVLQDJ-NUNJUMJCSA-N 0 3 664.819 6.406 3 0 KKAFHN CN1CCN(CCCNc2nc3cc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)ccc3[nH]2)CC1 ZINC000072136973 562728237 /nfs/dbraw/zinc/72/82/37/562728237.db2.gz FJXOXTNXKDDKBD-UHFFFAOYSA-N 0 3 585.606 6.207 1 0 KKAFHN CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCCC1 ZINC000072136967 562728265 /nfs/dbraw/zinc/72/82/65/562728265.db2.gz JYTODPBMQZNZIN-WISKXVKBSA-N 0 3 676.053 6.857 3 0 KKAFHN O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072137745 562728402 /nfs/dbraw/zinc/72/84/02/562728402.db2.gz INJVJPYETILOTK-DHUJRADRSA-N 0 3 554.694 7.054 3 0 KKAFHN COc1cc(OC)nc([C@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccc(F)cc2)n1 ZINC000072137838 562728440 /nfs/dbraw/zinc/72/84/40/562728440.db2.gz YSZYSSFEWCOCJD-SSEXGKCCSA-N 0 3 556.638 5.543 3 0 KKAFHN COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144112 562729690 /nfs/dbraw/zinc/72/96/90/562729690.db2.gz KYSNZZSMILMJBY-ACHIHNKUSA-N 0 3 695.857 6.581 3 0 KKAFHN COc1cc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144110 562729693 /nfs/dbraw/zinc/72/96/93/562729693.db2.gz KYSNZZSMILMJBY-AJQTZOPKSA-N 0 3 695.857 6.581 3 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172040 562730615 /nfs/dbraw/zinc/73/06/15/562730615.db2.gz NFNRBWZDIGKKNZ-XMMPIXPASA-N 0 3 558.631 5.520 1 0 KKAFHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@H]4CN4CCCC4)cc3OC(F)(F)F)nc1-2 ZINC000072176394 562731609 /nfs/dbraw/zinc/73/16/09/562731609.db2.gz WZZWJWWPQJVGAJ-MHZLTWQESA-N 0 3 716.809 6.695 1 0 KKAFHN O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1 ZINC000072180032 562732473 /nfs/dbraw/zinc/73/24/73/562732473.db2.gz YWOPAHYTILKORW-MUUNZHRXSA-N 0 3 572.458 7.944 1 0 KKAFHN Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000072181231 562732633 /nfs/dbraw/zinc/73/26/33/562732633.db2.gz LEOYSIFOGSUSDO-KLNWSHEISA-N 0 3 641.621 5.754 1 0 KKAFHN Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000072181234 562732668 /nfs/dbraw/zinc/73/26/68/562732668.db2.gz LEOYSIFOGSUSDO-VSVFEKSVSA-N 0 3 641.621 5.754 1 0 KKAFHN CN(C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O ZINC000072318122 562733226 /nfs/dbraw/zinc/73/32/26/562733226.db2.gz SIUIQMQVKUUQQF-UHFFFAOYSA-N 0 3 554.544 5.233 1 0 in-vitro KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073159904 562733989 /nfs/dbraw/zinc/73/39/89/562733989.db2.gz IIYULCFWAWIAEA-UHFFFAOYSA-N 0 3 631.202 6.827 1 0 KKAFHN C[C@H](Nc1cc(N2CCC[C@@H](N3CCc4c(cccc4-c4cccnc4)C3)C2)ncn1)c1ccc(Cl)cc1 ZINC000073198248 562735609 /nfs/dbraw/zinc/73/56/09/562735609.db2.gz FJAVFDVEPOTXLF-WXVAWEFUSA-N 0 3 525.100 6.392 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4c(c3=O)CCCC4)CC2)c1 ZINC000073218943 562736154 /nfs/dbraw/zinc/73/61/54/562736154.db2.gz IYYLTRDURGLWFR-UHFFFAOYSA-N 0 3 519.089 5.671 1 0 KKAFHN CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1I)c1ccccc1 ZINC000073221289 562736284 /nfs/dbraw/zinc/73/62/84/562736284.db2.gz NVMKECIXYGQWGJ-HKUYNNGSSA-N 0 3 502.318 5.265 1 0 KKAFHN O=C([C@H]1CC[C@@H](NC2(c3ccccc3Br)CCC2)C[C@@H]1c1ccsc1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000073224646 562736739 /nfs/dbraw/zinc/73/67/39/562736739.db2.gz PVLWNYFCJZEJFC-DSNGMDLFSA-N 0 3 614.053 6.829 1 0 KKAFHN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1 ZINC000073280283 562737472 /nfs/dbraw/zinc/73/74/72/562737472.db2.gz XXWFSNOROXVFAO-UMSFTDKQSA-N 0 3 620.835 5.038 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ccccc23)cc1 ZINC000073292523 562737520 /nfs/dbraw/zinc/73/75/20/562737520.db2.gz YNPVBCBDMGLBTR-DEOSSOPVSA-N 0 3 508.367 7.503 1 0 KKAFHN Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@H](N5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150341 562739826 /nfs/dbraw/zinc/73/98/26/562739826.db2.gz YBSRGQCJZVKVHS-DLLPINGYSA-N 0 3 625.608 7.090 1 0 KKAFHN COc1cccc2c1CCN(CCN1CCC(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)cc3)CC1)C2 ZINC000084382963 562742909 /nfs/dbraw/zinc/74/29/09/562742909.db2.gz PKZYJGNKGPOSAE-UHFFFAOYSA-N 0 3 538.519 5.922 1 0 KKAFHN O=C1c2cc(Cl)nnc2Oc2cc(C(F)(F)F)ccc2N1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000084403311 562742975 /nfs/dbraw/zinc/74/29/75/562742975.db2.gz UMBLPNXEWGBWHW-UHFFFAOYSA-N 0 3 608.064 6.699 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)N(C)CC3 ZINC000084403323 562743011 /nfs/dbraw/zinc/74/30/11/562743011.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 0 3 729.712 8.273 1 0 KKAFHN COc1cc(NCCCCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2nccc(C)c2c1 ZINC000084462543 562743204 /nfs/dbraw/zinc/74/32/04/562743204.db2.gz KPMSPSJBBJXIQQ-UHFFFAOYSA-N 0 3 501.502 6.653 1 0 KKAFHN CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1)c1ccccc1 ZINC000084567239 562743387 /nfs/dbraw/zinc/74/33/87/562743387.db2.gz SNTMWNQBAMYSJI-BKZBWYIUSA-N 0 3 734.938 5.567 1 0 KKAFHN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NCCNC(=O)CN)CC[C@]23C)C1(C)C ZINC000084617100 562744739 /nfs/dbraw/zinc/74/47/39/562744739.db2.gz OKZQOUFSPFMLSQ-ZDIFQBRASA-N 0 3 597.885 5.767 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1CCCF)c1ccc(OCCN2CCCCC2)cc1 ZINC000084619390 562745246 /nfs/dbraw/zinc/74/52/46/562745246.db2.gz IVMLOYVNMOLMQQ-UHFFFAOYSA-N 0 3 533.665 6.977 1 0 KKAFHN COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)cc(=O)c2c1 ZINC000084619770 562745320 /nfs/dbraw/zinc/74/53/20/562745320.db2.gz SXRQIJKFEIRDFT-UHFFFAOYSA-N 0 3 590.164 7.845 1 0 KKAFHN Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCCNC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc21 ZINC000084619874 562745347 /nfs/dbraw/zinc/74/53/47/562745347.db2.gz FMIJNFTZRSVGEY-UHFFFAOYSA-N 0 3 678.926 5.404 1 0 KKAFHN Cc1cc(CN(C)C)sc1-c1cnc(N)c(-c2ccc(C(N)=O)c(O[C@@H](C)c3ccccc3C(F)(F)F)c2)c1 ZINC000084654427 562747246 /nfs/dbraw/zinc/74/72/46/562747246.db2.gz OQOJDWGAZXHBJD-KRWDZBQOSA-N 0 3 554.638 6.687 1 0 KKAFHN O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084671342 562748518 /nfs/dbraw/zinc/74/85/18/562748518.db2.gz PGPJDRQJYRXXAU-DMDYGQEQSA-N 0 3 506.653 6.689 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084706738 562750022 /nfs/dbraw/zinc/75/00/22/562750022.db2.gz FHQLDERKOWHENA-CBZWUMFZSA-N 0 3 616.803 6.258 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4cccc(-c5cncnc5)c4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084709046 562750250 /nfs/dbraw/zinc/75/02/50/562750250.db2.gz OLNMTGSIKLTZCY-JGCGQSQUSA-N 0 3 563.061 6.364 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccc(-c5ncccn5)cc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710705 562750585 /nfs/dbraw/zinc/75/05/85/562750585.db2.gz VMBVYIUKVXLQTB-YTTGMZPUSA-N 0 3 563.061 6.364 1 0 KKAFHN CN(C(=O)OC[C@@H]([C@H]1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000084711087 562750598 /nfs/dbraw/zinc/75/05/98/562750598.db2.gz HHTALOQRPXAMIG-IDISGSTGSA-N 0 3 506.647 5.437 1 0 KKAFHN CN(C(=O)OC[C@@H]([C@@H]1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000084711083 562750616 /nfs/dbraw/zinc/75/06/16/562750616.db2.gz HHTALOQRPXAMIG-ZBLYBZFDSA-N 0 3 506.647 5.437 1 0 KKAFHN Cc1nc(CCN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084712449 562750805 /nfs/dbraw/zinc/75/08/05/562750805.db2.gz RBBHEFMAJYTTHI-UMSFTDKQSA-N 0 3 613.872 8.139 1 0 KKAFHN CCN(C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc43)c(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000084756782 562752291 /nfs/dbraw/zinc/75/22/91/562752291.db2.gz FWXODUHNWANOFN-UHFFFAOYSA-N 0 3 555.610 5.368 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)NCC3 ZINC000085977034 562753444 /nfs/dbraw/zinc/75/34/44/562753444.db2.gz MSEKZZNGEVAPPO-NSOVKSMOSA-N 0 3 624.734 6.526 1 0 KKAFHN CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccc(N3CCN(C4CCN(C)CC4)CC3)nc21 ZINC000095536928 562754282 /nfs/dbraw/zinc/75/42/82/562754282.db2.gz PYWQGBFKHNQBOD-UHFFFAOYSA-N 0 3 773.851 6.416 1 0 KKAFHN O=C(NN1C(=O)[C@H](CN2CCCCC2)S[C@@H]1c1ccccc1)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000095540204 562755552 /nfs/dbraw/zinc/75/55/52/562755552.db2.gz PFDHZULVPSJTNO-RYWJPUDZSA-N 0 3 773.551 7.351 1 0 KKAFHN CCN(CC)C[C@H]1S[C@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540207 562755583 /nfs/dbraw/zinc/75/55/83/562755583.db2.gz KVUNLHHSMXAIAJ-BVGRYSDNSA-N 0 3 761.540 7.207 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4CCN4CCOCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545732 562758208 /nfs/dbraw/zinc/75/82/08/562758208.db2.gz ORBDOXUKPRMJQT-RWYGWLOXSA-N 0 3 778.778 6.470 1 0 KKAFHN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(SC)cc1)Oc1ccc(SC)cc1)C(C)C ZINC000095547819 562758886 /nfs/dbraw/zinc/75/88/86/562758886.db2.gz ZDSJPQUDHIATBN-HSRBSRBISA-N 0 3 762.953 8.496 1 0 KKAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1F)CC1(CCC1)O2 ZINC000095555964 562761659 /nfs/dbraw/zinc/76/16/59/562761659.db2.gz BYTJKUAXMDZACZ-GMQQYTKMSA-N 0 3 564.677 5.082 1 0 KKAFHN CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)nc(NCC(C)C)n2)cc1 ZINC000095556373 562761747 /nfs/dbraw/zinc/76/17/47/562761747.db2.gz IVGBIFJBPJZBSB-AREMUKBSSA-N 0 3 620.849 5.575 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccnc2)CC1 ZINC000095556452 562761778 /nfs/dbraw/zinc/76/17/78/562761778.db2.gz BNNGWNXPMYMWRI-HXUWFJFHSA-N 0 3 555.148 5.515 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566567 562765059 /nfs/dbraw/zinc/76/50/59/562765059.db2.gz MXAUBRBUARVCOA-QLVXXPONSA-N 0 3 598.666 5.630 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095567636 562765965 /nfs/dbraw/zinc/76/59/65/562765965.db2.gz LMVYLEREBXGKHC-XUJRGEPCSA-N 0 3 652.792 6.413 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095567701 562766050 /nfs/dbraw/zinc/76/60/50/562766050.db2.gz XOJDVVMUWTXSDO-DGHZZKTQSA-N 0 3 670.855 5.256 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095567790 562766078 /nfs/dbraw/zinc/76/60/78/562766078.db2.gz UZEHIQNFVBKJCC-RYOMNGFGSA-N 0 3 676.839 7.207 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567976 562766241 /nfs/dbraw/zinc/76/62/41/562766241.db2.gz AXAKNSSSVDKLRR-GJCZEXATSA-N 0 3 599.772 6.350 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095568156 562766388 /nfs/dbraw/zinc/76/63/88/562766388.db2.gz GHLGUBAWDNIZDR-ZTNZZFSWSA-N 0 3 557.691 5.180 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095568184 562766399 /nfs/dbraw/zinc/76/63/99/562766399.db2.gz GFVNWDBMZVYSCS-BBUMLKAKSA-N 0 3 694.833 5.455 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568287 562766428 /nfs/dbraw/zinc/76/64/28/562766428.db2.gz JQXCVRFSCSGTFT-NPKFRGRUSA-N 0 3 634.626 5.384 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568341 562766524 /nfs/dbraw/zinc/76/65/24/562766524.db2.gz CZGXFYZCYNDJOB-WGKZYHDKSA-N 0 3 752.797 8.296 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568288 562766533 /nfs/dbraw/zinc/76/65/33/562766533.db2.gz IGUFQSLVAOYZBL-PYAKLNENSA-N 0 3 650.742 5.659 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568548 562766720 /nfs/dbraw/zinc/76/67/20/562766720.db2.gz UBMFRUBMXOVEAJ-IKXMMLORSA-N 0 3 605.779 5.816 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095568811 562766959 /nfs/dbraw/zinc/76/69/59/562766959.db2.gz BCUCLIMAYGDMQB-ZENPUIFLSA-N 0 3 682.797 5.585 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568897 562766986 /nfs/dbraw/zinc/76/69/86/562766986.db2.gz MGXDQALVEHELJP-WURXVLGASA-N 0 3 620.599 5.455 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568988 562767088 /nfs/dbraw/zinc/76/70/88/562767088.db2.gz OFYJPRSBIVOGOZ-FONBTEPMSA-N 0 3 666.663 6.649 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569658 562767612 /nfs/dbraw/zinc/76/76/12/562767612.db2.gz MXAUBRBUARVCOA-SYZUXVNWSA-N 0 3 598.666 5.630 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095570037 562767864 /nfs/dbraw/zinc/76/78/64/562767864.db2.gz UBMFRUBMXOVEAJ-UGIZIUIESA-N 0 3 605.779 5.816 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095570418 562768163 /nfs/dbraw/zinc/76/81/63/562768163.db2.gz WPPOVSPAEBFYOJ-SGQICDRISA-N 0 3 652.748 6.204 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570995 562768674 /nfs/dbraw/zinc/76/86/74/562768674.db2.gz RBOAJFBNHJWMOW-GLBCCIBASA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571245 562768917 /nfs/dbraw/zinc/76/89/17/562768917.db2.gz PWTWTDDNXRGKGX-RNDKRWLGSA-N 0 3 676.736 7.494 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095571264 562768937 /nfs/dbraw/zinc/76/89/37/562768937.db2.gz UUCMFHNJLLHFQV-REYAJUCUSA-N 0 3 598.788 6.160 1 0 KKAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc3c(c1)OCO3)NC(=O)c1ccccc1F)CC1(CCC1)O2 ZINC000095573895 562769792 /nfs/dbraw/zinc/76/97/92/562769792.db2.gz NAPFTANQOOCSJB-HZFUHODCSA-N 0 3 589.708 5.276 1 0 KKAFHN O=S1(=O)CCN(c2ccc3c(ccnc3Nc3ccc(Cl)c(-c4nc(-c5ccccc5)c[nH]4)c3)c2)CC1 ZINC000095575579 562770381 /nfs/dbraw/zinc/77/03/81/562770381.db2.gz UOIMGERGVYFCHZ-UHFFFAOYSA-N 0 3 530.053 5.924 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4c([C@@H](O)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588340 562774575 /nfs/dbraw/zinc/77/45/75/562774575.db2.gz NARRGMMZZFHNIL-AREMUKBSSA-N 0 3 538.595 6.557 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@@H](O)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588340 562774574 /nfs/dbraw/zinc/77/45/74/562774574.db2.gz NARRGMMZZFHNIL-AREMUKBSSA-N 0 3 538.595 6.557 1 0 KKAFHN CCC[S@](=O)c1csc2cc(-c3[nH]c(-c4ccc(OCCN(C)C)cc4)nc3-c3ccncc3)ccc21 ZINC000095588280 562774609 /nfs/dbraw/zinc/77/46/09/562774609.db2.gz WKLVMJVNYVQWTB-DIPNUNPCSA-N 0 3 530.719 6.478 1 0 KKAFHN CCC[S@](=O)c1csc2cc(-c3nc(-c4ccc(OCCN(C)C)cc4)[nH]c3-c3ccncc3)ccc21 ZINC000095588280 562774610 /nfs/dbraw/zinc/77/46/10/562774610.db2.gz WKLVMJVNYVQWTB-DIPNUNPCSA-N 0 3 530.719 6.478 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)scc4[S@@](C)=O)[nH]2)cc1 ZINC000095589130 562774853 /nfs/dbraw/zinc/77/48/53/562774853.db2.gz RENJVVIMBVMZFF-DHUJRADRSA-N 0 3 502.665 5.698 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)scc4[S@@](C)=O)c(-c3ccncc3)[nH]2)cc1 ZINC000095589130 562774854 /nfs/dbraw/zinc/77/48/54/562774854.db2.gz RENJVVIMBVMZFF-DHUJRADRSA-N 0 3 502.665 5.698 1 0 KKAFHN CCC[NH+](CCC)CCCOc1ccc2cc(NC(=O)c3ccc([O-])c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095598286 562777385 /nfs/dbraw/zinc/77/73/85/562777385.db2.gz BDAUVASERLGVBU-UHFFFAOYSA-N 0 3 520.670 6.459 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095598834 562777576 /nfs/dbraw/zinc/77/75/76/562777576.db2.gz KTOLAWMRFLMANX-GTZOPPDQSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095599296 562777954 /nfs/dbraw/zinc/77/79/54/562777954.db2.gz XOJDVVMUWTXSDO-XUKQSAIQSA-N 0 3 670.855 5.256 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095599794 562778309 /nfs/dbraw/zinc/77/83/09/562778309.db2.gz QKQHOPFIEPLIHC-QAAVFVPKSA-N 0 3 689.738 6.914 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599951 562778507 /nfs/dbraw/zinc/77/85/07/562778507.db2.gz RBOAJFBNHJWMOW-ZIZQKJAQSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095600443 562778905 /nfs/dbraw/zinc/77/89/05/562778905.db2.gz DETSJJCDIRAXSN-RYOMNGFGSA-N 0 3 622.766 6.404 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600589 562779055 /nfs/dbraw/zinc/77/90/55/562779055.db2.gz SIHGKWCNYKQFFR-OYJDADHOSA-N 0 3 652.748 6.204 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600686 562779150 /nfs/dbraw/zinc/77/91/50/562779150.db2.gz MKMSHMRQNRVEBK-GNMOFYLKSA-N 0 3 584.639 5.702 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095600708 562779159 /nfs/dbraw/zinc/77/91/59/562779159.db2.gz PIPSXTOHKBCCEO-CZWSTMTISA-N 0 3 702.790 7.416 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601246 562779472 /nfs/dbraw/zinc/77/94/72/562779472.db2.gz QMCFBRPLMVFDBX-FXKJGQKXSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601246 562779473 /nfs/dbraw/zinc/77/94/73/562779473.db2.gz QMCFBRPLMVFDBX-FXKJGQKXSA-N 0 3 740.285 7.087 1 0 KKAFHN COC(=O)c1cccc(NC(=O)N(CCCN2CCN(C)CC2)CCC(c2ccccc2)c2ccccc2)c1 ZINC000095601800 562779804 /nfs/dbraw/zinc/77/98/04/562779804.db2.gz RSTABTCGQHAJLQ-UHFFFAOYSA-N 0 3 528.697 5.167 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095602696 562780174 /nfs/dbraw/zinc/78/01/74/562780174.db2.gz RBOAJFBNHJWMOW-WYOWBBOASA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095605177 562781435 /nfs/dbraw/zinc/78/14/35/562781435.db2.gz CMTIPOGQFXEGCZ-AWYDNWMNSA-N 0 3 655.840 5.321 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 562782777 /nfs/dbraw/zinc/78/27/77/562782777.db2.gz IBDZCUWDCUNLFP-ILJQZKEFSA-N 0 3 526.725 5.539 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 562782778 /nfs/dbraw/zinc/78/27/78/562782778.db2.gz IBDZCUWDCUNLFP-ILJQZKEFSA-N 0 3 526.725 5.539 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000095608707 562783663 /nfs/dbraw/zinc/78/36/63/562783663.db2.gz OSTNHMODDQIWKV-HUESYALOSA-N 0 3 757.936 5.794 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000095608706 562783678 /nfs/dbraw/zinc/78/36/78/562783678.db2.gz NUKQDDDIEUKMIF-WBCKFURZSA-N 0 3 757.936 5.658 1 0 KKAFHN CCc1sc(CN(CCCNc2cc(=O)c3ccccc3[nH]2)Cc2sc(CC)c(Br)c2-c2ccsc2)c(-c2ccsc2)c1Br ZINC000095616668 562787858 /nfs/dbraw/zinc/78/78/58/562787858.db2.gz DKOJABJBDZJEOA-UHFFFAOYSA-N 0 3 787.734 11.262 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000095670066 562788271 /nfs/dbraw/zinc/78/82/71/562788271.db2.gz UZVLCYSJIDJZJW-WNJJXGMVSA-N 0 3 509.568 6.741 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095822859 562789281 /nfs/dbraw/zinc/78/92/81/562789281.db2.gz JQXCVRFSCSGTFT-VDZJOXJSSA-N 0 3 634.626 5.384 1 0 KKAFHN COc1cccc(C(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174150 562791772 /nfs/dbraw/zinc/79/17/72/562791772.db2.gz OATAUDKPSYOYAH-UHFFFAOYSA-N 0 3 557.658 5.456 1 0 KKAFHN COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174201 562791791 /nfs/dbraw/zinc/79/17/91/562791791.db2.gz FSTCYTJKYVEAES-LDLOPFEMSA-N 0 3 668.802 5.552 1 0 KKAFHN C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269474 562792950 /nfs/dbraw/zinc/79/29/50/562792950.db2.gz VGCARQWJPMTGRS-LJAQVGFWSA-N 0 3 684.853 8.959 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269481 562792968 /nfs/dbraw/zinc/79/29/68/562792968.db2.gz HVGOKDSSQHDHOP-GDLZYMKVSA-N 0 3 684.853 8.959 1 0 KKAFHN C[C@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269470 562792970 /nfs/dbraw/zinc/79/29/70/562792970.db2.gz KZCQJHOZUQOHSD-VWLOTQADSA-N 0 3 628.745 7.399 1 0 KKAFHN C[C@@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269489 562792980 /nfs/dbraw/zinc/79/29/80/562792980.db2.gz LIUKBAIABYHLPL-XMMPIXPASA-N 0 3 523.696 7.812 1 0 KKAFHN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000096269950 562793113 /nfs/dbraw/zinc/79/31/13/562793113.db2.gz QOSLZXBFHVKKRI-UHFFFAOYSA-N 0 3 535.692 7.138 1 0 KKAFHN C[C@@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270069 562793146 /nfs/dbraw/zinc/79/31/46/562793146.db2.gz FBWXOUBMHZMKRS-RUZDIDTESA-N 0 3 628.745 7.399 1 0 KKAFHN C[C@@H](C(=O)NCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270059 562793173 /nfs/dbraw/zinc/79/31/73/562793173.db2.gz PDRXQFWLPWJYCL-HSZRJFAPSA-N 0 3 600.691 6.619 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271294 562793752 /nfs/dbraw/zinc/79/37/52/562793752.db2.gz KNXIYURWALEHNQ-UHFFFAOYSA-N 0 3 555.166 8.530 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271285 562793765 /nfs/dbraw/zinc/79/37/65/562793765.db2.gz PPNZONQLHPXNIG-UHFFFAOYSA-N 0 3 597.247 9.700 1 0 KKAFHN CN(C)CCOc1cccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)c1 ZINC000096272640 562794170 /nfs/dbraw/zinc/79/41/70/562794170.db2.gz VQLNOPOZCKAEHI-UHFFFAOYSA-N 0 3 536.636 6.129 1 0 KKAFHN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1 ZINC000096272778 562794190 /nfs/dbraw/zinc/79/41/90/562794190.db2.gz MFPZJISOIZABEX-UHFFFAOYSA-N 0 3 573.163 5.772 1 0 KKAFHN COCCN1CCC(c2cc(OC(C)C)c(Nc3ncc(C)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096272793 562794277 /nfs/dbraw/zinc/79/42/77/562794277.db2.gz UYBILPBKQDAXTL-UHFFFAOYSA-N 0 3 595.810 6.376 1 0 KKAFHN CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Cl)c2n1-c1ccc(F)cc1 ZINC000096282442 562794650 /nfs/dbraw/zinc/79/46/50/562794650.db2.gz NNTPSCNDUJZDFV-UHFFFAOYSA-N 0 3 524.876 6.995 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 ZINC000096285344 562795538 /nfs/dbraw/zinc/79/55/38/562795538.db2.gz BLLNKFHFWKLHQV-FIPFOOKPSA-N 0 3 575.157 5.399 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000096285345 562795552 /nfs/dbraw/zinc/79/55/52/562795552.db2.gz QQPGVUMKWQYOEK-GIGWZHCTSA-N 0 3 574.169 6.004 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285385 562795562 /nfs/dbraw/zinc/79/55/62/562795562.db2.gz RQYNLNIHIFFLTK-RLWLMLJZSA-N 0 3 572.219 6.198 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285387 562795579 /nfs/dbraw/zinc/79/55/79/562795579.db2.gz RQYNLNIHIFFLTK-QFQXNSOFSA-N 0 3 572.219 6.198 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 ZINC000096285374 562795581 /nfs/dbraw/zinc/79/55/81/562795581.db2.gz NKOHPZAPXOVEEK-FIPFOOKPSA-N 0 3 575.157 5.399 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000096285369 562795583 /nfs/dbraw/zinc/79/55/83/562795583.db2.gz VXUHJSADHJEBBJ-PIKZIKFNSA-N 0 3 567.178 5.531 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000096285415 562795635 /nfs/dbraw/zinc/79/56/35/562795635.db2.gz OBLSTCGAGZPSCE-LYZGTLIUSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1ccccc1[C@@H]1CN(C2CCCCC2)C(=O)N1C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285425 562795661 /nfs/dbraw/zinc/79/56/61/562795661.db2.gz MZSUZRLLPGOZDL-BTYSJIOQSA-N 0 3 546.760 5.186 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285403 562795671 /nfs/dbraw/zinc/79/56/71/562795671.db2.gz UPDSQDKCTCPMPO-FIPFOOKPSA-N 0 3 582.189 5.230 1 0 KKAFHN O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(CCNc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096285569 562795869 /nfs/dbraw/zinc/79/58/69/562795869.db2.gz PDCBHYYTMYMYBE-UHFFFAOYSA-N 0 3 588.752 6.386 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096887214 562796612 /nfs/dbraw/zinc/79/66/12/562796612.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 0 3 780.840 8.719 1 0 KKAFHN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(C1CCN(Cc2ccccc2)CC1)C3 ZINC000096907149 562799046 /nfs/dbraw/zinc/79/90/46/562799046.db2.gz XMGWHBFXOJMIJQ-XSTLDGTKSA-N 0 3 610.927 10.095 1 0 KKAFHN COc1cccc(CN2CCN(C[C@@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907752 562799223 /nfs/dbraw/zinc/79/92/23/562799223.db2.gz JIZBSLOZXTWCDC-JXEGDCPISA-N 0 3 838.891 8.357 1 0 KKAFHN COc1ccc(C[C@@H]2c3cc(OCCN4CCCCC4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913940 562800554 /nfs/dbraw/zinc/80/05/54/562800554.db2.gz MMCZBTWRJUEGHU-SSEXGKCCSA-N 0 3 587.761 5.035 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033934 562806223 /nfs/dbraw/zinc/80/62/23/562806223.db2.gz VTFJWOXHAJNSBJ-UFEOWHGLSA-N 0 3 533.713 6.421 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@H](CCCCC)C1C(=O)OCCc1ccc(N(C)C)cc1 ZINC000100033949 562806231 /nfs/dbraw/zinc/80/62/31/562806231.db2.gz JSKRAXYURWRRRD-LBCAVENHSA-N 0 3 561.767 6.878 1 0 KKAFHN [O-]c1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[N@@H+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)N8[C@H]46)C7)c-3nc21 ZINC000101279629 562810221 /nfs/dbraw/zinc/81/02/21/562810221.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 0 3 562.758 6.877 1 0 KKAFHN [O-]c1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[N@H+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)N8[C@H]46)C7)c-3nc21 ZINC000101279629 562810222 /nfs/dbraw/zinc/81/02/22/562810222.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 0 3 562.758 6.877 1 0 KKAFHN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CCN(C)CC3)[C@@H]12 ZINC000103224892 562817638 /nfs/dbraw/zinc/81/76/38/562817638.db2.gz UMSIRVRZLBFUBM-SNTUXTEOSA-N 0 3 527.753 6.397 1 0 KKAFHN COc1ccc(CNC(=O)C[C@@H]2c3ccccc3N=C(N3CCN(CCN(C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240435 562819470 /nfs/dbraw/zinc/81/94/70/562819470.db2.gz NVUOOHYUOQYRFG-PSXMRANNSA-N 0 3 616.810 5.797 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccccn3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240388 562819486 /nfs/dbraw/zinc/81/94/86/562819486.db2.gz FKWTWWTVDIYNOD-UMSFTDKQSA-N 0 3 587.772 5.183 1 0 KKAFHN CN(C)Cc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(N)=[NH2+])ccc4N3)c2)c(C(=O)[O-])c1 ZINC000103240991 562819568 /nfs/dbraw/zinc/81/95/68/562819568.db2.gz OEWWUNXHZFVOFC-BZKUTMRRSA-N 0 3 518.661 6.260 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)ccc1OC(C)=O ZINC000103242593 562819619 /nfs/dbraw/zinc/81/96/19/562819619.db2.gz ANJHFYACHFALLW-UHFFFAOYSA-N 0 3 512.650 6.513 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2(c3cnc(Cl)cc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103254002 562820634 /nfs/dbraw/zinc/82/06/34/562820634.db2.gz CGCOPBXAGSCZNX-FNQJWKMRSA-N 0 3 614.505 5.024 1 0 KKAFHN O=C(Nc1cnc2cccnn21)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103258668 562821071 /nfs/dbraw/zinc/82/10/71/562821071.db2.gz YKYQFSJFOAUBLA-UHFFFAOYSA-N 0 3 503.006 5.305 1 0 KKAFHN CN1CCN(CCn2c(-c3cc4ccc(Br)cc4[nH]3)cc3cc(Br)ccc32)CC1 ZINC000103259870 562821163 /nfs/dbraw/zinc/82/11/63/562821163.db2.gz IWQVTTUKONPQIB-UHFFFAOYSA-N 0 3 516.281 5.562 1 0 KKAFHN O=C(Nc1ccc(-n2cccn2)nc1)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263321 562821720 /nfs/dbraw/zinc/82/17/20/562821720.db2.gz YOZMCCHEMVOISV-UHFFFAOYSA-N 0 3 529.044 5.843 1 0 KKAFHN C(=C/c1ccccc1)\CO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC/C=C/c1ccccc1)OCO5 ZINC000103268959 562822735 /nfs/dbraw/zinc/82/27/35/562822735.db2.gz XSLZOZSGRGKSCS-VSONBLFFSA-N 0 3 519.641 6.224 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000103290499 562824080 /nfs/dbraw/zinc/82/40/80/562824080.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 0 3 624.734 6.565 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH2+]CC5)cn4)c3c2)cc(Cl)c1[O-] ZINC000114035699 562827052 /nfs/dbraw/zinc/82/70/52/562827052.db2.gz BXSZISRMJBDTIP-UHFFFAOYSA-N 0 3 530.028 5.410 1 0 KKAFHN COc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000114099621 562827657 /nfs/dbraw/zinc/82/76/57/562827657.db2.gz IETSSHMCIVYCEF-JOCHJYFZSA-N 0 3 517.066 5.025 1 0 KKAFHN O=S1(=O)NCc2ccccc2N1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000114817045 562828492 /nfs/dbraw/zinc/82/84/92/562828492.db2.gz HCTNFBFUQNHVMO-UHFFFAOYSA-N 0 3 511.638 5.196 1 0 KKAFHN O=C1CCN(CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885449 562831088 /nfs/dbraw/zinc/83/10/88/562831088.db2.gz IGFCCVGOXSJNQX-PSXMRANNSA-N 0 3 558.766 6.369 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888864 562831645 /nfs/dbraw/zinc/83/16/45/562831645.db2.gz IXCMBYPRCXSXPO-WADZXKEOSA-N 0 3 627.870 5.332 1 0 KKAFHN CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](NC(=O)c3cccc4[nH]cnc43)CC2)c1 ZINC000139543034 562832591 /nfs/dbraw/zinc/83/25/91/562832591.db2.gz SHSLIWBXBWXQAH-PLQXJYEYSA-N 0 3 622.701 5.795 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000140609968 562833226 /nfs/dbraw/zinc/83/32/26/562833226.db2.gz JSSODELTBWXHJL-UHFFFAOYSA-N 0 3 630.679 5.748 1 0 KKAFHN CCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141390130 562833620 /nfs/dbraw/zinc/83/36/20/562833620.db2.gz SUMWDCGPFDCEIK-HQDRYFOSSA-N 0 3 539.664 5.649 1 0 KKAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1 ZINC000141658508 562833653 /nfs/dbraw/zinc/83/36/53/562833653.db2.gz KVCYIWOEUBVMDH-XTEPFMGCSA-N 0 3 551.716 5.854 1 0 KKAFHN CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2ncc(Br)n21 ZINC000143020232 562834491 /nfs/dbraw/zinc/83/44/91/562834491.db2.gz OEULVKFFXFWPQV-UHFFFAOYSA-N 0 3 592.505 5.647 1 0 KKAFHN CCOc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143080638 562834541 /nfs/dbraw/zinc/83/45/41/562834541.db2.gz VLNICWLFZDRKPX-UHFFFAOYSA-N 0 3 563.706 5.142 1 0 KKAFHN COc1cc(N2CCN(C3CCN(C(C)=O)CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(Cl)c1)CC2 ZINC000143107096 562834614 /nfs/dbraw/zinc/83/46/14/562834614.db2.gz JBRCSLRQHLPZBV-UHFFFAOYSA-N 0 3 641.220 5.105 1 0 KKAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(Cl)c1)CC2 ZINC000143107555 562834634 /nfs/dbraw/zinc/83/46/34/562834634.db2.gz ZPBFFDZENYVNHX-UHFFFAOYSA-N 0 3 558.130 5.503 1 0 KKAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146077915 562838208 /nfs/dbraw/zinc/83/82/08/562838208.db2.gz BNSZJMNILCRKPZ-UHFFFAOYSA-N 0 3 556.589 5.156 1 0 KKAFHN CC(=O)Nc1cc(Oc2ccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCCN(C)C)cc2C)ccn1 ZINC000146165863 562838332 /nfs/dbraw/zinc/83/83/32/562838332.db2.gz MEZJAJUCIVBWKG-UHFFFAOYSA-N 0 3 526.037 5.365 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000146815906 562838842 /nfs/dbraw/zinc/83/88/42/562838842.db2.gz AMISYPQMTJLNGZ-MUUNZHRXSA-N 0 3 514.695 6.426 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148146104 562840329 /nfs/dbraw/zinc/84/03/29/562840329.db2.gz CFQSUCPXBREQIB-UHFFFAOYSA-N 0 3 625.725 5.294 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000148154823 562840349 /nfs/dbraw/zinc/84/03/49/562840349.db2.gz HXJRCAAOVRWVFS-UHFFFAOYSA-N 0 3 630.679 5.748 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148162914 562840430 /nfs/dbraw/zinc/84/04/30/562840430.db2.gz HGBAMBQUQCBTAG-LJQANCHMSA-N 0 3 610.641 5.132 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148168060 562840432 /nfs/dbraw/zinc/84/04/32/562840432.db2.gz MQAHZVKSBBDGDS-FQEVSTJZSA-N 0 3 623.684 5.189 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148200169 562840494 /nfs/dbraw/zinc/84/04/94/562840494.db2.gz PTOGDTYQTBVVES-UHFFFAOYSA-N 0 3 571.007 5.538 1 0 KKAFHN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCCN(C)CC4)nc32)c1 ZINC000148201160 562840527 /nfs/dbraw/zinc/84/05/27/562840527.db2.gz VHQWWJWIZHVKPG-UHFFFAOYSA-N 0 3 554.699 5.172 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CCN2CCCC2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148197654 562840540 /nfs/dbraw/zinc/84/05/40/562840540.db2.gz ZKUKDIUTJSYXGK-UHFFFAOYSA-N 0 3 619.774 5.434 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CCN2CCCC2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148220311 562840600 /nfs/dbraw/zinc/84/06/00/562840600.db2.gz CXJGNWFRIHJUQR-UHFFFAOYSA-N 0 3 605.747 5.044 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCN(C(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148307913 562840945 /nfs/dbraw/zinc/84/09/45/562840945.db2.gz RRMBEWIOOGITLV-UHFFFAOYSA-N 0 3 635.695 5.110 1 0 KKAFHN O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cc2N1 ZINC000148685463 562841622 /nfs/dbraw/zinc/84/16/22/562841622.db2.gz DKDBPNNUSSEBFR-UHFFFAOYSA-N 0 3 543.111 6.209 1 0 KKAFHN CC(C)Oc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148756790 562841802 /nfs/dbraw/zinc/84/18/02/562841802.db2.gz RPUSLEYUMRGACQ-UHFFFAOYSA-N 0 3 612.159 5.869 1 0 KKAFHN COc1ncccc1-c1c2nc(Nc3cc(F)c(C4CCN(C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000150302107 562843063 /nfs/dbraw/zinc/84/30/63/562843063.db2.gz JOSMUINAEBUKID-UHFFFAOYSA-N 0 3 550.660 5.340 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000150616941 562848815 /nfs/dbraw/zinc/84/88/15/562848815.db2.gz QWLVQDXAULJUAE-ISJPQVSQSA-N 0 3 708.003 5.437 1 0 KKAFHN CN(C)CCN(C)c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)nc1 ZINC000164292203 562849601 /nfs/dbraw/zinc/84/96/01/562849601.db2.gz HMSYIVTUBHNPQF-UHFFFAOYSA-N 0 3 644.817 5.209 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCN(C(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000165277017 562850049 /nfs/dbraw/zinc/85/00/49/562850049.db2.gz XAHDWKRJQIMXIT-QHCPKHFHSA-N 0 3 637.686 5.822 1 0 KKAFHN O=C(NC1CCC(O)CC1)[C@@H]1N[C@@H](c2ccccc2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000167778418 562851078 /nfs/dbraw/zinc/85/10/78/562851078.db2.gz WQZCMLRWVAQNJN-PUTKSNFBSA-N 0 3 568.476 5.239 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@@H]1CN1CC[C@@H](O)C1 ZINC000169293598 562852103 /nfs/dbraw/zinc/85/21/03/562852103.db2.gz HLMMHUFTDWSTBP-FGZHOGPDSA-N 0 3 504.631 5.159 1 0 KKAFHN CC(C)CCN1CCC[C@H](C)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169300829 562852833 /nfs/dbraw/zinc/85/28/33/562852833.db2.gz SIZIBPAHPIUMOL-MXSCXNJPSA-N 0 3 536.713 5.421 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000169317519 562855973 /nfs/dbraw/zinc/85/59/73/562855973.db2.gz UZVLCYSJIDJZJW-GGXMVOPNSA-N 0 3 509.568 6.741 1 0 KKAFHN CCNc1ccc(OC[C@@H](O)CN(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317819 562856026 /nfs/dbraw/zinc/85/60/26/562856026.db2.gz IWYTUWMBDRWLJL-RPLLCQBOSA-N 0 3 502.577 6.019 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321708 562856721 /nfs/dbraw/zinc/85/67/21/562856721.db2.gz AZQHNRSFBRWIBM-UHFFFAOYSA-N 0 3 524.640 6.197 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324438 562857341 /nfs/dbraw/zinc/85/73/41/562857341.db2.gz KIBXKBOGHTXWAP-UHFFFAOYSA-N 0 3 619.854 8.163 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324431 562857348 /nfs/dbraw/zinc/85/73/48/562857348.db2.gz GBZZPKKWNBBTAT-UHFFFAOYSA-N 0 3 633.881 8.553 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334290 562859453 /nfs/dbraw/zinc/85/94/53/562859453.db2.gz VCZAKRHTOVSWLS-XMMPIXPASA-N 0 3 507.889 7.362 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2Cl)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334288 562859463 /nfs/dbraw/zinc/85/94/63/562859463.db2.gz LRYGAOCWBWIYJE-QHCPKHFHSA-N 0 3 575.886 8.380 1 0 KKAFHN CC(C)(C)NC(=O)C1(N(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000169348495 562862290 /nfs/dbraw/zinc/86/22/90/562862290.db2.gz HOPZICPPZWKCBU-NDEPHWFRSA-N 0 3 576.782 5.063 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2C)cc1F ZINC000169350400 562862785 /nfs/dbraw/zinc/86/27/85/562862785.db2.gz XKTCLUMXLWSCMM-UHFFFAOYSA-N 0 3 652.727 5.298 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350402 562862821 /nfs/dbraw/zinc/86/28/21/562862821.db2.gz FSTYDHPHNAHVOZ-UHFFFAOYSA-N 0 3 720.724 6.317 1 0 KKAFHN CC[C@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702185 562868274 /nfs/dbraw/zinc/86/82/74/562868274.db2.gz QPQCFJGDSQXNPS-VWLOTQADSA-N 0 3 565.722 5.094 1 0 KKAFHN CCOc1cc(N2CCN(C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702492 562868447 /nfs/dbraw/zinc/86/84/47/562868447.db2.gz ZINYSRBTWGWWCC-UHFFFAOYSA-N 0 3 579.749 5.010 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN([C@H]5CC[NH2+]C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000203987113 562874256 /nfs/dbraw/zinc/87/42/56/562874256.db2.gz GLQMCKGYHGHBCP-NRFANRHFSA-N 0 3 521.061 5.100 1 0 KKAFHN CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn21 ZINC000205490696 562875430 /nfs/dbraw/zinc/87/54/30/562875430.db2.gz KXBWZMRHGBHBBY-UHFFFAOYSA-N 0 3 591.683 5.342 1 0 KKAFHN CCN(c1cc(-c2ccc(CN3CCC(F)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205718122 562875762 /nfs/dbraw/zinc/87/57/62/562875762.db2.gz KTOFMZRJVUPAQG-UHFFFAOYSA-N 0 3 588.768 5.836 1 0 KKAFHN CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc2)nc2nc(C)cn21 ZINC000216212803 562877457 /nfs/dbraw/zinc/87/74/57/562877457.db2.gz ONLWOOCHZYUXQV-UHFFFAOYSA-N 0 3 541.663 5.501 1 0 KKAFHN CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)sc1C ZINC000299824941 562883430 /nfs/dbraw/zinc/88/34/30/562883430.db2.gz FCNFVEJKQISIMT-RUZDIDTESA-N 0 3 545.671 5.714 1 0 KKAFHN CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(-c2ccc(F)cc2)c(F)cc3[O-])CC1 ZINC000299826596 562883919 /nfs/dbraw/zinc/88/39/19/562883919.db2.gz QRUZSZMYHPVHLO-UHFFFAOYSA-N 0 3 680.718 9.411 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4OC)cc3)ccc2OC)c1 ZINC000299829566 562884916 /nfs/dbraw/zinc/88/49/16/562884916.db2.gz HQZWPGMJSPFHAL-UHFFFAOYSA-N 0 3 552.671 6.772 1 0 KKAFHN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)c([O-])cc1O ZINC000299831643 562885682 /nfs/dbraw/zinc/88/56/82/562885682.db2.gz FFYGNZCFVJWTMP-UHFFFAOYSA-N 0 3 544.696 5.952 1 0 KKAFHN O=C(NCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299832150 562885764 /nfs/dbraw/zinc/88/57/64/562885764.db2.gz SCHXMKVUYVNKRR-UHFFFAOYSA-N 0 3 680.724 10.176 1 0 KKAFHN CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299832736 562885906 /nfs/dbraw/zinc/88/59/06/562885906.db2.gz QWJSXCMPSBWNKZ-UHFFFAOYSA-N 0 3 519.433 6.422 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3NC(C)=O)ccc2OC)c1 ZINC000299835116 562886704 /nfs/dbraw/zinc/88/67/04/562886704.db2.gz LRPVVNZLLYIKBA-UHFFFAOYSA-N 0 3 579.697 6.722 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C(F)(F)F)cc1F ZINC000299836583 562887242 /nfs/dbraw/zinc/88/72/42/562887242.db2.gz NSBBTNXMJRENKO-UHFFFAOYSA-N 0 3 715.655 6.321 1 0 KKAFHN CC(C)Oc1ccc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)cc1Cl ZINC000299837683 562887540 /nfs/dbraw/zinc/88/75/40/562887540.db2.gz PCUZGOUHCKTGSC-AREMUKBSSA-N 0 3 576.059 5.832 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(N)c3)ccc2OC)c1 ZINC000299837911 562887707 /nfs/dbraw/zinc/88/77/07/562887707.db2.gz PPLCVFLOOAEEES-UHFFFAOYSA-N 0 3 537.660 6.345 1 0 KKAFHN O=C(Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1)/C(F)=C\CN1CCCCC1 ZINC000299838841 562887966 /nfs/dbraw/zinc/88/79/66/562887966.db2.gz RFXHNJBBKBSDIB-YBHWRHNVSA-N 0 3 544.002 5.611 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(Cl)c3)ccc2OC)c1 ZINC000299840332 562888549 /nfs/dbraw/zinc/88/85/49/562888549.db2.gz VAISKFHGXMTLSU-UHFFFAOYSA-N 0 3 557.090 7.417 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(C)c3)ccc2OC)c1 ZINC000299840932 562888709 /nfs/dbraw/zinc/88/87/09/562888709.db2.gz WWJIOAPWLJEIBL-UHFFFAOYSA-N 0 3 536.672 7.072 1 0 KKAFHN CCN(CC)CCOc1c(I)cc(C(=O)c2c(CC[C@H](C)O)oc3ccccc32)cc1I ZINC000299853250 562891137 /nfs/dbraw/zinc/89/11/37/562891137.db2.gz IIOUFGJTYMDOPR-INIZCTEOSA-N 0 3 661.318 5.907 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299860660 562892987 /nfs/dbraw/zinc/89/29/87/562892987.db2.gz GYANWDNIKGBQDN-UMSFTDKQSA-N 0 3 543.752 7.007 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299861294 562893201 /nfs/dbraw/zinc/89/32/01/562893201.db2.gz IDTWGEUFPVJYSJ-YTTGMZPUSA-N 0 3 515.698 6.227 1 0 KKAFHN COc1cc2oc(-c3ccc(OCC(=O)NCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299862326 562893591 /nfs/dbraw/zinc/89/35/91/562893591.db2.gz JMBDUGUBNUJHAR-UHFFFAOYSA-N 0 3 686.205 7.344 1 0 KKAFHN CCN(CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864118 562894030 /nfs/dbraw/zinc/89/40/30/562894030.db2.gz LZNTUKFMGLSYSB-LABVJWKOSA-N 0 3 559.710 6.182 1 0 KKAFHN Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000299864948 562894272 /nfs/dbraw/zinc/89/42/72/562894272.db2.gz SGWORNLMMGXAHF-LFGICVIVSA-N 0 3 681.793 5.922 1 0 KKAFHN Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2 ZINC000299866484 562894679 /nfs/dbraw/zinc/89/46/79/562894679.db2.gz VXBHWQCEDNMXSE-KYJUHHDHSA-N 0 3 509.612 7.161 1 0 KKAFHN O=C(c1ccc(OCCN2CCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299867314 562894856 /nfs/dbraw/zinc/89/48/56/562894856.db2.gz QDLRHMZRLCCZQC-IEFDIXSJSA-N 0 3 557.694 5.936 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299870692 562895522 /nfs/dbraw/zinc/89/55/22/562895522.db2.gz WSGCGGATBVZWKD-ZVZYGMPWSA-N 0 3 571.721 6.326 1 0 KKAFHN CCCn1ccccc1=Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N=c4ccccn4CCC)cc3)cc2)cc1 ZINC000377813738 562896061 /nfs/dbraw/zinc/89/60/61/562896061.db2.gz RMHOAQQNMUXZTC-UHFFFAOYSA-O 0 3 585.732 7.076 1 0 KKAFHN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OCc3ccccc3)nc2N1C1CCCC1 ZINC000473088022 562897250 /nfs/dbraw/zinc/89/72/50/562897250.db2.gz NJCXJMGQBLIWBL-MUUNZHRXSA-N 0 3 597.764 5.127 1 0 KKAFHN CCN(CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473112318 562898705 /nfs/dbraw/zinc/89/87/05/562898705.db2.gz DNPXQEQJXMUBMQ-UHFFFAOYSA-N 0 3 547.648 6.176 1 0 KKAFHN CCN(CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473115017 562898988 /nfs/dbraw/zinc/89/89/88/562898988.db2.gz QPBMWAWFSURVQQ-UHFFFAOYSA-N 0 3 533.621 5.785 1 0 KKAFHN COc1ccccc1C[N@H+](C)CCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473115886 562899081 /nfs/dbraw/zinc/89/90/81/562899081.db2.gz VDWJWMFMUHNIFR-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN COc1ccccc1C[N@@H+](C)CCCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473115886 562899082 /nfs/dbraw/zinc/89/90/82/562899082.db2.gz VDWJWMFMUHNIFR-UHFFFAOYSA-N 0 3 519.594 5.482 1 0 KKAFHN CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2OC(F)(F)F)c1 ZINC000473147749 562901434 /nfs/dbraw/zinc/90/14/34/562901434.db2.gz FYZFYXXYWRMTHK-UHFFFAOYSA-N 0 3 576.572 5.807 1 0 KKAFHN CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])[N-]C(=O)[C@@H]2C[C@H](c3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473155132 562902386 /nfs/dbraw/zinc/90/23/86/562902386.db2.gz PEVPVBPKLSWPED-RDPSFJRHSA-N 0 3 524.452 5.155 1 0 KKAFHN C[NH+](C)[C@@H]1CCN(C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159174 562902631 /nfs/dbraw/zinc/90/26/31/562902631.db2.gz NIOXRINDLTWWCL-CTUHWIOQSA-N 0 3 581.588 6.535 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CCC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179720 562903391 /nfs/dbraw/zinc/90/33/91/562903391.db2.gz IXCHJMYKGOCIGQ-UEVCKROQSA-N 0 3 537.104 5.288 1 0 KKAFHN CC[NH+](CC)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(OC)c4)cc32)CC1 ZINC000473200833 562903836 /nfs/dbraw/zinc/90/38/36/562903836.db2.gz DYIDCYKYUPJJTQ-HZCBDIJESA-N 0 3 522.089 6.349 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3)c(=O)n2C)cc1F ZINC000474604611 562905319 /nfs/dbraw/zinc/90/53/19/562905319.db2.gz DIKIYXVXEHVPSL-UHFFFAOYSA-N 0 3 654.743 5.241 1 0 KKAFHN O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474607973 562905452 /nfs/dbraw/zinc/90/54/52/562905452.db2.gz KUFHUQCIJOTNEQ-UHFFFAOYSA-N 0 3 528.619 5.256 1 0 KKAFHN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Cl)cc4)C(C)(C)C)ccc3C2)cc1 ZINC000474609714 562905632 /nfs/dbraw/zinc/90/56/32/562905632.db2.gz TUEDGBXWMGGZLJ-UHFFFAOYSA-N 0 3 554.156 5.426 1 0 KKAFHN COc1ccc(-c2nc(Nc3ccc(C(=O)Nc4cc(CN5CCCC5)ccc4C)cc3)ncc2C(F)(F)F)cn1 ZINC000653688555 562906630 /nfs/dbraw/zinc/90/66/30/562906630.db2.gz QPRROUMMIJQXMM-UHFFFAOYSA-N 0 3 562.596 6.466 1 0 KKAFHN COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653699617 562907248 /nfs/dbraw/zinc/90/72/48/562907248.db2.gz QDRJSIIKIUXVRU-JGCGQSQUSA-N 0 3 586.530 6.534 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C)c3)n2)cc1 ZINC000653714155 562908297 /nfs/dbraw/zinc/90/82/97/562908297.db2.gz FULPXOVZKPLHBE-UHFFFAOYSA-N 0 3 535.574 5.796 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4cccc5ccccc54)nn3)cc1)CC2 ZINC000653717554 562908592 /nfs/dbraw/zinc/90/85/92/562908592.db2.gz SGPWZZSFPDVBTN-UHFFFAOYSA-N 0 3 520.633 5.618 1 0 KKAFHN COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 ZINC000653791282 562912654 /nfs/dbraw/zinc/91/26/54/562912654.db2.gz DRWATOKSPFWENI-UHFFFAOYSA-N 0 3 560.743 5.186 1 0 KKAFHN COc1ccc(Cn2c3ccsc3c(CN[C@H](C)c3ccccc3)c2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000653796429 562913142 /nfs/dbraw/zinc/91/31/42/562913142.db2.gz SGLAYWKDSWOYPA-AREMUKBSSA-N 0 3 578.782 6.569 1 0 KKAFHN O=C1O[C@@H](CN2CCC(c3ccc(F)cc3)CC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653802193 562913497 /nfs/dbraw/zinc/91/34/97/562913497.db2.gz ICQJFAJZZLIFSQ-VWLOTQADSA-N 0 3 515.564 5.417 1 0 KKAFHN CN1CCN(Cc2ccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)cc2)CC1 ZINC000653852932 562915601 /nfs/dbraw/zinc/91/56/01/562915601.db2.gz OXKQANQTNWDZFT-UHFFFAOYSA-N 0 3 510.682 5.455 1 0 KKAFHN C[C@@H]1CCc2c(nc3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3nc3c2CC[C@H](C)C3)C1 ZINC000653865331 562916202 /nfs/dbraw/zinc/91/62/02/562916202.db2.gz ICGFWVINGGGKCV-SZPZYZBQSA-N 0 3 575.628 8.268 1 0 KKAFHN C[C@H]1CCc2c(nc3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3nc3c2CC[C@H](C)C3)C1 ZINC000653865332 562916213 /nfs/dbraw/zinc/91/62/13/562916213.db2.gz ICGFWVINGGGKCV-VXKWHMMOSA-N 0 3 575.628 8.268 1 0 KKAFHN CCO[C@@H]1CCc2nc3cc(Cl)ccc3c(NCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3C[C@H](OCC)CC4)c2C1 ZINC000653913886 562917788 /nfs/dbraw/zinc/91/77/88/562917788.db2.gz OQYUUFBXSSRQOH-FQLXRVMXSA-N 0 3 677.761 8.976 1 0 KKAFHN COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000042835355 565111301 /nfs/dbraw/zinc/11/13/01/565111301.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 0 3 608.735 6.440 1 0 biogenic,in-vivo KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)N(C)CC5)OCO4)CCN1C ZINC000085541022 565139042 /nfs/dbraw/zinc/13/90/42/565139042.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 0 3 666.771 6.891 1 0 biogenic,in-vitro KKAFHN CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592892 565148931 /nfs/dbraw/zinc/14/89/31/565148931.db2.gz UFJMIXKHXCZVNQ-ILRRJBECSA-N 0 3 653.772 6.189 1 0 biogenic,in-vitro KKAFHN CCCCCC(CCCCC)CC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631580 565165281 /nfs/dbraw/zinc/16/52/81/565165281.db2.gz FTVXEZCMROEZJI-IVUOSGLUSA-N 0 3 618.839 7.103 1 0 biogenic,in-vitro KKAFHN COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[C@@H](C)[C@]4(C)Cc3ccc(O)cc3)c1)N(C)CC2 ZINC000085648346 565169459 /nfs/dbraw/zinc/16/94/59/565169459.db2.gz DCYYXGAGWFONJI-QRMOXYPWSA-N 0 3 623.790 7.770 1 0 biogenic,in-vitro KKAFHN COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000095909554 565175504 /nfs/dbraw/zinc/17/55/04/565175504.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 0 3 608.735 6.440 1 0 biogenic,in-vitro KKAFHN CN(C)[C@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)C1 ZINC000042808184 581097379 /nfs/dbraw/zinc/09/73/79/581097379.db2.gz BPDPKBWIXIMZMC-NRFANRHFSA-N 0 3 588.665 5.478 1 0 KKAFHN CCNCOc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO3 ZINC000085567570 291939970 /nfs/dbraw/zinc/93/99/70/291939970.db2.gz KNSZPASHXZXTFA-BNHRFMORSA-N 0 3 577.674 5.357 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2c3ccccc3[C@@]3(C)CC=C[C@@H]2C3)c1)CO4 ZINC000085567385 291940450 /nfs/dbraw/zinc/94/04/50/291940450.db2.gz HWRCPRICYJJJDT-NDYBFFBQSA-N 0 3 776.927 6.755 1 0 biogenic,in-vitro KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@H](c2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 ZINC000003801037 561682507 /nfs/dbraw/zinc/68/25/07/561682507.db2.gz NMHBRYQBDQAZRP-PMERELPUSA-N 0 3 511.584 6.628 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000003842934 561684162 /nfs/dbraw/zinc/68/41/62/561684162.db2.gz VGIQUSQBXZXBGW-UHFFFAOYSA-N 0 3 720.837 7.055 1 0 KKAFHN CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000003918820 561685426 /nfs/dbraw/zinc/68/54/26/561685426.db2.gz OEKMGABCSLYWOP-DHUJRADRSA-N 0 3 625.806 8.519 1 0 KKAFHN CCCCOC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000004391840 561694758 /nfs/dbraw/zinc/69/47/58/561694758.db2.gz MSSUTHBWXHMPAX-UHFFFAOYSA-N 0 3 557.712 7.327 1 0 KKAFHN O=C1N(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1c1ccccc1 ZINC000013452517 561713516 /nfs/dbraw/zinc/71/35/16/561713516.db2.gz ZKSRUFVYVYEELI-UHFFFAOYSA-N 0 3 517.048 6.545 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000006717143 561702978 /nfs/dbraw/zinc/70/29/78/561702978.db2.gz IQPWKAIEQBOLPJ-AJQTZOPKSA-N 0 3 583.754 5.875 1 0 KKAFHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCCN3CCc4ccccc4C3)cnn2-c2ccccc2)CC1 ZINC000008597850 561706329 /nfs/dbraw/zinc/70/63/29/561706329.db2.gz XKTWSUHRSKEVKI-UHFFFAOYSA-N 0 3 543.712 5.165 1 0 KKAFHN COc1ccc(Nc2c3cc(NC(=O)c4cc(=O)c5ccccc5o4)ccc3nc3c2CCCC3)cc1OC ZINC000009777102 561709240 /nfs/dbraw/zinc/70/92/40/561709240.db2.gz KHIFQIHQOKIRJA-UHFFFAOYSA-N 0 3 521.573 6.233 1 0 KKAFHN COc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443629 561712951 /nfs/dbraw/zinc/71/29/51/561712951.db2.gz BYJSSJUUKGUDHW-AREMUKBSSA-N 0 3 540.680 5.242 1 0 KKAFHN CCNc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487769 561715261 /nfs/dbraw/zinc/71/52/61/561715261.db2.gz RWRQUENFZNKCHJ-UHFFFAOYSA-N 0 3 508.258 5.489 1 0 KKAFHN c1ccc2c(c1)nc1c(c2NCCCCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000013492741 561716396 /nfs/dbraw/zinc/71/63/96/561716396.db2.gz COEYCPFFRLYNSC-UHFFFAOYSA-N 0 3 523.790 9.085 1 0 in-vitro KKAFHN Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cc(F)ccc1C(F)(F)F ZINC000013609711 561721867 /nfs/dbraw/zinc/72/18/67/561721867.db2.gz CDBHRNGOYLXFNO-QHCPKHFHSA-N 0 3 515.482 5.031 1 0 KKAFHN COc1cc(OC)c([C@@H](CCN2CCCCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013660992 561723354 /nfs/dbraw/zinc/72/33/54/561723354.db2.gz VTBZFOHHWKFOOG-QHCPKHFHSA-N 0 3 527.617 6.214 3 0 KKAFHN CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013674654 561723890 /nfs/dbraw/zinc/72/38/90/561723890.db2.gz FGQKZJQBKCJYLS-UHFFFAOYSA-N 0 3 515.675 6.071 1 0 KKAFHN COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4c(nc5cccc(Cl)c53)CCCC4)c2c1 ZINC000013679424 561724536 /nfs/dbraw/zinc/72/45/36/561724536.db2.gz LSGATBLIVMZRBG-UHFFFAOYSA-N 0 3 519.089 6.588 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780469 561729179 /nfs/dbraw/zinc/72/91/79/561729179.db2.gz OOLKCFWNZIVZNS-SSHYCOHZSA-N 0 3 506.602 5.365 1 0 KKAFHN COc1ccc(OCCN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781688 561729501 /nfs/dbraw/zinc/72/95/01/561729501.db2.gz YMJMLBOAWZAJFV-MUUNZHRXSA-N 0 3 528.759 5.971 1 0 KKAFHN CN(CCOc1ccc2c(c1)OCO2)CCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013799742 561730362 /nfs/dbraw/zinc/73/03/62/561730362.db2.gz KTZFWUUKOUWTMJ-HHHXNRCGSA-N 0 3 528.715 5.301 1 0 KKAFHN COc1cc(O)ccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834314 561734196 /nfs/dbraw/zinc/73/41/96/561734196.db2.gz XIIPLMMVMAKDTM-UHFFFAOYSA-N 0 3 503.620 6.084 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)C[C@H]3c4ccccc4[NH+]=C(N4CCCCC4)N3c3ccccc3)cc2)cc1 ZINC000014191027 561737461 /nfs/dbraw/zinc/73/74/61/561737461.db2.gz TWRWYNXGPAASHN-XIFFEERXSA-N 0 3 607.780 6.537 1 0 in-vivo KKAFHN Clc1cc(Cl)c2c(c1)nc1c(c2NCCCCCCCNc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000014947266 561744556 /nfs/dbraw/zinc/74/45/56/561744556.db2.gz YXYXCYQIHJLUHU-UHFFFAOYSA-N 0 3 561.601 9.322 1 0 KKAFHN CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3[C@H](C1)C2 ZINC000014947318 561744792 /nfs/dbraw/zinc/74/47/92/561744792.db2.gz GCPORJYZTJZXFH-LOSJGSFVSA-N 0 3 613.677 10.439 1 0 in-vivo KKAFHN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3F)cc12 ZINC000014951156 561746001 /nfs/dbraw/zinc/74/60/01/561746001.db2.gz HQBRJIGJLJDFHY-LJQANCHMSA-N 0 3 580.542 5.240 1 0 KKAFHN NC(=O)Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953503 561746622 /nfs/dbraw/zinc/74/66/22/561746622.db2.gz PZTVPHNZFYDIEQ-UHFFFAOYSA-N 0 3 542.467 5.147 1 0 KKAFHN COc1ccc(CNCCCN(c2ccc(=O)n(-c3ccccc3Cl)n2)c2ccccc2Cl)c(OC)c1OC ZINC000014961548 561748459 /nfs/dbraw/zinc/74/84/59/561748459.db2.gz OLFNUOKBBIASKG-UHFFFAOYSA-N 0 3 569.489 5.883 1 0 KKAFHN CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCC2)c1 ZINC000014961954 561748594 /nfs/dbraw/zinc/74/85/94/561748594.db2.gz VRASTFXCOUXZEC-XOUBVTBXSA-N 0 3 589.736 5.455 1 0 KKAFHN O=C1NCc2c(-c3ccccc3Cl)nc(N[C@@H]3CN4CCC3CC4)nc2N1c1c(Cl)cccc1Cl ZINC000014962982 561748709 /nfs/dbraw/zinc/74/87/09/561748709.db2.gz GVXWRVFQOVOOLI-HXUWFJFHSA-N 0 3 529.859 5.971 1 0 KKAFHN CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963796 561749296 /nfs/dbraw/zinc/74/92/96/561749296.db2.gz STGQYQZIWLRALS-UHFFFAOYSA-N 0 3 542.941 7.008 1 0 KKAFHN CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCCN5C)c4)nc3c2)ccn1 ZINC000014965246 561749506 /nfs/dbraw/zinc/74/95/06/561749506.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 0 3 540.546 5.345 1 0 KKAFHN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1 ZINC000014965450 561749603 /nfs/dbraw/zinc/74/96/03/561749603.db2.gz PRFGCHAHYIAXCL-UHFFFAOYSA-N 0 3 557.651 6.132 1 0 KKAFHN CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000017545800 561755988 /nfs/dbraw/zinc/75/59/88/561755988.db2.gz NLLGCKOCGGPZQL-MUUNZHRXSA-N 0 3 598.740 6.616 3 0 KKAFHN COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545818 561756133 /nfs/dbraw/zinc/75/61/33/561756133.db2.gz SCRRLRZNYGLGNP-CZNDPXEESA-N 0 3 635.805 6.564 3 0 KKAFHN COc1ccc2ccccc2c1CCCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000022453554 561759446 /nfs/dbraw/zinc/75/94/46/561759446.db2.gz SLGLZEJKMBCODK-MGBGTMOVSA-N 0 3 546.775 5.695 1 0 in-vivo KKAFHN CC(=O)O[C@H](CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924754 561759680 /nfs/dbraw/zinc/75/96/80/561759680.db2.gz XSOJJKZGFTXNMQ-SSEXGKCCSA-N 0 3 521.652 5.538 1 0 KKAFHN Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941914 561761266 /nfs/dbraw/zinc/76/12/66/561761266.db2.gz DTKUANPECHGGBY-UNMCSNQZSA-N 0 3 502.625 5.479 1 0 KKAFHN Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026152474 561767761 /nfs/dbraw/zinc/76/77/61/561767761.db2.gz LNGXWTLFKRGUFX-UHFFFAOYSA-N 0 3 582.651 5.674 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccccc4)nc3n2)CC1 ZINC000023357766 561761640 /nfs/dbraw/zinc/76/16/40/561761640.db2.gz QEXJMEVOCZLJQX-UHFFFAOYSA-N 0 3 565.509 5.692 1 0 KKAFHN c1cc2c(NCCCN3CCN(CCCNc4nc5ccsc5n5cccc45)CC3)nc3ccsc3n2c1 ZINC000026152048 561767828 /nfs/dbraw/zinc/76/78/28/561767828.db2.gz YZIOXNNMXGAPDH-UHFFFAOYSA-N 0 3 544.754 5.333 1 0 KKAFHN CCCc1cn(CC(=O)N(CCN(CC)CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O ZINC000026008530 561765724 /nfs/dbraw/zinc/76/57/24/561765724.db2.gz LYHMZZTVHAMCGN-UHFFFAOYSA-N 0 3 668.801 7.684 1 0 KKAFHN COc1ccc(OC[C@H](O)CN2CCC(N(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026162934 561768682 /nfs/dbraw/zinc/76/86/82/561768682.db2.gz LRGXNDRYQBWFPC-RUZDIDTESA-N 0 3 513.009 5.039 1 0 KKAFHN COc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4cccc34)CC1)c1cccn12 ZINC000026163727 561768802 /nfs/dbraw/zinc/76/88/02/561768802.db2.gz QOPYENPJTQQFNN-UHFFFAOYSA-N 0 3 592.748 5.227 1 0 KKAFHN C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026166008 561769177 /nfs/dbraw/zinc/76/91/77/561769177.db2.gz YVJCKFKMZVODMS-RDPSFJRHSA-N 0 3 512.597 6.099 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc3c(c1)OCO3)CC2 ZINC000026270502 561777150 /nfs/dbraw/zinc/77/71/50/561777150.db2.gz JAPKDYAEBPSGFI-WJOKGBTCSA-N 0 3 519.707 7.193 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCCC[C@H](Sc1ccc(C)cc1)c1ccc(F)cc1)CC2 ZINC000026275489 561778164 /nfs/dbraw/zinc/77/81/64/561778164.db2.gz BPCHCQPFSUPHAR-HKBQPEDESA-N 0 3 507.715 7.994 1 0 KKAFHN COc1ccc(-c2nc3n(c2CN2CCCN(C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026283916 561779579 /nfs/dbraw/zinc/77/95/79/561779579.db2.gz HHIWRTNTGVLRPY-UHFFFAOYSA-N 0 3 609.702 5.201 1 0 KKAFHN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466845 561789865 /nfs/dbraw/zinc/78/98/65/561789865.db2.gz JBVORPHTFJNKFO-FNZWTVRRSA-N 0 3 543.678 5.654 1 0 KKAFHN CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026495071 561794185 /nfs/dbraw/zinc/79/41/85/561794185.db2.gz AETDPCXHZHTWQD-GDLZYMKVSA-N 0 3 655.261 5.747 1 0 KKAFHN COC(=O)N(Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026495976 561794316 /nfs/dbraw/zinc/79/43/16/561794316.db2.gz DCZWOGGQUQFEII-MUUNZHRXSA-N 0 3 549.737 5.214 1 0 KKAFHN CCCN(C(=O)COc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026503329 561796032 /nfs/dbraw/zinc/79/60/32/561796032.db2.gz XERFUSFVPGQKBI-LJAQVGFWSA-N 0 3 577.791 5.263 1 0 KKAFHN CCCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026568054 561797517 /nfs/dbraw/zinc/79/75/17/561797517.db2.gz XEUUSWNADIRPSG-WJOKGBTCSA-N 0 3 591.818 6.384 1 0 KKAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026578167 561802782 /nfs/dbraw/zinc/80/27/82/561802782.db2.gz HEBWZPZBOOBUDH-UHFFFAOYSA-N 0 3 638.078 5.714 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000026641201 561806587 /nfs/dbraw/zinc/80/65/87/561806587.db2.gz ZHANHEXWYCKKNE-PNBVQZGLSA-N 0 3 557.181 5.289 1 0 KKAFHN CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O)[NH2+]CCOCc1ccccc1 ZINC000026645475 561807369 /nfs/dbraw/zinc/80/73/69/561807369.db2.gz ZIZBIRMUXINVJY-MGBGTMOVSA-N 0 3 643.792 5.473 1 0 KKAFHN CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O)[NH2+]CCOCc1ccccc1 ZINC000026645475 561807372 /nfs/dbraw/zinc/80/73/72/561807372.db2.gz ZIZBIRMUXINVJY-MGBGTMOVSA-N 0 3 643.792 5.473 1 0 KKAFHN CC(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026665653 561811115 /nfs/dbraw/zinc/81/11/15/561811115.db2.gz ZAUVKXIKUDIRRJ-CGQQATSGSA-N 0 3 649.684 8.212 1 0 KKAFHN O=C1N(CCN2CCN([C@H]3C[C@@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668419 561811790 /nfs/dbraw/zinc/81/17/90/561811790.db2.gz IYXNMOCEVXJKKO-YTMVLYRLSA-N 0 3 519.064 5.616 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2ccccc21 ZINC000026670501 561812192 /nfs/dbraw/zinc/81/21/92/561812192.db2.gz OOXDXFUQQOUCNQ-MSYMSKFLSA-N 0 3 625.637 8.149 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccc(OC)c(OC)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026716030 561814058 /nfs/dbraw/zinc/81/40/58/561814058.db2.gz OEJHRMYSNOPXGZ-VQJSHJPSSA-N 0 3 728.887 5.885 1 0 KKAFHN CC(C)([NH3+])CCCS[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026827252 561822231 /nfs/dbraw/zinc/82/22/31/561822231.db2.gz RFPOEVHGNUPAGK-MHZLTWQESA-N 0 3 526.710 5.632 1 0 KKAFHN CC(C)([NH3+])CCCS[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026827252 561822233 /nfs/dbraw/zinc/82/22/33/561822233.db2.gz RFPOEVHGNUPAGK-MHZLTWQESA-N 0 3 526.710 5.632 1 0 KKAFHN O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026836909 561824671 /nfs/dbraw/zinc/82/46/71/561824671.db2.gz NOBMOTJUFCITOE-XZWHSSHBSA-N 0 3 601.838 6.064 1 0 KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 ZINC000026840452 561825608 /nfs/dbraw/zinc/82/56/08/561825608.db2.gz DDDKWJJIQKFHHH-UMSFTDKQSA-N 0 3 568.693 5.364 1 0 KKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OCCc4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027095583 561837980 /nfs/dbraw/zinc/83/79/80/561837980.db2.gz VQQDNJPWCBDBIN-XZLGBSMGSA-N 0 3 518.657 5.489 1 0 KKAFHN COc1ccc([S@@](=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027100757 561838654 /nfs/dbraw/zinc/83/86/54/561838654.db2.gz GWYBBAGPQDTKBI-HUESYALOSA-N 0 3 588.770 5.387 1 0 KKAFHN CN(c1nc2ccccc2s1)C1CCN(CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000027430830 561859322 /nfs/dbraw/zinc/85/93/22/561859322.db2.gz JQMDACVTWFQSGE-PMERELPUSA-N 0 3 594.891 7.162 1 0 KKAFHN CCN(CC)CCO/N=C1\C=C[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]32)C1(C)C ZINC000027410499 561856279 /nfs/dbraw/zinc/85/62/79/561856279.db2.gz KPLRMIZYYDOWGI-PYONYFCHSA-N 0 3 550.784 7.384 1 0 KKAFHN Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027519433 561863049 /nfs/dbraw/zinc/86/30/49/561863049.db2.gz QHHGCBRDJMDQEW-DHLKQENFSA-N 0 3 579.711 6.541 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027549312 561867644 /nfs/dbraw/zinc/86/76/44/561867644.db2.gz XQPITIPYGHBCQW-NDEPHWFRSA-N 0 3 553.650 5.174 1 0 KKAFHN CCSc1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027655886 561877574 /nfs/dbraw/zinc/87/75/74/561877574.db2.gz MMGASXVPDCANQY-BMRADRMJSA-N 0 3 514.739 5.510 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000027657142 561877952 /nfs/dbraw/zinc/87/79/52/561877952.db2.gz BEEQXPRIGOACQA-HSZRJFAPSA-N 0 3 619.515 7.404 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4n3)cc1)CC2 ZINC000027704400 561878527 /nfs/dbraw/zinc/87/85/27/561878527.db2.gz WZBUOTYBWCZPCQ-UHFFFAOYSA-N 0 3 587.680 5.752 1 0 KKAFHN CCCCCOc1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705440 561878602 /nfs/dbraw/zinc/87/86/02/561878602.db2.gz YZEJKUXYDBJSNK-HTXNQAPBSA-N 0 3 540.752 5.967 1 0 KKAFHN CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1C(C)(C)C ZINC000027729873 561881134 /nfs/dbraw/zinc/88/11/34/561881134.db2.gz HENGMAHQPJILJD-UHFFFAOYSA-N 0 3 533.454 5.421 1 0 KKAFHN COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742380 561882665 /nfs/dbraw/zinc/88/26/65/561882665.db2.gz YZWWEMUJDZEDSE-FTJBHMTQSA-N 0 3 525.070 5.624 1 0 KKAFHN O=C1NCN(c2ccccc2)C12CCN(CCCN1c3ccccc3Sc3ccc(Cl)cc31)CC2 ZINC000027862529 561887285 /nfs/dbraw/zinc/88/72/85/561887285.db2.gz WGSKZGGLEWJNMW-UHFFFAOYSA-N 0 3 505.087 5.761 1 0 KKAFHN COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1CN1CCCC1 ZINC000027873904 561888527 /nfs/dbraw/zinc/88/85/27/561888527.db2.gz HVFMQUBMQJSGAC-UHFFFAOYSA-N 0 3 619.809 5.138 1 0 KKAFHN CN(C)CCN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 ZINC000027876686 561888685 /nfs/dbraw/zinc/88/86/85/561888685.db2.gz YLNCPTHZHRDLCS-UHFFFAOYSA-N 0 3 632.208 7.263 1 0 KKAFHN CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccc(I)cc1 ZINC000027881039 561889164 /nfs/dbraw/zinc/88/91/64/561889164.db2.gz HZPBHIYUBKUMQF-DQSJHHFOSA-N 0 3 649.354 7.740 1 0 KKAFHN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3ccc(F)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027881397 561889170 /nfs/dbraw/zinc/88/91/70/561889170.db2.gz IOWNITOQAKITTC-SSEXGKCCSA-N 0 3 508.609 5.401 1 0 KKAFHN O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027882675 561889188 /nfs/dbraw/zinc/88/91/88/561889188.db2.gz KMGAJUYDQHGRHG-RUZDIDTESA-N 0 3 648.471 8.274 1 0 KKAFHN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3cccc(Cl)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887121 561889588 /nfs/dbraw/zinc/88/95/88/561889588.db2.gz IRAHZTFWKBJEBI-SSEXGKCCSA-N 0 3 525.064 5.915 1 0 KKAFHN COc1ccc(OCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028000617 561894700 /nfs/dbraw/zinc/89/47/00/561894700.db2.gz YHANNGGLPWSWDN-HKBQPEDESA-N 0 3 530.690 6.216 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CCC(C)(C)C ZINC000028005339 561895377 /nfs/dbraw/zinc/89/53/77/561895377.db2.gz GZRNNHCCNOMIAZ-NSOVKSMOSA-N 0 3 551.772 5.631 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006360 561895644 /nfs/dbraw/zinc/89/56/44/561895644.db2.gz RPCZLCGFLIHYAS-MRPJDYLLSA-N 0 3 579.160 6.798 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006360 561895646 /nfs/dbraw/zinc/89/56/46/561895646.db2.gz RPCZLCGFLIHYAS-MRPJDYLLSA-N 0 3 579.160 6.798 1 0 KKAFHN COc1ccc(OCCCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028008433 561895962 /nfs/dbraw/zinc/89/59/62/561895962.db2.gz LWRRCCPIMMTAQR-MGBGTMOVSA-N 0 3 558.744 6.997 1 0 KKAFHN O=C(OCC1(N(C(=O)c2ccccc2)c2ccccc2)CCN(CCc2cccs2)CC1)c1ccccc1 ZINC000028099386 561901346 /nfs/dbraw/zinc/90/13/46/561901346.db2.gz SLGLPVWATSKMNM-UHFFFAOYSA-N 0 3 524.686 6.329 1 0 KKAFHN CN(C[C@@H](CCN1CCC(N2C[C@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028129328 561905414 /nfs/dbraw/zinc/90/54/14/561905414.db2.gz ZXOCLNODMLUZQA-POURPWNDSA-N 0 3 547.721 5.139 1 0 KKAFHN COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028225150 561907755 /nfs/dbraw/zinc/90/77/55/561907755.db2.gz VRTXCWRCLYTNCU-UHFFFAOYSA-N 0 3 558.744 6.180 1 0 KKAFHN CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028243278 561910629 /nfs/dbraw/zinc/91/06/29/561910629.db2.gz VXBSDEGPDWQFGQ-NTCAYCPXSA-N 0 3 521.661 5.266 1 0 KKAFHN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(-c4ccc(Cl)c(Cl)c4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000028331940 561912795 /nfs/dbraw/zinc/91/27/95/561912795.db2.gz IDXJXPRQHWCZJP-UHFFFAOYSA-N 0 3 652.048 5.209 1 0 KKAFHN COc1ccc(-c2nc3n(c2CN(C)C2CCN(C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000028237639 561910049 /nfs/dbraw/zinc/91/00/49/561910049.db2.gz QZOGVIUKUHMTRT-UHFFFAOYSA-N 0 3 623.729 5.589 1 0 KKAFHN Cc1c(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028363647 561917162 /nfs/dbraw/zinc/91/71/62/561917162.db2.gz KBKLRZFKELJNLR-MHZLTWQESA-N 0 3 586.708 6.433 1 0 KKAFHN Cc1c(-c2csc(-c3ccc4c(c3)CCO4)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028372416 561918633 /nfs/dbraw/zinc/91/86/33/561918633.db2.gz ZVAOHTOLWMUTDX-VWLOTQADSA-N 0 3 572.637 5.070 1 0 KKAFHN Cc1c(-c2csc(-c3cccc(C(F)(F)F)c3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028380574 561920007 /nfs/dbraw/zinc/92/00/07/561920007.db2.gz YUSXJQGVXATZDX-DEOSSOPVSA-N 0 3 598.597 6.154 1 0 KKAFHN CCOc1c(Br)cc(Br)cc1CNCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028384838 561920813 /nfs/dbraw/zinc/92/08/13/561920813.db2.gz SHVUWJZKWVQIAD-UHFFFAOYSA-N 0 3 553.217 5.931 1 0 KKAFHN O=C(CCCN1CCC([NH+]2CCCCC2)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028389148 561921775 /nfs/dbraw/zinc/92/17/75/561921775.db2.gz WEHDDBQMVJPZHJ-UHFFFAOYSA-N 0 3 622.153 6.965 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(N)c1 ZINC000028390292 561922097 /nfs/dbraw/zinc/92/20/97/561922097.db2.gz NSSMRFRBSUYMLZ-QHCPKHFHSA-N 0 3 526.508 5.805 1 0 KKAFHN Cc1c(-c2csc(Cc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028390157 561922108 /nfs/dbraw/zinc/92/21/08/561922108.db2.gz RRJCEMDPAYFGDJ-VWLOTQADSA-N 0 3 544.627 5.059 1 0 KKAFHN Cc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1 ZINC000028390526 561922128 /nfs/dbraw/zinc/92/21/28/561922128.db2.gz XDHNTYBGOMKUQT-VWLOTQADSA-N 0 3 559.642 5.520 1 0 KKAFHN CCNC(=O)c1ccc(C(c2ccc(C(=O)N(C)C)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccn2)cc1 ZINC000028396934 561923151 /nfs/dbraw/zinc/92/31/51/561923151.db2.gz XKPQDZHNXRQWHU-ISILISOKSA-N 0 3 508.666 5.162 1 0 KKAFHN O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1)Cc1cccnc1 ZINC000028396773 561923198 /nfs/dbraw/zinc/92/31/98/561923198.db2.gz QSMWOVJWANSQGT-CPNJWEJPSA-N 0 3 567.689 7.009 1 0 KKAFHN COc1ccc(CCn2c(C(=O)CNCCc3ccccc3)c(-c3ccc(OC)c(OC)c3)c3c2c(=O)oc2cc(OC)c(OC)cc32)cc1OC ZINC000028459187 561924690 /nfs/dbraw/zinc/92/46/90/561924690.db2.gz XOCYBFYJQUUEQM-UHFFFAOYSA-N 0 3 706.792 6.724 1 0 KKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(C(C)C)cc1Br)CC1CC1 ZINC000028459384 561924854 /nfs/dbraw/zinc/92/48/54/561924854.db2.gz DFOGVCLAMQYSGV-UHFFFAOYSA-N 0 3 547.463 7.805 1 0 KKAFHN COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028464601 561926032 /nfs/dbraw/zinc/92/60/32/561926032.db2.gz HZMVJLWFSIUIPU-ONOMSOESSA-N 0 3 622.166 5.101 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000028464396 561926076 /nfs/dbraw/zinc/92/60/76/561926076.db2.gz MRFZKAWUCKFKJV-FRXPANAUSA-N 0 3 607.239 5.343 1 0 KKAFHN Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000028521831 561929425 /nfs/dbraw/zinc/92/94/25/561929425.db2.gz ACKJXXOVSOCBPX-UHFFFAOYSA-N 0 3 578.805 6.514 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3c[nH]c4ccccc43)cs2)cc1 ZINC000028525397 561931253 /nfs/dbraw/zinc/93/12/53/561931253.db2.gz MBGAQQRKPBSLSM-XIFFEERXSA-N 0 3 608.789 6.549 1 0 KKAFHN CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(C(C)C)cc1Br ZINC000028469268 561926759 /nfs/dbraw/zinc/92/67/59/561926759.db2.gz QWHIYMVSPFPNMI-UHFFFAOYSA-N 0 3 597.523 8.638 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCC(CO)CC1)ncnc2Nc1ncc(SCc2cccc(F)c2)s1 ZINC000028568638 561937394 /nfs/dbraw/zinc/93/73/94/561937394.db2.gz SXHXFOOINNUEPW-UHFFFAOYSA-N 0 3 569.728 5.743 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646344 561945086 /nfs/dbraw/zinc/94/50/86/561945086.db2.gz VEHVBAJFWBANGR-UUWRZZSWSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646298 561945133 /nfs/dbraw/zinc/94/51/33/561945133.db2.gz CZGZZLUJVRZYFA-XIFFEERXSA-N 0 3 514.733 5.420 1 0 KKAFHN COc1ccccc1Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC000028636255 561941200 /nfs/dbraw/zinc/94/12/00/561941200.db2.gz CBHYWTUAPSEVRF-GDLZYMKVSA-N 0 3 575.717 5.220 1 0 KKAFHN COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636477 561941212 /nfs/dbraw/zinc/94/12/12/561941212.db2.gz RJFDSGYXWDYUDR-GDLZYMKVSA-N 0 3 561.690 5.026 1 0 KKAFHN Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)s2)c1 ZINC000028642617 561943658 /nfs/dbraw/zinc/94/36/58/561943658.db2.gz NEJMZWVLFRWQSG-UHFFFAOYSA-N 0 3 526.710 5.429 1 0 KKAFHN Cc1cccc(NC(=O)N(C)Cc2ccc(-c3[nH]nc4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)s2)c1 ZINC000028642617 561943660 /nfs/dbraw/zinc/94/36/60/561943660.db2.gz NEJMZWVLFRWQSG-UHFFFAOYSA-N 0 3 526.710 5.429 1 0 KKAFHN Cc1ccc(-c2ccccc2CCCN2CCN(C[C@H](c3ccc(F)cc3)N3CCN(C(C)C)CC3)CC2)cc1 ZINC000028646395 561945372 /nfs/dbraw/zinc/94/53/72/561945372.db2.gz UMURJMSMTSOEKN-PGUFJCEWSA-N 0 3 542.787 6.119 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646157 561944720 /nfs/dbraw/zinc/94/47/20/561944720.db2.gz UESNQFLPADGGQE-XIFFEERXSA-N 0 3 516.749 5.687 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646118 561944748 /nfs/dbraw/zinc/94/47/48/561944748.db2.gz ZPBDIJQSZTYFIY-MGBGTMOVSA-N 0 3 516.749 5.688 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCCc3c(Br)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646254 561944923 /nfs/dbraw/zinc/94/49/23/561944923.db2.gz ULCBUFYAPVFUKG-MGBGTMOVSA-N 0 3 595.645 6.449 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCCc3c(O)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646263 561944988 /nfs/dbraw/zinc/94/49/88/561944988.db2.gz XLLUJHDMWQXGMF-YTTGMZPUSA-N 0 3 532.748 5.392 1 0 KKAFHN O=C(Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000028702805 561947325 /nfs/dbraw/zinc/94/73/25/561947325.db2.gz VBEHDKBVXALMGR-NDEPHWFRSA-N 0 3 674.711 8.103 1 0 KKAFHN CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702877 561947458 /nfs/dbraw/zinc/94/74/58/561947458.db2.gz PQJGXJKQGVLLQQ-RUZDIDTESA-N 0 3 670.720 8.197 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cccnc5)cc4)CC3)C2=O)c1 ZINC000028704490 561948536 /nfs/dbraw/zinc/94/85/36/561948536.db2.gz OAQMOBFXPMYRII-UHFFFAOYSA-N 0 3 550.634 5.900 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-n5ccnc5)cc4)CC3)C2=O)c1 ZINC000028704459 561948600 /nfs/dbraw/zinc/94/86/00/561948600.db2.gz WIFGAYBFSSWCPA-UHFFFAOYSA-N 0 3 539.611 5.024 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cccc(O)c5)cc4)CC3)C2=O)c1 ZINC000028704534 561948643 /nfs/dbraw/zinc/94/86/43/561948643.db2.gz CKNAYIGNFCNTLX-UHFFFAOYSA-N 0 3 565.645 6.211 1 0 KKAFHN O=C(Cc1c(Cl)cccc1Cl)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714022 561954441 /nfs/dbraw/zinc/95/44/41/561954441.db2.gz WPNNHHPIWBXSBY-UHFFFAOYSA-N 0 3 548.946 5.364 1 0 KKAFHN c1ccc(C(CN2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816193 561964143 /nfs/dbraw/zinc/96/41/43/561964143.db2.gz ZTEXVRHCXLULPT-YATWDLPUSA-N 0 3 624.825 8.433 1 0 KKAFHN COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818157 561965261 /nfs/dbraw/zinc/96/52/61/561965261.db2.gz WLVVWVWAWIFTAL-PMERELPUSA-N 0 3 539.642 5.882 1 0 KKAFHN CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823890 561968580 /nfs/dbraw/zinc/96/85/80/561968580.db2.gz NUALMFMLNXDIHK-AZGAKELHSA-N 0 3 549.518 5.061 1 0 KKAFHN CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827053 561971493 /nfs/dbraw/zinc/97/14/93/561971493.db2.gz BDKKUJXOTBQXCJ-JTWLRGFHSA-N 0 3 578.606 5.669 1 0 KKAFHN COC(=O)/C=C/c1cc(-c2c(C)cc(OC)c3c(OC)cccc23)c(OCc2ccccc2)c2c1C[C@@H](C)N(Cc1ccccc1)[C@@H]2C ZINC000028862011 561971830 /nfs/dbraw/zinc/97/18/30/561971830.db2.gz LIYMLMSCUMVJLZ-OTUDYDONSA-N 0 3 641.808 9.105 1 0 KKAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)c(OC)c1 ZINC000028870625 561974077 /nfs/dbraw/zinc/97/40/77/561974077.db2.gz LTZQHKKUJQVOBT-IOWSJCHKSA-N 0 3 592.744 5.152 1 0 KKAFHN O=C(OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1 ZINC000028879519 561976486 /nfs/dbraw/zinc/97/64/86/561976486.db2.gz HSJXMFJMCVMAKI-WUFINQPMSA-N 0 3 640.168 6.628 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CCSC)c3=O)CC2)C(C)C)c1 ZINC000028874789 561975279 /nfs/dbraw/zinc/97/52/79/561975279.db2.gz RYRWIHMMTQHAQP-MHZLTWQESA-N 0 3 511.732 5.614 1 0 KKAFHN CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCNC[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889643 561978015 /nfs/dbraw/zinc/97/80/15/561978015.db2.gz FXNLHVHHXHWVOF-FNZWTVRRSA-N 0 3 535.063 5.575 1 0 KKAFHN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1 ZINC000028892317 561978319 /nfs/dbraw/zinc/97/83/19/561978319.db2.gz TYMRGXPQAWWLJN-SSEXGKCCSA-N 0 3 615.818 7.607 1 0 KKAFHN O=C(N[C@H](COCC1CCN(c2ccncc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957800 561983439 /nfs/dbraw/zinc/98/34/39/561983439.db2.gz DPZMOLHCLHNTCX-HHHXNRCGSA-N 0 3 523.464 6.274 1 0 KKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)Nc5ccncc5)CC4)cc3)nc2n1 ZINC000029037181 561988409 /nfs/dbraw/zinc/98/84/09/561988409.db2.gz XVJPZVILDPXQTC-UHFFFAOYSA-N 0 3 546.700 6.326 1 0 KKAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(-c2ccccc2C(C)=O)c1 ZINC000029039590 561990058 /nfs/dbraw/zinc/99/00/58/561990058.db2.gz YJKAWDNPEIHQRW-JHOUSYSJSA-N 0 3 604.669 6.466 1 0 KKAFHN CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2cc(F)c(F)cc2F)CC1 ZINC000029042922 561991831 /nfs/dbraw/zinc/99/18/31/561991831.db2.gz FCROUWTVYBCUMB-AHPZMPFVSA-N 0 3 578.119 6.565 1 0 KKAFHN CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2Cl)CC1 ZINC000029043445 561992033 /nfs/dbraw/zinc/99/20/33/561992033.db2.gz WIYYBZMEWSJCLO-GKRYNVPLSA-N 0 3 576.584 6.940 1 0 KKAFHN O=C(Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1)c1ccc(CN2CCCCC2)cc1 ZINC000029046276 561992843 /nfs/dbraw/zinc/99/28/43/561992843.db2.gz WECNWUSUXVLYLK-DHUJRADRSA-N 0 3 624.692 5.823 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)cc1)CC2 ZINC000029063238 561996159 /nfs/dbraw/zinc/99/61/59/561996159.db2.gz YKXTXQJFMGBJLD-UHFFFAOYSA-N 0 3 549.671 6.118 1 0 in-vivo KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cccs4)c3=O)CC2)C(C)C)c1 ZINC000029064377 561996308 /nfs/dbraw/zinc/99/63/08/561996308.db2.gz ACRZXWBNBSPSQH-LJAQVGFWSA-N 0 3 533.738 6.360 1 0 KKAFHN Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3ncc(-c4ncccn4)cc3-c3ccccc3)cc2)CC1 ZINC000029125529 561997728 /nfs/dbraw/zinc/99/77/28/561997728.db2.gz XXODKQJLCQAKIT-UHFFFAOYSA-N 0 3 539.647 5.432 1 0 KKAFHN Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3ncc(-c4ccccn4)cc3-c3ccccc3)cc2)CC1 ZINC000029125572 561997807 /nfs/dbraw/zinc/99/78/07/561997807.db2.gz GJTDWTDYXNLZFY-UHFFFAOYSA-N 0 3 538.659 6.037 1 0 KKAFHN C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2ccon2)cc(-c2ccon2)c1 ZINC000029129114 562001621 /nfs/dbraw/zinc/00/16/21/562001621.db2.gz KZYSQAFJXXLUSQ-MRFDPFKHSA-N 0 3 533.604 5.309 1 0 KKAFHN COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 ZINC000029226118 562008229 /nfs/dbraw/zinc/00/82/29/562008229.db2.gz YAFCWMRGCHJDGO-BCRBLDSWSA-N 0 3 709.884 5.407 1 0 KKAFHN c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)CNC[C@H]3OCCN3CCOCC3)cc2)cc1 ZINC000029208103 562005403 /nfs/dbraw/zinc/00/54/03/562005403.db2.gz QPDCVHOOSRJVPI-XWTVRQILSA-N 0 3 610.795 5.815 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(C(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000029213463 562006189 /nfs/dbraw/zinc/00/61/89/562006189.db2.gz OXPFQDPMHQMMAD-BHVANESWSA-N 0 3 658.803 5.833 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000029217110 562006636 /nfs/dbraw/zinc/00/66/36/562006636.db2.gz DNEJEXULMUZLAR-RRHRGVEJSA-N 0 3 729.882 5.014 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000029217103 562006662 /nfs/dbraw/zinc/00/66/62/562006662.db2.gz DNEJEXULMUZLAR-FAIXQHPJSA-N 0 3 729.882 5.014 1 0 KKAFHN CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335825 562014309 /nfs/dbraw/zinc/01/43/09/562014309.db2.gz LHMWCFQUSQQLNY-PVUKSDKOSA-N 0 3 653.716 7.527 1 0 KKAFHN COc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029337943 562014601 /nfs/dbraw/zinc/01/46/01/562014601.db2.gz UEDGMQJSXUGZAH-HSZRJFAPSA-N 0 3 517.482 5.412 1 0 KKAFHN Nc1nc2cc(Cl)c(Cl)cc2n1CCCOCCCn1c(N)nc2cc(Cl)c(Cl)cc21 ZINC000029406539 562020814 /nfs/dbraw/zinc/02/08/14/562020814.db2.gz ALJLEYVKDUBLRP-UHFFFAOYSA-N 0 3 502.233 5.661 1 0 KKAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000029466612 562024485 /nfs/dbraw/zinc/02/44/85/562024485.db2.gz XKTURQTUCWIGCW-UHFFFAOYSA-N 0 3 681.322 5.668 1 0 KKAFHN CCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029472351 562025778 /nfs/dbraw/zinc/02/57/78/562025778.db2.gz ZUIIAGITXMYQNS-UHFFFAOYSA-N 0 3 531.122 7.205 1 0 KKAFHN CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029479032 562026855 /nfs/dbraw/zinc/02/68/55/562026855.db2.gz ZCYLFOCGPIYOHZ-UHFFFAOYSA-N 0 3 531.122 7.204 1 0 KKAFHN Clc1cc(Cl)c2nc3c(c(SCCCCCCCNc4c5ccccc5nc5c4CCCC5)c2c1)CCCC3 ZINC000029479658 562027029 /nfs/dbraw/zinc/02/70/29/562027029.db2.gz DOLXMZSLBMXBCS-UHFFFAOYSA-N 0 3 578.653 10.002 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](CCCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc21 ZINC000029545110 562029579 /nfs/dbraw/zinc/02/95/79/562029579.db2.gz GPOHXSRIYHKDDY-NDEPHWFRSA-N 0 3 600.612 5.815 1 0 KKAFHN Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 ZINC000033359324 562037271 /nfs/dbraw/zinc/03/72/71/562037271.db2.gz LXROHYSWUUGKNY-DEOSSOPVSA-N 0 3 521.608 6.955 1 0 KKAFHN Cc1ccc(-c2nn(CCCCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801011 562041081 /nfs/dbraw/zinc/04/10/81/562041081.db2.gz RTQJIIMGQUDPIV-UHFFFAOYSA-N 0 3 562.680 7.163 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000036177581 562049425 /nfs/dbraw/zinc/04/94/25/562049425.db2.gz AQLDZPVMATXBPG-UXBLZVDNSA-N 0 3 605.916 7.205 1 0 KKAFHN CCC(CC)CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036188203 562050879 /nfs/dbraw/zinc/05/08/79/562050879.db2.gz OXZIYWHPJYKWLZ-UHFFFAOYSA-N 0 3 550.534 6.922 1 0 KKAFHN CN(C[C@H](CCN1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322388 562055248 /nfs/dbraw/zinc/05/52/48/562055248.db2.gz VDGIWFABCWUAFZ-ZEQRLZLVSA-N 0 3 551.518 6.632 1 0 KKAFHN Cc1cc(C)cc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338830 562057264 /nfs/dbraw/zinc/05/72/64/562057264.db2.gz KWHMNEURGOHDLA-UHFFFAOYSA-N 0 3 526.710 5.395 1 0 KKAFHN Cc1cc(C)cc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338830 562057266 /nfs/dbraw/zinc/05/72/66/562057266.db2.gz KWHMNEURGOHDLA-UHFFFAOYSA-N 0 3 526.710 5.395 1 0 KKAFHN CC(=O)OCCCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351457 562058363 /nfs/dbraw/zinc/05/83/63/562058363.db2.gz FSWBIKQBUVIPHY-UHFFFAOYSA-N 0 3 513.678 5.793 1 0 KKAFHN CN(C(=O)N1CC[C@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000036351495 562058517 /nfs/dbraw/zinc/05/85/17/562058517.db2.gz TYCHPBQYNABPSC-IHLOFXLRSA-N 0 3 590.690 6.161 1 0 KKAFHN CC(=O)Nc1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)cc1 ZINC000036351571 562058665 /nfs/dbraw/zinc/05/86/65/562058665.db2.gz BNAPHCOYBVXRAD-WOEHHYBBSA-N 0 3 542.099 5.029 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(NC(=O)OCc5ccccc5)cc4)C[C@H]23)CC1 ZINC000036351598 562058699 /nfs/dbraw/zinc/05/86/99/562058699.db2.gz NMPFBNIJCAMRID-VOKAMYBESA-N 0 3 634.196 6.820 1 0 KKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000036351772 562059230 /nfs/dbraw/zinc/05/92/30/562059230.db2.gz CDLVRUWCUTVUDT-UHFFFAOYSA-N 0 3 564.686 7.358 1 0 KKAFHN CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000036748746 562061113 /nfs/dbraw/zinc/06/11/13/562061113.db2.gz HFEFFYLNWHUHTO-PGUFJCEWSA-N 0 3 639.789 7.891 1 0 KKAFHN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1 ZINC000036758587 562061475 /nfs/dbraw/zinc/06/14/75/562061475.db2.gz UPXVJAHQYQWZKZ-UHFFFAOYSA-N 0 3 644.748 6.347 1 0 KKAFHN Cc1nc(Nc2cnc(/C=C/c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cn2)cc(N2CCNCC2)n1 ZINC000038146666 562065506 /nfs/dbraw/zinc/06/55/06/562065506.db2.gz JPPOEIQHHADPAN-CMDGGOBGSA-N 0 3 574.611 5.478 3 0 KKAFHN COC(=O)[C@](CCCN1CCN(Cc2ccc(OC)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040395261 562074511 /nfs/dbraw/zinc/07/45/11/562074511.db2.gz GAOCCMGLJNRQJF-MHZLTWQESA-N 0 3 517.508 5.123 1 0 KKAFHN O=C(/C=C/CN1CCCCC1)Nc1cc2c(cc1OCC(F)F)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000038257904 562070780 /nfs/dbraw/zinc/07/07/80/562070780.db2.gz ICDUDMAKDBBZOT-SNAWJCMRSA-N 0 3 519.955 5.790 1 0 KKAFHN Cc1ccc(N(C(=O)N(C)CCCN2CCC3(CC2)OCc2ccccc23)c2ccc(F)c(F)c2)cc1 ZINC000040430365 562076858 /nfs/dbraw/zinc/07/68/58/562076858.db2.gz KVXGDBDRJBDLPL-UHFFFAOYSA-N 0 3 505.609 6.375 1 0 KKAFHN COC(=O)[C@@](CCCN1CCN(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040875572 562082168 /nfs/dbraw/zinc/08/21/68/562082168.db2.gz LJRBNBCTAYVKFU-AREMUKBSSA-N 0 3 503.481 5.127 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000040632381 562078674 /nfs/dbraw/zinc/07/86/74/562078674.db2.gz MLYZFKSNIDVQFS-UHFFFAOYSA-N 0 3 501.667 5.932 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC[C@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040640907 562078733 /nfs/dbraw/zinc/07/87/33/562078733.db2.gz JKVMLYRCSNRRJI-HSZRJFAPSA-N 0 3 523.620 5.983 1 0 KKAFHN CCOC(=O)Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040639719 562078744 /nfs/dbraw/zinc/07/87/44/562078744.db2.gz MSGZXXOBWLWAAV-UHFFFAOYSA-N 0 3 524.608 5.950 1 0 KKAFHN CC(=O)N(CCCCNc1c2ccccc2nc2c1CCCC2)CCCSc1c2ccccc2nc2c1CCCC2 ZINC000042806699 562089805 /nfs/dbraw/zinc/08/98/05/562089805.db2.gz SNCRDVLRIZVJEE-UHFFFAOYSA-N 0 3 566.815 7.764 1 0 KKAFHN C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1)c1ccc(Br)cc1 ZINC000043071299 562645546 /nfs/dbraw/zinc/64/55/46/562645546.db2.gz YUJATLGBNGQBOM-RUZDIDTESA-N 0 3 565.555 8.287 1 0 KKAFHN N=C1Nc2cnc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000043171637 562646572 /nfs/dbraw/zinc/64/65/72/562646572.db2.gz YEMBMUVUIMRSES-NDEPHWFRSA-N 0 3 515.702 6.082 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NCCN(C)C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000043196281 562646778 /nfs/dbraw/zinc/64/67/78/562646778.db2.gz RTYHQIZCRYJKBV-GOSISDBHSA-N 0 3 594.663 6.380 1 0 KKAFHN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2 ZINC000043203209 562646945 /nfs/dbraw/zinc/64/69/45/562646945.db2.gz GCZHKZTYTMTFGU-JHOUSYSJSA-N 0 3 571.762 5.522 1 0 in-vitro KKAFHN CO[C@H](C)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000043206371 562647040 /nfs/dbraw/zinc/64/70/40/562647040.db2.gz IUSARDYWEPUTPN-OZBXUNDUSA-N 0 3 592.806 5.253 1 0 in-vitro KKAFHN Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@H](CN3CCN(c4ccccc4)CC3)c3ccccc3)n1-2 ZINC000043323506 562647858 /nfs/dbraw/zinc/64/78/58/562647858.db2.gz OEMRNLJPDBLZPQ-SSEXGKCCSA-N 0 3 559.117 6.226 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000043544040 562649591 /nfs/dbraw/zinc/64/95/91/562649591.db2.gz ZMTFMZBIOIFBMT-WUXMJOGZSA-N 0 3 537.919 6.186 1 0 KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CCCN3CC(C)C)ncn2)s1 ZINC000044306653 562653803 /nfs/dbraw/zinc/65/38/03/562653803.db2.gz GYHAPTAGIQVJLR-QFIPXVFZSA-N 0 3 598.651 6.582 1 0 KKAFHN CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC2CC2)CC2CC2)CC1 ZINC000044307974 562654193 /nfs/dbraw/zinc/65/41/93/562654193.db2.gz NYAOCKGMVVCWKP-SSEXGKCCSA-N 0 3 570.605 6.604 1 0 KKAFHN CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360946 562655679 /nfs/dbraw/zinc/65/56/79/562655679.db2.gz JLIFFPLWLAEVIL-KMRXNPHXSA-N 0 3 544.567 6.285 1 0 KKAFHN CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044387308 562656056 /nfs/dbraw/zinc/65/60/56/562656056.db2.gz NQMSNOOJBWWGON-VPUSJEBWSA-N 0 3 552.612 5.676 1 0 KKAFHN CSC1=N[C@H](N2CCNCC2)c2c(nc3c(c2-c2ccc(Cl)cc2)CCCC3=Cc2ccc(Cl)cc2)N1 ZINC000044431677 562657897 /nfs/dbraw/zinc/65/78/97/562657897.db2.gz XCZILXVTMCCRHL-HRLDMOHTSA-N 0 3 550.559 6.790 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000045166956 562657944 /nfs/dbraw/zinc/65/79/44/562657944.db2.gz HLMMHUFTDWSTBP-YADHBBJMSA-N 0 3 504.631 5.159 1 0 KKAFHN Cc1cc(NC(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CCN(C(C)C)CC1 ZINC000045167265 562658057 /nfs/dbraw/zinc/65/80/57/562658057.db2.gz JJFXQDXICLGPCA-UHFFFAOYSA-N 0 3 532.560 5.373 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@H](NC(=O)/C=C/c2ccccc2)C1 ZINC000045168894 562658142 /nfs/dbraw/zinc/65/81/42/562658142.db2.gz HEHXADVQZWNADQ-ARCUIZILSA-N 0 3 500.470 5.197 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCOc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000045168558 562658160 /nfs/dbraw/zinc/65/81/60/562658160.db2.gz UPACORAWWDBQNQ-MGBGTMOVSA-N 0 3 544.759 5.647 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCOc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000045168556 562658173 /nfs/dbraw/zinc/65/81/73/562658173.db2.gz UPACORAWWDBQNQ-XIFFEERXSA-N 0 3 544.759 5.647 1 0 KKAFHN CC(=O)Nc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045188648 562658338 /nfs/dbraw/zinc/65/83/38/562658338.db2.gz SLBYFXHYNULWMQ-IBGZPJMESA-N 0 3 501.574 5.644 1 0 KKAFHN Cc1cc2nc(-c3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2cc1Cl ZINC000045189052 562658370 /nfs/dbraw/zinc/65/83/70/562658370.db2.gz NADLJHUJKCFRKS-UHFFFAOYSA-N 0 3 522.480 5.787 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccc1-c1ccccc1 ZINC000045192394 562658641 /nfs/dbraw/zinc/65/86/41/562658641.db2.gz KLUQCKXQCZDUAJ-UHFFFAOYSA-N 0 3 505.445 7.520 1 0 KKAFHN CS(=O)(=O)CCNCc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000045196152 562658956 /nfs/dbraw/zinc/65/89/56/562658956.db2.gz NVAFNYHXVVAUGQ-UHFFFAOYSA-N 0 3 524.646 5.967 1 0 KKAFHN CN1CCN(c2ccc3nc(-c4ccc(Cc5cc(Cl)ccc5OCc5ccccc5)o4)[nH]c3c2)CC1 ZINC000045202759 562659191 /nfs/dbraw/zinc/65/91/91/562659191.db2.gz XDERAFJBCIXZMV-UHFFFAOYSA-N 0 3 513.041 6.398 1 0 KKAFHN O=S(=O)([N-]c1ccc(CCN2CCCC[C@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045228389 562659524 /nfs/dbraw/zinc/65/95/24/562659524.db2.gz WSTUJTFZZOMUPK-PMERELPUSA-N 0 3 517.739 6.037 1 0 KKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)N(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045299958 562660408 /nfs/dbraw/zinc/66/04/08/562660408.db2.gz DLFHYNBGSVLXDR-UHFFFAOYSA-N 0 3 512.698 5.673 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CCCN(CC3CCCCC3)C2)cc1 ZINC000045303019 562660781 /nfs/dbraw/zinc/66/07/81/562660781.db2.gz WYDJYWOGADOEGJ-QHCPKHFHSA-N 0 3 523.621 5.281 1 0 KKAFHN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000045320115 562660992 /nfs/dbraw/zinc/66/09/92/562660992.db2.gz YAPPCPXCPKDGIM-UHFFFAOYSA-N 0 3 526.660 5.606 1 0 KKAFHN CCCCCN1CCC[C@H](CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000045323495 562661183 /nfs/dbraw/zinc/66/11/83/562661183.db2.gz PRVWPDNOPRWOEL-LJQANCHMSA-N 0 3 511.610 5.138 1 0 KKAFHN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CCN(CCNc2ccccc2)CC1 ZINC000045335086 562661335 /nfs/dbraw/zinc/66/13/35/562661335.db2.gz BXQKYIJOGSSDIB-MMURTEQHSA-N 0 3 513.469 5.711 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1c(F)cccc1F ZINC000048307323 562662917 /nfs/dbraw/zinc/66/29/17/562662917.db2.gz ODTDSUJOPUCNMK-UHFFFAOYSA-N 0 3 676.730 7.516 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307312 562662923 /nfs/dbraw/zinc/66/29/23/562662923.db2.gz BDNFLJUVYRSWSN-LJAQVGFWSA-N 0 3 703.555 9.582 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000048307380 562663080 /nfs/dbraw/zinc/66/30/80/562663080.db2.gz BWGRGZKEHVFBRB-ZRDIBKRKSA-N 0 3 551.946 6.576 1 0 KKAFHN Clc1cc2c(cc1-c1ccc(CNCCN3CCOCC3)o1)nccc2Nc1ccc(Oc2ccccc2)cc1 ZINC000048308928 562663158 /nfs/dbraw/zinc/66/31/58/562663158.db2.gz VFOQJTKFOUNMGU-UHFFFAOYSA-N 0 3 555.078 7.106 1 0 KKAFHN CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3ccccc3C)CC1)CC2 ZINC000048999492 562663207 /nfs/dbraw/zinc/66/32/07/562663207.db2.gz CPRSUYJBVWDQCV-NDEPHWFRSA-N 0 3 509.735 6.026 1 0 KKAFHN CCCCc1nc(Cl)c([C@H]2CC(c3ccc(N)cc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049067177 562663947 /nfs/dbraw/zinc/66/39/47/562663947.db2.gz CQNPJVINSHOTME-OAQYLSRUSA-N 0 3 511.482 7.121 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccccc2F)s1)C1CCCCC1 ZINC000049070789 562664100 /nfs/dbraw/zinc/66/41/00/562664100.db2.gz LLIIEEJHMACKQN-WYRQLCSISA-N 0 3 522.690 5.439 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2cccc(F)c2)s1)C1CCCCC1 ZINC000049071657 562664154 /nfs/dbraw/zinc/66/41/54/562664154.db2.gz ZXIUVRCLHAZSCB-WYRQLCSISA-N 0 3 522.690 5.439 1 0 KKAFHN [O-]c1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2cc(F)ccc21 ZINC000049089560 562664492 /nfs/dbraw/zinc/66/44/92/562664492.db2.gz KLRGEDJTDSUZSF-HKBQPEDESA-N 0 3 501.598 6.613 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CCC[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604920 562665082 /nfs/dbraw/zinc/66/50/82/562665082.db2.gz LKUKAZIICBMYIO-LJAQVGFWSA-N 0 3 688.540 9.190 1 0 KKAFHN CN1CCN(CCCN(Cc2ccc(-c3cccc(CNCc4ccc5c(c4)OCO5)c3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000049605071 562665302 /nfs/dbraw/zinc/66/53/02/562665302.db2.gz GMXIBMPBORHLKP-UHFFFAOYSA-N 0 3 610.843 6.309 1 0 KKAFHN CCc1cn(CC(=O)N(CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN(CC)CC)c(SCc2ccc(F)cc2)nc1=O ZINC000049605078 562665342 /nfs/dbraw/zinc/66/53/42/562665342.db2.gz JKPFBEWHKONWHN-UHFFFAOYSA-N 0 3 684.800 7.172 1 0 KKAFHN COc1cc2ccccc2cc1OCCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000049605210 562665514 /nfs/dbraw/zinc/66/55/14/562665514.db2.gz YMYIGUPBKRNGHH-WJOKGBTCSA-N 0 3 548.747 5.141 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605323 562665710 /nfs/dbraw/zinc/66/57/10/562665710.db2.gz OVDABCVZSJHSCR-UHFFFAOYSA-N 0 3 654.201 7.898 1 0 KKAFHN COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)Cc2ccc3c(c2)OCO3)cc1F ZINC000049605334 562665752 /nfs/dbraw/zinc/66/57/52/562665752.db2.gz DDCICDSUYKHCBO-UHFFFAOYSA-N 0 3 737.850 6.553 1 0 KKAFHN Cc1ccc2n[nH]cc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@@H](O)CN3CC=CCC3)cc2)n1 ZINC000049605555 562666035 /nfs/dbraw/zinc/66/60/35/562666035.db2.gz HLAAZUZARIFGMJ-MHZLTWQESA-N 0 3 567.738 6.125 1 0 KKAFHN Cc1ccc2[nH]ncc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@@H](O)CN3CC=CCC3)cc2)n1 ZINC000049605555 562666036 /nfs/dbraw/zinc/66/60/36/562666036.db2.gz HLAAZUZARIFGMJ-MHZLTWQESA-N 0 3 567.738 6.125 1 0 KKAFHN Cc1cc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCN(Cc2ccccc2)CC1 ZINC000049605701 562666271 /nfs/dbraw/zinc/66/62/71/562666271.db2.gz AZMCTKVBGZHVBB-SANMLTNESA-N 0 3 552.546 6.350 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2CCc2cccc(F)c2F)CCC3)CC1 ZINC000049625931 562666967 /nfs/dbraw/zinc/66/69/67/562666967.db2.gz CLNQUVJQSKSRRJ-UHFFFAOYSA-N 0 3 691.785 7.988 1 0 KKAFHN CN1CCC[C@@H](COc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049626239 562667092 /nfs/dbraw/zinc/66/70/92/562667092.db2.gz ZFHWQEUJIOCMOL-GOSISDBHSA-N 0 3 555.904 6.480 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000049626356 562667139 /nfs/dbraw/zinc/66/71/39/562667139.db2.gz XACYZNUBDRDHNM-UIOOFZCWSA-N 0 3 548.609 5.977 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](CC)c2cccc(Cl)c2)cc(N2CCCC2=O)c1 ZINC000049626803 562667383 /nfs/dbraw/zinc/66/73/83/562667383.db2.gz SSBXLIOFVZGGIK-OIFRRMEBSA-N 0 3 563.142 5.342 1 0 KKAFHN COc1ccc(OCCCN2CCN(C[C@@H](c3ccc(F)cc3)N3CCN(C(C)C)CC3)CC2)c2ccccc12 ZINC000049639207 562667700 /nfs/dbraw/zinc/66/77/00/562667700.db2.gz BHPZSUGMORPPQT-HKBQPEDESA-N 0 3 548.747 5.141 1 0 KKAFHN CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[C@](C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049677995 562668436 /nfs/dbraw/zinc/66/84/36/562668436.db2.gz XNEWLEJBYAVWCK-MUUNZHRXSA-N 0 3 602.500 6.545 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4ccccc4C)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049710197 562671571 /nfs/dbraw/zinc/67/15/71/562671571.db2.gz HOWBEVGJZAWCRC-PQQNNWGCSA-N 0 3 606.811 5.862 1 0 KKAFHN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710915 562671897 /nfs/dbraw/zinc/67/18/97/562671897.db2.gz WZXINJTXKIEZPD-NNWRFLSQSA-N 0 3 572.364 6.586 1 0 KKAFHN Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6nccc(N7CCCN(C)CC7)c6cc54)cccc23)cc(C)n1 ZINC000049722697 562672386 /nfs/dbraw/zinc/67/23/86/562672386.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 0 3 541.699 6.412 1 0 KKAFHN COCCN1CCC(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722688 562672389 /nfs/dbraw/zinc/67/23/89/562672389.db2.gz AWSOBCWOGREGSD-UHFFFAOYSA-N 0 3 733.778 7.770 1 0 KKAFHN COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC ZINC000049722706 562672405 /nfs/dbraw/zinc/67/24/05/562672405.db2.gz HNHVMPSSZUKSGA-HHHXNRCGSA-N 0 3 626.845 5.094 1 0 KKAFHN CC(C)(C)c1ccc(C[NH2+]CCOc2ccc([N-]c3nnc(-c4ccc(-c5ncc[nH]5)cc4)o3)c3ccccc23)cc1 ZINC000049722873 562672645 /nfs/dbraw/zinc/67/26/45/562672645.db2.gz XQJULYIOUVJATD-UHFFFAOYSA-N 0 3 558.686 7.490 1 0 KKAFHN CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000049722907 562672693 /nfs/dbraw/zinc/67/26/93/562672693.db2.gz NCGBFKLOKVMVDA-XDFJSJKPSA-N 0 3 596.772 5.103 1 0 KKAFHN CCc1ccc(CNC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)o1 ZINC000049722982 562672755 /nfs/dbraw/zinc/67/27/55/562672755.db2.gz CEMZBHDGSBBBKE-NRFANRHFSA-N 0 3 602.371 5.959 1 0 KKAFHN COc1cccc(C(C)(C)NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCCS3(=O)=O)c2F)c1 ZINC000049723051 562672848 /nfs/dbraw/zinc/67/28/48/562672848.db2.gz DPBFOQPSDUCUGV-CQTOTRCISA-N 0 3 651.845 5.649 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049723230 562673102 /nfs/dbraw/zinc/67/31/02/562673102.db2.gz KWOJGLWJTMKOGT-PIZIKKFZSA-N 0 3 633.793 5.163 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)CC(C)C)CCO2)CC1 ZINC000049723309 562673189 /nfs/dbraw/zinc/67/31/89/562673189.db2.gz CTULACSGASNQTB-SSEXGKCCSA-N 0 3 545.551 6.107 1 0 KKAFHN COc1ccc(Cn2c3ccc(C(=O)NCCN4CCCC4)cc3nc2Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000049723311 562673222 /nfs/dbraw/zinc/67/32/22/562673222.db2.gz DSVTYFNTJQFYIZ-UHFFFAOYSA-N 0 3 572.031 6.335 1 0 KKAFHN O=C([C@@H]1COc2ccccc2O1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049745392 562673843 /nfs/dbraw/zinc/67/38/43/562673843.db2.gz LALWPXBJMSLKPS-HKBQPEDESA-N 0 3 579.726 5.555 1 0 KKAFHN O=C(NCCCCN1CCN(c2cccc3c2CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049745435 562673878 /nfs/dbraw/zinc/67/38/78/562673878.db2.gz FTOWKFNPHKVSIR-UHFFFAOYSA-N 0 3 545.127 5.803 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccsc2c(=O)nc1SCc1ccc(F)cc1 ZINC000049745375 562673880 /nfs/dbraw/zinc/67/38/80/562673880.db2.gz WSOYITMCZCRKQX-UHFFFAOYSA-N 0 3 682.809 7.946 1 0 KKAFHN O=C(C[C@H](NCCCCCCCCN[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000049745938 562674136 /nfs/dbraw/zinc/67/41/36/562674136.db2.gz QCQRCIZXYXWVOZ-ZPGRZCPFSA-N 0 3 715.722 8.374 1 0 KKAFHN O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000049746124 562674254 /nfs/dbraw/zinc/67/42/54/562674254.db2.gz AQBIPWHIWZFQLT-YADHBBJMSA-N 0 3 554.638 6.039 1 0 KKAFHN O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000049746126 562674269 /nfs/dbraw/zinc/67/42/69/562674269.db2.gz AQBIPWHIWZFQLT-VXKWHMMOSA-N 0 3 554.638 6.039 1 0 KKAFHN C[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1CN1CCN(C(=O)C(C)(C)C)CC1)C1CCCCC1 ZINC000049746527 562674478 /nfs/dbraw/zinc/67/44/78/562674478.db2.gz HWKIXDSOUOTBHL-QFIPXVFZSA-N 0 3 546.781 6.352 1 0 KKAFHN CN1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049746763 562674600 /nfs/dbraw/zinc/67/46/00/562674600.db2.gz FTWKOTDTSQWSAL-UHFFFAOYSA-N 0 3 606.837 5.648 1 0 KKAFHN COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OC)c(OCCCN3CCN(C)CC3)cc21 ZINC000049756678 562675142 /nfs/dbraw/zinc/67/51/42/562675142.db2.gz FLGQTDLHJSQLIG-UHFFFAOYSA-N 0 3 570.719 5.684 1 0 KKAFHN CN(C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)N1c1ccccc1 ZINC000049756914 562675296 /nfs/dbraw/zinc/67/52/96/562675296.db2.gz QTRSZPGOWFRCSK-GDLZYMKVSA-N 0 3 571.678 5.443 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1O ZINC000049757057 562675445 /nfs/dbraw/zinc/67/54/45/562675445.db2.gz XXSQNJQHHHVCBG-UHFFFAOYSA-N 0 3 556.692 5.381 1 0 KKAFHN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2cc1OCCCN1CCN(C)CC1 ZINC000049757311 562675828 /nfs/dbraw/zinc/67/58/28/562675828.db2.gz DWCZEZXJZXJTHE-UHFFFAOYSA-N 0 3 540.693 5.675 1 0 KKAFHN CCOC(=O)c1nccn1-c1ccc(NC(=O)[C@H](Oc2cccc3sc(C(=N)N)cc32)c2ccccc2)cc1 ZINC000049766979 562677317 /nfs/dbraw/zinc/67/73/17/562677317.db2.gz QNQQOCOEVIOOFR-RUZDIDTESA-N 0 3 539.617 5.307 1 0 KKAFHN CC(C)(C)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049771932 562678465 /nfs/dbraw/zinc/67/84/65/562678465.db2.gz XBOFJPSCQGVLPB-WUFINQPMSA-N 0 3 635.856 6.323 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1ncnc(NCCCN2CCN(C)CC2)n1 ZINC000049775200 562678938 /nfs/dbraw/zinc/67/89/38/562678938.db2.gz BCNXUFFSRWFFQA-UHFFFAOYSA-N 0 3 644.706 5.583 1 0 KKAFHN O=C(CCOCCc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000049777000 562679484 /nfs/dbraw/zinc/67/94/84/562679484.db2.gz QUZYOFQJXMGVPT-UHFFFAOYSA-N 0 3 561.170 7.376 1 0 KKAFHN CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 ZINC000049777229 562679812 /nfs/dbraw/zinc/67/98/12/562679812.db2.gz MOPHVRWHWYOJKJ-HKBQPEDESA-N 0 3 618.888 5.804 1 0 KKAFHN NC(=O)COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)c([O-])c3)CC2)ccc2c1CCCC2 ZINC000049777721 562680451 /nfs/dbraw/zinc/68/04/51/562680451.db2.gz MSZLSBFWMWNNOT-UHFFFAOYSA-N 0 3 590.164 5.845 1 0 KKAFHN COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@H]4CC[C@@H](C3)N4C)cc2)ccc1Cl ZINC000049777891 562680637 /nfs/dbraw/zinc/68/06/37/562680637.db2.gz PCVYJQQTOFZNQT-PLQXJYEYSA-N 0 3 537.067 6.070 1 0 KKAFHN CCN(CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778355 562681260 /nfs/dbraw/zinc/68/12/60/562681260.db2.gz HEILVIDOVAHKRM-LBFZIJHGSA-N 0 3 648.267 5.183 1 0 KKAFHN CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 ZINC000049781367 562682967 /nfs/dbraw/zinc/68/29/67/562682967.db2.gz TYQZZRQBYYICKJ-ZNZIZOMTSA-N 0 3 620.738 6.206 1 0 KKAFHN COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781406 562683058 /nfs/dbraw/zinc/68/30/58/562683058.db2.gz PQAFUDFHGAKJHZ-SANMLTNESA-N 0 3 666.517 8.508 1 0 KKAFHN CN1CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)N6CCN(c7ccccc7)C6=O)cc5F)c4s3)cc2)CC1 ZINC000049833068 562687502 /nfs/dbraw/zinc/68/75/02/562687502.db2.gz RIXXXEWTJFUQDB-UHFFFAOYSA-N 0 3 636.753 7.116 1 0 KKAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049841121 562688045 /nfs/dbraw/zinc/68/80/45/562688045.db2.gz ZKRCASJJSTVLLH-UHFFFAOYSA-N 0 3 729.836 6.957 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)C[C@H]3c4ccccc4[NH+]=C(N(C)C)N3c3ccccc3)cc2)cc1 ZINC000049850454 562688686 /nfs/dbraw/zinc/68/86/86/562688686.db2.gz BUARRUHMMCHOQJ-PMERELPUSA-N 0 3 567.715 5.613 1 0 in-vivo KKAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2C(F)(F)F)cc1 ZINC000049881559 562690904 /nfs/dbraw/zinc/69/09/04/562690904.db2.gz PXBPKCJLRURUKW-NRFANRHFSA-N 0 3 591.479 5.868 1 0 KKAFHN COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC5)OCO4 ZINC000049888703 562691414 /nfs/dbraw/zinc/69/14/14/562691414.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 0 3 592.692 6.571 1 0 biogenic,in-vitro KKAFHN CC(C)(c1cc(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1)c1ccccc1 ZINC000049889156 562691846 /nfs/dbraw/zinc/69/18/46/562691846.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 0 3 568.806 6.664 1 0 KKAFHN CC(C)(c1cc(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1)c1ccccc1 ZINC000049889156 562691847 /nfs/dbraw/zinc/69/18/47/562691847.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 0 3 568.806 6.664 1 0 KKAFHN CC(C)(c1cc(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n[nH]1)c1ccccc1 ZINC000049889156 562691848 /nfs/dbraw/zinc/69/18/48/562691848.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 0 3 568.806 6.664 1 0 KKAFHN CC(C)(c1cc(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n[nH]1)c1ccccc1 ZINC000049889156 562691849 /nfs/dbraw/zinc/69/18/49/562691849.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 0 3 568.806 6.664 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)Cc4cccc5c(Br)cccc45)CC3)c2c1 ZINC000049917528 562693521 /nfs/dbraw/zinc/69/35/21/562693521.db2.gz KIOUDLLSKQFWCA-NDEPHWFRSA-N 0 3 548.481 5.016 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CCN1C ZINC000049898771 562692834 /nfs/dbraw/zinc/69/28/34/562692834.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 0 3 668.787 6.877 1 0 KKAFHN O=C(c1ccccc1)N1CCC[C@](CCCN2CCN(c3ccccc3O)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049917571 562693541 /nfs/dbraw/zinc/69/35/41/562693541.db2.gz IGADVDXBUGASOJ-HKBQPEDESA-N 0 3 552.546 6.475 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)c2c1 ZINC000049917879 562694065 /nfs/dbraw/zinc/69/40/65/562694065.db2.gz DYYLJIKLFBCHTO-ADZFYQLHSA-N 0 3 709.891 6.752 1 0 KKAFHN CN1CCN(CCCN(Cc2cccc(-c3cccc(CNCc4ccc5c(c4)OCO5)c3)c2)C(=O)CCC2CCCC2)CC1 ZINC000049917945 562694173 /nfs/dbraw/zinc/69/41/73/562694173.db2.gz AIXLHTIELCJLJP-UHFFFAOYSA-N 0 3 610.843 6.309 1 0 KKAFHN Cc1ccc(NC(=S)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000049918074 562694394 /nfs/dbraw/zinc/69/43/94/562694394.db2.gz DOHTZLBHSAHUQU-DHZHZOJOSA-N 0 3 568.014 6.660 1 0 KKAFHN CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942343 562695478 /nfs/dbraw/zinc/69/54/78/562695478.db2.gz AAULUGZZFCAQJP-LJAQVGFWSA-N 0 3 559.736 5.352 1 0 in-vivo KKAFHN COc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@H]4CC[C@@H](C3)N4C)cc2)c1 ZINC000052569992 562695921 /nfs/dbraw/zinc/69/59/21/562695921.db2.gz FKRUTODYQQBSGD-WMPKNSHKSA-N 0 3 502.622 5.417 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc4ccc(Cl)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253723 562696952 /nfs/dbraw/zinc/69/69/52/562696952.db2.gz SJUQOLPRDNYNQN-HUROMRQRSA-N 0 3 539.095 5.665 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc4ccc(Cl)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253723 562696953 /nfs/dbraw/zinc/69/69/53/562696953.db2.gz SJUQOLPRDNYNQN-HUROMRQRSA-N 0 3 539.095 5.665 1 0 KKAFHN CCc1c(C)[nH]c2ccc(-c3cc(C(=O)N4CCN(C5CCN(C(=O)C6CCN(C(C)=O)CC6)CC5)CC4)cc(-c4ccccc4)n3)cc21 ZINC000058547792 562699085 /nfs/dbraw/zinc/69/90/85/562699085.db2.gz IQAIVJYTVVTHMD-UHFFFAOYSA-N 0 3 660.863 5.775 1 0 KKAFHN CN1CCN(C2CCN(c3cc(-n4ccnc4Nc4cc(Nc5ccc(OC(F)(F)F)cc5)ncn4)cc(C(F)(F)F)c3)CC2)CC1 ZINC000058548729 562699168 /nfs/dbraw/zinc/69/91/68/562699168.db2.gz XRJHLPFKTVKRNL-UHFFFAOYSA-N 0 3 661.655 6.283 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCOC)c1 ZINC000058590519 562700290 /nfs/dbraw/zinc/70/02/90/562700290.db2.gz ZWZTXACLCDUUTK-GDLZYMKVSA-N 0 3 673.678 6.672 1 0 KKAFHN CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2C)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000059033299 562701610 /nfs/dbraw/zinc/70/16/10/562701610.db2.gz VXXBVFNSCIQMTG-AREMUKBSSA-N 0 3 577.810 7.724 1 0 KKAFHN CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2C)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000059033297 562701641 /nfs/dbraw/zinc/70/16/41/562701641.db2.gz VXXBVFNSCIQMTG-SANMLTNESA-N 0 3 577.810 7.724 1 0 KKAFHN CC(C)Cc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCC(C)(C)O)cc1 ZINC000059033309 562701645 /nfs/dbraw/zinc/70/16/45/562701645.db2.gz LOZFCOFLGALJOJ-XMMPIXPASA-N 0 3 579.782 6.243 1 0 KKAFHN CC(C)Cc1ccc(CN(C(=Nc2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCC(C)(C)O)cc1 ZINC000059033309 562701646 /nfs/dbraw/zinc/70/16/46/562701646.db2.gz LOZFCOFLGALJOJ-XMMPIXPASA-N 0 3 579.782 6.243 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033355 562701651 /nfs/dbraw/zinc/70/16/51/562701651.db2.gz SRECBNFATAVTCU-HSZRJFAPSA-N 0 3 549.756 6.981 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033355 562701652 /nfs/dbraw/zinc/70/16/52/562701652.db2.gz SRECBNFATAVTCU-HSZRJFAPSA-N 0 3 549.756 6.981 1 0 KKAFHN CCCCCCC(CCCCCC)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033385 562701699 /nfs/dbraw/zinc/70/16/99/562701699.db2.gz RVBDDUYJLFUJEU-UHFFFAOYSA-N 0 3 633.918 9.222 1 0 KKAFHN CCCCCCC(CCCCCC)N(Cc1ccc(CC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033385 562701700 /nfs/dbraw/zinc/70/17/00/562701700.db2.gz RVBDDUYJLFUJEU-UHFFFAOYSA-N 0 3 633.918 9.222 1 0 KKAFHN FC(F)(F)c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059796531 562702372 /nfs/dbraw/zinc/70/23/72/562702372.db2.gz UOFOKNBGWSHUMG-ALQBRSPBSA-N 0 3 510.603 7.789 3 0 KKAFHN CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061906723 562703095 /nfs/dbraw/zinc/70/30/95/562703095.db2.gz SRAUXLKDIRXQJW-OAQYLSRUSA-N 0 3 511.573 5.815 3 0 KKAFHN Cn1cc(CN2CCC(C(=O)N[C@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)c2ccccc21 ZINC000061907289 562703087 /nfs/dbraw/zinc/70/30/87/562703087.db2.gz OGGRXZHPJZOSGR-JGCGQSQUSA-N 0 3 515.661 5.753 3 0 KKAFHN COc1ccc([C@@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061926143 562703576 /nfs/dbraw/zinc/70/35/76/562703576.db2.gz QQYAPCJBIKFBEQ-WJOKGBTCSA-N 0 3 507.634 6.000 3 0 KKAFHN COc1ccc2sc(-c3cc(OC)cc(OC)c3)c(-c3ccc(OCCN4CCCCC4)cc3)c2c1 ZINC000061944875 562703822 /nfs/dbraw/zinc/70/38/22/562703822.db2.gz RXXIZKWGZYFLCL-UHFFFAOYSA-N 0 3 503.664 7.126 3 0 KKAFHN CC[C@@](C)(CCN1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 ZINC000062212975 562704341 /nfs/dbraw/zinc/70/43/41/562704341.db2.gz SYSNHJYXRAUBPE-NDEPHWFRSA-N 0 3 501.662 5.737 1 0 KKAFHN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(Cl)c1 ZINC000064436810 562705217 /nfs/dbraw/zinc/70/52/17/562705217.db2.gz KRHBVAWBKLCFPR-SFTDATJTSA-N 0 3 533.039 5.548 1 0 KKAFHN CCN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448612 562705556 /nfs/dbraw/zinc/70/55/56/562705556.db2.gz DVDIKQQQXLCKGK-SFTDATJTSA-N 0 3 548.601 5.563 1 0 KKAFHN Clc1ccc([C@H](c2ccccc2)N2CCCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064491757 562705968 /nfs/dbraw/zinc/70/59/68/562705968.db2.gz RTXSHWCVMKPGAX-PMERELPUSA-N 0 3 519.520 7.141 1 0 KKAFHN O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000064514004 562706516 /nfs/dbraw/zinc/70/65/16/562706516.db2.gz IJSPBXBGZJAXBL-UHFFFAOYSA-N 0 3 583.816 7.401 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](C(=O)NC2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064526943 562706774 /nfs/dbraw/zinc/70/67/74/562706774.db2.gz IKROAVAVBXVDKX-XVTZWQNCSA-N 0 3 514.510 5.976 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCCC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064528098 562707279 /nfs/dbraw/zinc/70/72/79/562707279.db2.gz RHVQKCNMAFZXCK-OUPRXKBMSA-N 0 3 514.510 6.072 1 0 KKAFHN COc1ccc(C2(CCCN3CCc4cc(OCc5ccccc5)ccc4[C@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064549895 562708192 /nfs/dbraw/zinc/70/81/92/562708192.db2.gz YACCVVUNICRPSW-WJOKGBTCSA-N 0 3 531.693 5.872 1 0 KKAFHN CC(C)(C)c1ccc(C2(CCCN3CCc4cc(OCc5ccccc5)ccc4[C@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064550068 562708225 /nfs/dbraw/zinc/70/82/25/562708225.db2.gz ZLRSPZURKJYEMQ-MGBGTMOVSA-N 0 3 557.775 7.161 1 0 KKAFHN CN(C)C/C=C/C(=O)Nc1cccc(-c2c[nH]c3ncnc(Oc4ccc(NC(=O)CC(=O)Nc5ccc(F)cc5)cc4F)c23)c1 ZINC000064664386 562709006 /nfs/dbraw/zinc/70/90/06/562709006.db2.gz ZADDPMRPBSMSJN-QPJJXVBHSA-N 0 3 625.636 5.719 3 0 KKAFHN Cn1nc(C2CCN(CCC(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1-c1cccnc1 ZINC000066066062 562709243 /nfs/dbraw/zinc/70/92/43/562709243.db2.gz NWIKPVTXURDRHZ-VWLOTQADSA-N 0 3 552.510 5.598 1 0 KKAFHN O=C(Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 ZINC000066075103 562709971 /nfs/dbraw/zinc/70/99/71/562709971.db2.gz RHAYOMZUUNTCTB-GDLZYMKVSA-N 0 3 548.643 5.011 1 0 KKAFHN CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000066097213 562710776 /nfs/dbraw/zinc/71/07/76/562710776.db2.gz AKTDKZICQYOPAE-VVFBEHOQSA-N 0 3 589.583 5.069 1 0 KKAFHN O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 ZINC000066100606 562711262 /nfs/dbraw/zinc/71/12/62/562711262.db2.gz ZXRIWIVIXXWDGK-PGUFJCEWSA-N 0 3 610.843 5.434 1 0 KKAFHN CC(C)c1ccc(-c2ccc(NC(=O)[C@H](NCCN3CCCCC3)c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)cc2)cc1 ZINC000066101593 562711379 /nfs/dbraw/zinc/71/13/79/562711379.db2.gz BYWHBBZUWYOAJA-DRMYUUQQSA-N 0 3 615.822 7.466 1 0 KKAFHN CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066167024 562714214 /nfs/dbraw/zinc/71/42/14/562714214.db2.gz PGSAXCJWCDSMCF-DEOSSOPVSA-N 0 3 521.727 5.319 1 0 KKAFHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000066252752 562714885 /nfs/dbraw/zinc/71/48/85/562714885.db2.gz AJXQHQPJSCMSFK-UHFFFAOYSA-N 0 3 556.883 8.561 1 0 KKAFHN CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@@H]1CCCN(C)C1 ZINC000066259002 562715154 /nfs/dbraw/zinc/71/51/54/562715154.db2.gz GBYAZONQWPEDEC-HXUWFJFHSA-N 0 3 579.593 5.788 1 0 KKAFHN COCCCc1ccc(Cl)c(CN(C(=O)C2=C(c3ccc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)CCNC2)C2CC2)c1 ZINC000068246653 562716126 /nfs/dbraw/zinc/71/61/26/562716126.db2.gz JQBFVGQINSZSAW-UHFFFAOYSA-N 0 3 658.066 7.930 1 0 KKAFHN Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000068248875 562716220 /nfs/dbraw/zinc/71/62/20/562716220.db2.gz FKBIGKZFSSEDIY-UHFFFAOYSA-N 0 3 523.628 5.098 1 0 KKAFHN CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13 ZINC000071316785 562718063 /nfs/dbraw/zinc/71/80/63/562718063.db2.gz OVPROZAAWKHKOP-GFMHJGOASA-N 0 3 615.855 8.084 1 0 KKAFHN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101894 562720248 /nfs/dbraw/zinc/72/02/48/562720248.db2.gz YGWPNWALTMWPRE-QFIPXVFZSA-N 0 3 508.466 5.498 1 0 KKAFHN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101290 562720265 /nfs/dbraw/zinc/72/02/65/562720265.db2.gz DQUUEQRGCDHDRL-JOCHJYFZSA-N 0 3 544.521 5.047 1 0 KKAFHN CCN(CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072112935 562722197 /nfs/dbraw/zinc/72/21/97/562722197.db2.gz YKLLFVQSYPMPIH-KYJUHHDHSA-N 0 3 568.545 7.202 1 0 KKAFHN CCN(CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072112937 562722199 /nfs/dbraw/zinc/72/21/99/562722199.db2.gz YKLLFVQSYPMPIH-IHLOFXLRSA-N 0 3 568.545 7.202 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072113527 562722418 /nfs/dbraw/zinc/72/24/18/562722418.db2.gz JQCMYNGCBCCXJU-CSORWWAUSA-N 0 3 546.718 6.166 1 0 KKAFHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118155 562723394 /nfs/dbraw/zinc/72/33/94/562723394.db2.gz KYIVTVHLBYHQGA-QUGAMOGWSA-N 0 3 560.542 7.556 1 0 KKAFHN COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN(C)C)c3)ncn2)c1Cl ZINC000072123477 562724729 /nfs/dbraw/zinc/72/47/29/562724729.db2.gz VJVZPGBCTGRTJD-UHFFFAOYSA-N 0 3 505.406 5.274 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127730 562725893 /nfs/dbraw/zinc/72/58/93/562725893.db2.gz OHKIQZQGBKFRKA-BBACVFHCSA-N 0 3 662.026 6.467 3 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 562726168 /nfs/dbraw/zinc/72/61/68/562726168.db2.gz KLCGXTOUCTZGOO-FITHBNAOSA-N 0 3 696.264 7.080 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 562726169 /nfs/dbraw/zinc/72/61/69/562726169.db2.gz KLCGXTOUCTZGOO-FITHBNAOSA-N 0 3 696.264 7.080 1 0 KKAFHN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC[C@]12CCCN1C(=O)N(CCCCN1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128773 562726309 /nfs/dbraw/zinc/72/63/09/562726309.db2.gz XULKSGNOZSMMCZ-VZUYHUTRSA-N 0 3 753.026 7.077 1 0 KKAFHN Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134221 562727303 /nfs/dbraw/zinc/72/73/03/562727303.db2.gz JMUQRGSDGTXYBZ-ZQWQDMLBSA-N 0 3 726.069 6.759 3 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072136893 562728182 /nfs/dbraw/zinc/72/81/82/562728182.db2.gz ATTUPCZLFJNLHD-HQPLKVBUSA-N 0 3 714.058 6.528 3 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072139380 562728906 /nfs/dbraw/zinc/72/89/06/562728906.db2.gz ALEFYJITYVGOBP-WISKXVKBSA-N 0 3 730.057 6.233 3 0 KKAFHN COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155023 562730139 /nfs/dbraw/zinc/73/01/39/562730139.db2.gz IOCCJLLQYQBDKI-CONSDPRKSA-N 0 3 682.814 6.523 3 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172207 562730701 /nfs/dbraw/zinc/73/07/01/562730701.db2.gz FXDLFSBOMPJLKF-UHFFFAOYSA-N 0 3 528.605 5.511 1 0 KKAFHN COc1cc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000072173002 562730730 /nfs/dbraw/zinc/73/07/30/562730730.db2.gz FMYKRAFLJUUNIH-UHFFFAOYSA-N 0 3 548.636 5.269 1 0 KKAFHN CN(CCN1CCN(N)CC1)Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)cc1 ZINC000072182467 562732870 /nfs/dbraw/zinc/73/28/70/562732870.db2.gz YMLAHNMDBQZXRZ-UHFFFAOYSA-N 0 3 694.837 6.292 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000073197979 562735580 /nfs/dbraw/zinc/73/55/80/562735580.db2.gz TYLNNGCQIRIJKC-HXUWFJFHSA-N 0 3 579.494 7.087 1 0 KKAFHN O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(CNC2CC2)ccc1Cl)C1CC1 ZINC000073198724 562735831 /nfs/dbraw/zinc/73/58/31/562735831.db2.gz GNTTUIJPNYTMAD-MGBGTMOVSA-N 0 3 617.190 5.074 1 0 KKAFHN O=C(NCCN1CCCCC1)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)ncc3c2)ccn1 ZINC000073258570 562737073 /nfs/dbraw/zinc/73/70/73/562737073.db2.gz INCNZIQEIQYEPG-UHFFFAOYSA-N 0 3 547.457 5.539 1 0 KKAFHN COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C ZINC000073258753 562737132 /nfs/dbraw/zinc/73/71/32/562737132.db2.gz ODCYIKWOTVSPKB-LOYHVIPDSA-N 0 3 622.762 6.743 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000073370736 562738429 /nfs/dbraw/zinc/73/84/29/562738429.db2.gz MJJXCIAWUYSLTC-VUYBWUDLSA-N 0 3 634.793 6.397 1 0 KKAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1 ZINC000073403432 562738670 /nfs/dbraw/zinc/73/86/70/562738670.db2.gz UIZGWTRYQVFMHV-UVDDSOTQSA-N 0 3 569.574 5.373 1 0 KKAFHN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CNC3CC3)ccc2Cl)C2CC2)cc1 ZINC000082140719 562739574 /nfs/dbraw/zinc/73/95/74/562739574.db2.gz NVFLGLBQTPKSRR-MGBGTMOVSA-N 0 3 647.216 5.082 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4c(F)c(F)c(F)c(F)c4F)c4ccccc4c3=O)CC2)c1 ZINC000082157839 562740978 /nfs/dbraw/zinc/74/09/78/562740978.db2.gz ZYWZWAPBWGKDQY-UHFFFAOYSA-N 0 3 570.562 5.987 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000082157918 562741001 /nfs/dbraw/zinc/74/10/01/562741001.db2.gz BDTZGVGKDZTCTN-IZKCBNJNSA-N 0 3 541.095 5.633 1 0 KKAFHN O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)CC2)c(Cl)c1 ZINC000084544619 562743311 /nfs/dbraw/zinc/74/33/11/562743311.db2.gz JJRADQKVVICSCX-UHFFFAOYSA-N 0 3 602.101 5.349 1 0 KKAFHN Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCCC3)ccn2)cc2c[nH]nc21 ZINC000084604086 562744264 /nfs/dbraw/zinc/74/42/64/562744264.db2.gz OATCGYGVXJZTCA-UUWRZZSWSA-N 0 3 618.782 6.784 1 0 KKAFHN Cc1cc(C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(CN3CCCCC3)cn2)cc2c[nH]nc21 ZINC000084614778 562744380 /nfs/dbraw/zinc/74/43/80/562744380.db2.gz VCAWQPVISZKOIS-LJAQVGFWSA-N 0 3 605.787 6.007 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3[C@@H](C1)C2 ZINC000084614740 562744399 /nfs/dbraw/zinc/74/43/99/562744399.db2.gz LUGRPYHMYKPOKB-IZLXSDGUSA-N 0 3 655.758 11.609 1 0 KKAFHN O=C(NCCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084619164 562745193 /nfs/dbraw/zinc/74/51/93/562745193.db2.gz QPKOVCUUEVVGKK-UHFFFAOYSA-N 0 3 511.666 6.793 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4ccccc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084653492 562746884 /nfs/dbraw/zinc/74/68/84/562746884.db2.gz HPLQQIPBTRZDSJ-UMSFTDKQSA-N 0 3 561.085 7.574 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)OCO5)N(C)CC4 ZINC000084653887 562747042 /nfs/dbraw/zinc/74/70/42/562747042.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 0 3 636.745 6.883 1 0 KKAFHN C[C@H](Oc1cc(-c2cc(-c3ccc(CN4CCCCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655183 562747437 /nfs/dbraw/zinc/74/74/37/562747437.db2.gz UDRXFTHAAGUSLS-IBGZPJMESA-N 0 3 580.676 7.303 1 0 KKAFHN C[C@H](Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655193 562747450 /nfs/dbraw/zinc/74/74/50/562747450.db2.gz DNZGEPPZYMAFLN-INIZCTEOSA-N 0 3 540.611 6.379 1 0 KKAFHN C[C@@H](Oc1cc(-c2cc(-c3ccc(CN(C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655416 562747504 /nfs/dbraw/zinc/74/75/04/562747504.db2.gz AKWNDIGQZONPHP-MRXNPFEDSA-N 0 3 540.611 6.379 1 0 KKAFHN COCc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084670404 562748304 /nfs/dbraw/zinc/74/83/04/562748304.db2.gz IMDUBFJHSLNSIL-XIFFEERXSA-N 0 3 629.871 7.934 1 0 KKAFHN CN(C(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000084706863 562750035 /nfs/dbraw/zinc/75/00/35/562750035.db2.gz XFADZMKHUVUZNL-NDEPHWFRSA-N 0 3 504.675 6.591 1 0 KKAFHN Fc1cc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)ccc1Cl ZINC000084709172 562750272 /nfs/dbraw/zinc/75/02/72/562750272.db2.gz TYJLQBFGIJNZAL-YTTGMZPUSA-N 0 3 581.051 6.503 1 0 KKAFHN C[C@H](Oc1cc(-c2nc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712423 562750768 /nfs/dbraw/zinc/75/07/68/562750768.db2.gz GWVVKACJTNKJAO-KRWDZBQOSA-N 0 3 535.570 5.712 1 0 KKAFHN Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)cc1 ZINC000084723425 562751102 /nfs/dbraw/zinc/75/11/02/562751102.db2.gz XSJWMYWMOTWCAL-MUUNZHRXSA-N 0 3 502.977 6.046 1 0 KKAFHN CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000084757227 562752415 /nfs/dbraw/zinc/75/24/15/562752415.db2.gz LPCKLAOPKGFZKH-UHFFFAOYSA-N 0 3 528.649 6.195 1 0 KKAFHN COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000084759487 562752932 /nfs/dbraw/zinc/75/29/32/562752932.db2.gz FSLMXULFVDTVHG-UHFFFAOYSA-N 0 3 538.679 6.501 1 0 KKAFHN CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4c5ccccn5nc4-c4ccccc4)n3)cc2)c1 ZINC000089464853 562753594 /nfs/dbraw/zinc/75/35/94/562753594.db2.gz OCZDPFMSAKKNRH-OQLLNIDSSA-N 0 3 608.706 6.511 1 0 KKAFHN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095538427 562754782 /nfs/dbraw/zinc/75/47/82/562754782.db2.gz CJIAEEZLBUNTLI-FSEITFBQSA-N 0 3 779.945 6.436 1 0 KKAFHN O=C(NN1C(=O)[C@@H](CN2CCCCC2)S[C@@H]1c1ccccc1)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000095540202 562755554 /nfs/dbraw/zinc/75/55/54/562755554.db2.gz PFDHZULVPSJTNO-JRYPVQGPSA-N 0 3 773.551 7.351 1 0 KKAFHN CCN(CC)C[C@H]1S[C@@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540205 562755579 /nfs/dbraw/zinc/75/55/79/562755579.db2.gz KVUNLHHSMXAIAJ-UYHPJTEGSA-N 0 3 761.540 7.207 1 0 KKAFHN CC(C)[C@H](NC(=O)[C@H](NCCc1c[nH]c2ccccc12)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000095546158 562758374 /nfs/dbraw/zinc/75/83/74/562758374.db2.gz KWDFBFZCEVNAHE-WVBQXTTCSA-N 0 3 788.990 5.165 1 0 KKAFHN CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@H]1F ZINC000095552631 562760720 /nfs/dbraw/zinc/76/07/20/562760720.db2.gz UFYHSHPKWNIZHL-RSXGOPAZSA-N 0 3 514.571 5.244 1 0 KKAFHN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553374 562760958 /nfs/dbraw/zinc/76/09/58/562760958.db2.gz ATLHHAOOYRUXSA-HVIUQXSKSA-N 0 3 801.053 6.126 1 0 KKAFHN Fc1cc([C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)c2ccc(Cl)cc2)ccc1CN1CCCC1 ZINC000095555496 562761543 /nfs/dbraw/zinc/76/15/43/562761543.db2.gz FYYHDKQPTNFAPC-MHZLTWQESA-N 0 3 513.966 7.843 1 0 KKAFHN CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(Cc3ccccc3)c2)cc1Cc1ccccc1 ZINC000095557180 562762055 /nfs/dbraw/zinc/76/20/55/562762055.db2.gz VEMJHNZTOTWBSN-UHFFFAOYSA-N 0 3 523.673 6.418 1 0 KKAFHN CCCCc1sc(-c2ccc(OCCN(C)C)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560627 562763110 /nfs/dbraw/zinc/76/31/10/562763110.db2.gz DINSVYZSKVTTPZ-UHFFFAOYSA-N 0 3 507.099 8.206 1 0 KKAFHN O=C(Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 ZINC000095561150 562763272 /nfs/dbraw/zinc/76/32/72/562763272.db2.gz ZOEVOBCGXDCBQC-UHFFFAOYSA-N 0 3 566.609 5.388 1 0 KKAFHN CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095566270 562764834 /nfs/dbraw/zinc/76/48/34/562764834.db2.gz DZGZFXRKNSZUSK-JLELKNTQSA-N 0 3 573.738 5.285 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566302 562764871 /nfs/dbraw/zinc/76/48/71/562764871.db2.gz IFLLFBGKWUQYRJ-WNQKLBQRSA-N 0 3 721.899 6.941 1 0 KKAFHN COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)CC2CCC1N2C(=O)NCc1ccccc1C(F)(F)F ZINC000095566597 562765077 /nfs/dbraw/zinc/76/50/77/562765077.db2.gz DWPPBFLEVXZMAW-WNCULLNHSA-N 0 3 550.577 6.358 3 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095566756 562765271 /nfs/dbraw/zinc/76/52/71/562765271.db2.gz NHGHJDDGJPIKGB-BUEREQSYSA-N 0 3 590.687 5.512 1 0 KKAFHN CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095566943 562765386 /nfs/dbraw/zinc/76/53/86/562765386.db2.gz DKFJGYQTLBOWCX-MKGJDZFWSA-N 0 3 558.723 5.493 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567103 562765529 /nfs/dbraw/zinc/76/55/29/562765529.db2.gz OFYJPRSBIVOGOZ-HNMNOHOESA-N 0 3 666.663 6.649 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095567356 562765719 /nfs/dbraw/zinc/76/57/19/562765719.db2.gz AMEWTOKWBIKYEC-AZAGJHQNSA-N 0 3 664.807 5.446 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567441 562765794 /nfs/dbraw/zinc/76/57/94/562765794.db2.gz VYCOOHAMPRTWAW-NNTYELGISA-N 0 3 719.927 6.745 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568107 562766353 /nfs/dbraw/zinc/76/63/53/562766353.db2.gz XJOPVLQFFGEWNL-JWUQWVJQSA-N 0 3 597.678 5.168 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568251 562766446 /nfs/dbraw/zinc/76/64/46/562766446.db2.gz BYLIWFZGYMHZPB-SFXKCFQESA-N 0 3 674.764 7.297 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568294 562766515 /nfs/dbraw/zinc/76/65/15/562766515.db2.gz KHFPDWFEACXBKS-DGHZZKTQSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568294 562766516 /nfs/dbraw/zinc/76/65/16/562766516.db2.gz KHFPDWFEACXBKS-DGHZZKTQSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568757 562766891 /nfs/dbraw/zinc/76/68/91/562766891.db2.gz CGLNLVFPHXEQAP-BATDWUPUSA-N 0 3 653.529 7.008 1 0 KKAFHN FC(F)(F)c1cccc(C[C@@H]2CN(Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569031 562767111 /nfs/dbraw/zinc/76/71/11/562767111.db2.gz OFGKYXXVDCFLBX-MUUNZHRXSA-N 0 3 541.444 8.777 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570791 562768515 /nfs/dbraw/zinc/76/85/15/562768515.db2.gz STCNQGKHPZHYJD-XDWGWCSASA-N 0 3 711.826 6.096 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095571348 562768991 /nfs/dbraw/zinc/76/89/91/562768991.db2.gz PIPSXTOHKBCCEO-VBEKBXFHSA-N 0 3 702.790 7.416 1 0 KKAFHN COCC(=O)N[C@@H](Cc1cccc(-c2nc(C)cs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572759 562769529 /nfs/dbraw/zinc/76/95/29/562769529.db2.gz IBQBCHBBSWVJOQ-HZFUHODCSA-N 0 3 592.806 5.173 1 0 KKAFHN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095587553 562774337 /nfs/dbraw/zinc/77/43/37/562774337.db2.gz XHZBLSBIPISEOU-UHFFFAOYSA-N 0 3 608.805 10.513 1 0 KKAFHN CN1C[C@H](c2ccc(N3CCCCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095587662 562774396 /nfs/dbraw/zinc/77/43/96/562774396.db2.gz JHYNRHPRTDENDW-DCCHFUKUSA-N 0 3 512.653 6.376 1 0 KKAFHN CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(CCc4ccccc4)c(N)n3)nn2)cc1 ZINC000095589856 562775069 /nfs/dbraw/zinc/77/50/69/562775069.db2.gz GBEMZOQBAYKFTO-UHFFFAOYSA-N 0 3 541.744 5.418 1 0 KKAFHN O=C(N[C@H](C(=O)Nc1cc([C@@H](O)CNCc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095596525 562777008 /nfs/dbraw/zinc/77/70/08/562777008.db2.gz DZUXVCBPFLNAAX-PXLJZGITSA-N 0 3 613.714 6.347 1 0 KKAFHN COc1ccccc1-c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095598679 562777449 /nfs/dbraw/zinc/77/74/49/562777449.db2.gz NCULAECUACJHRA-UHFFFAOYSA-N 0 3 507.674 6.779 3 0 KKAFHN CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095598771 562777520 /nfs/dbraw/zinc/77/75/20/562777520.db2.gz GFBOARZMZBDAJD-OVMXQCPESA-N 0 3 573.738 5.286 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598846 562777560 /nfs/dbraw/zinc/77/75/60/562777560.db2.gz VEYXNSARLJIJRR-GHVZQYPWSA-N 0 3 684.800 7.277 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598789 562777584 /nfs/dbraw/zinc/77/75/84/562777584.db2.gz LFZLAWVTNRSJHJ-CCSCYZPPSA-N 0 3 735.866 6.442 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095599069 562777750 /nfs/dbraw/zinc/77/77/50/562777750.db2.gz ALYJUPPMRYPVCX-DOBRQBTGSA-N 0 3 673.855 5.086 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599110 562777772 /nfs/dbraw/zinc/77/77/72/562777772.db2.gz VEYXNSARLJIJRR-WYOWBBOASA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599267 562777936 /nfs/dbraw/zinc/77/79/36/562777936.db2.gz KTOLAWMRFLMANX-RIKJNLPISA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095599488 562778108 /nfs/dbraw/zinc/77/81/08/562778108.db2.gz CMAOMNSLQLVSHG-PQDHALMWSA-N 0 3 636.715 5.730 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599562 562778164 /nfs/dbraw/zinc/77/81/64/562778164.db2.gz KTOLAWMRFLMANX-FOWIORFYSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600105 562778625 /nfs/dbraw/zinc/77/86/25/562778625.db2.gz RBOAJFBNHJWMOW-FBTROWELSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600357 562778875 /nfs/dbraw/zinc/77/88/75/562778875.db2.gz AOVZEKKCHSEONH-BWLKTWDLSA-N 0 3 655.833 5.554 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600357 562778876 /nfs/dbraw/zinc/77/88/76/562778876.db2.gz AOVZEKKCHSEONH-BWLKTWDLSA-N 0 3 655.833 5.554 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600549 562779025 /nfs/dbraw/zinc/77/90/25/562779025.db2.gz UQRVVYXDOOLUAO-CZWSTMTISA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600549 562779026 /nfs/dbraw/zinc/77/90/26/562779026.db2.gz UQRVVYXDOOLUAO-CZWSTMTISA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095601629 562779653 /nfs/dbraw/zinc/77/96/53/562779653.db2.gz WRYGCPSZOBAIIH-BUACAMDTSA-N 0 3 728.809 7.006 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601980 562779845 /nfs/dbraw/zinc/77/98/45/562779845.db2.gz ZBBNPLMVFVREHD-RIKJNLPISA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601980 562779846 /nfs/dbraw/zinc/77/98/46/562779846.db2.gz ZBBNPLMVFVREHD-RIKJNLPISA-N 0 3 719.867 6.742 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095602778 562780240 /nfs/dbraw/zinc/78/02/40/562780240.db2.gz BWUBMXZZYOWTMV-DGIFUFQNSA-N 0 3 628.692 5.639 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603017 562780260 /nfs/dbraw/zinc/78/02/60/562780260.db2.gz FDDMFJKLVOMWML-HOPFVHLTSA-N 0 3 703.683 7.704 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603063 562780365 /nfs/dbraw/zinc/78/03/65/562780365.db2.gz UIKXZKCHSBRXDR-ZUDLYUOYSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603063 562780366 /nfs/dbraw/zinc/78/03/66/562780366.db2.gz UIKXZKCHSBRXDR-ZUDLYUOYSA-N 0 3 705.840 6.434 1 0 KKAFHN Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(CN6CCOCC6)cc5)cc43)cc2Cl)c1 ZINC000095603836 562780703 /nfs/dbraw/zinc/78/07/03/562780703.db2.gz HIOSUYAPWDJMPN-UHFFFAOYSA-N 0 3 555.053 7.244 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095604323 562781002 /nfs/dbraw/zinc/78/10/02/562781002.db2.gz XGMQKVJTWVADHD-BTHRYZMCSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095604852 562781245 /nfs/dbraw/zinc/78/12/45/562781245.db2.gz WRYGCPSZOBAIIH-LFSBMLFJSA-N 0 3 728.809 7.006 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000095608453 562783558 /nfs/dbraw/zinc/78/35/58/562783558.db2.gz JGBFILKSOSOQIX-SJARJILFSA-N 0 3 785.990 6.439 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095608775 562783700 /nfs/dbraw/zinc/78/37/00/562783700.db2.gz PALXQBXYYREPMI-RWYGWLOXSA-N 0 3 773.935 6.396 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000095670067 562788277 /nfs/dbraw/zinc/78/82/77/562788277.db2.gz UZVLCYSJIDJZJW-LITSAYRRSA-N 0 3 509.568 6.741 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095754189 562788919 /nfs/dbraw/zinc/78/89/19/562788919.db2.gz YDQHBDWJWTWAAY-KSWJDTNCSA-N 0 3 642.675 5.359 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797944 562789193 /nfs/dbraw/zinc/78/91/93/562789193.db2.gz BGHRQJUTYMMBFS-TVUFSCHNSA-N 0 3 564.726 6.636 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095854216 562789600 /nfs/dbraw/zinc/78/96/00/562789600.db2.gz BZQGFEPSUFQXHE-DSRMTXSPSA-N 0 3 648.225 6.160 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095854216 562789601 /nfs/dbraw/zinc/78/96/01/562789601.db2.gz BZQGFEPSUFQXHE-DSRMTXSPSA-N 0 3 648.225 6.160 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095855587 562789661 /nfs/dbraw/zinc/78/96/61/562789661.db2.gz RUOZLMFIBHXSJW-GTNJKRJXSA-N 0 3 584.639 5.702 1 0 KKAFHN COc1cccc(CN(C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095869124 562789948 /nfs/dbraw/zinc/78/99/48/562789948.db2.gz DIYZUOHLOSFTTI-ULPIOCOXSA-N 0 3 555.719 5.344 1 0 KKAFHN CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3cn(-c4ccncc4)nn3)cccc2C1=O ZINC000095872122 562789970 /nfs/dbraw/zinc/78/99/70/562789970.db2.gz UQZBRCMHXQUDCW-UVMFRMCBSA-N 0 3 602.739 6.501 1 0 KKAFHN CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872175 562790030 /nfs/dbraw/zinc/79/00/30/562790030.db2.gz GWOTWXPUOHLDRB-RXFWQSSRSA-N 0 3 521.061 5.367 1 0 KKAFHN CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1 ZINC000096167827 562790625 /nfs/dbraw/zinc/79/06/25/562790625.db2.gz UEAKKVBJRFGORE-UHFFFAOYSA-N 0 3 518.017 5.797 1 0 KKAFHN c1ccc(O[C@H]2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174122 562791686 /nfs/dbraw/zinc/79/16/86/562791686.db2.gz PHHDDLBCGRGYOL-VWLOTQADSA-N 0 3 500.606 6.097 1 0 KKAFHN C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269472 562792941 /nfs/dbraw/zinc/79/29/41/562792941.db2.gz IUSZGKKLIPPMOS-HKBQPEDESA-N 0 3 712.907 9.740 1 0 KKAFHN C[C@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270062 562793163 /nfs/dbraw/zinc/79/31/63/562793163.db2.gz MKEUKPOLBUSZTI-DEOSSOPVSA-N 0 3 614.718 7.009 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271284 562793769 /nfs/dbraw/zinc/79/37/69/562793769.db2.gz XIFDKURJIBPHLZ-UHFFFAOYSA-N 0 3 611.274 10.090 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271295 562793775 /nfs/dbraw/zinc/79/37/75/562793775.db2.gz XWGBBESHNNQHBU-UHFFFAOYSA-N 0 3 640.272 8.426 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271293 562793788 /nfs/dbraw/zinc/79/37/88/562793788.db2.gz XXELTVDCSCBVQQ-UHFFFAOYSA-N 0 3 626.245 8.036 1 0 KKAFHN O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCC5)cc4)cc32)cc1 ZINC000096272638 562794157 /nfs/dbraw/zinc/79/41/57/562794157.db2.gz KOTFMMXTZBRZSW-UHFFFAOYSA-N 0 3 562.674 6.663 1 0 KKAFHN CC(C)Oc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096272779 562794286 /nfs/dbraw/zinc/79/42/86/562794286.db2.gz PIBITIKJRIGPID-UHFFFAOYSA-N 0 3 642.270 5.803 1 0 KKAFHN CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(cc(N4CCCC4)c3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096273401 562794478 /nfs/dbraw/zinc/79/44/78/562794478.db2.gz NNIPUJZFEKQESE-VDCPHJTRSA-N 0 3 624.826 5.085 1 0 KKAFHN O=C(CCCCCNc1c2ccccc2nc2c1CCCC2)NCc1ccc(-c2nc3ccccc3s2)cc1 ZINC000096273397 562794480 /nfs/dbraw/zinc/79/44/80/562794480.db2.gz NCTVXQPNIRKWOM-UHFFFAOYSA-N 0 3 534.729 7.679 1 0 KKAFHN CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 ZINC000096282256 562794668 /nfs/dbraw/zinc/79/46/68/562794668.db2.gz GGDJHNWKACMLOC-NVIJWRNBSA-N 0 3 516.673 5.634 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 ZINC000096285373 562795585 /nfs/dbraw/zinc/79/55/85/562795585.db2.gz NKOHPZAPXOVEEK-LXFBAYGMSA-N 0 3 575.157 5.399 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285388 562795609 /nfs/dbraw/zinc/79/56/09/562795609.db2.gz RQYNLNIHIFFLTK-HFZDXXHNSA-N 0 3 572.219 6.198 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2F)CC1 ZINC000096285440 562795735 /nfs/dbraw/zinc/79/57/35/562795735.db2.gz KJRYGRVOCLJMQX-KMRXNPHXSA-N 0 3 550.723 5.017 1 0 KKAFHN CN(C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 ZINC000096285841 562795891 /nfs/dbraw/zinc/79/58/91/562795891.db2.gz KPLGROMQFNWKJK-QPJJXVBHSA-N 0 3 548.018 5.588 1 0 KKAFHN CCOC(=O)CCCn1c2c3cc(-c4ccc(CN(C)C)cc4)ccc3oc2c(-c2ccccc2)nc1=O ZINC000096906328 562798770 /nfs/dbraw/zinc/79/87/70/562798770.db2.gz VSFIRNPDCSHCLV-UHFFFAOYSA-N 0 3 509.606 5.882 1 0 KKAFHN CCN(CCN(C)C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909022 562799533 /nfs/dbraw/zinc/79/95/33/562799533.db2.gz NWIRRXZBFMFSBT-UHFFFAOYSA-N 0 3 719.853 6.921 1 0 KKAFHN O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CNCCN3CCCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096909019 562799540 /nfs/dbraw/zinc/79/95/40/562799540.db2.gz NTMXVAABCDRDKF-UHFFFAOYSA-N 0 3 731.864 7.113 1 0 KKAFHN CN1CCN(CCCNc2cccc(-c3ncc(-c4cccc(-c5cnc(-c6cccc(NCCCN7CCN(C)CC7)c6)o5)c4)o3)c2)CC1 ZINC000096935082 562804019 /nfs/dbraw/zinc/80/40/19/562804019.db2.gz WVLUTDZKMSAWGU-UHFFFAOYSA-N 0 3 674.894 6.429 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033927 562806213 /nfs/dbraw/zinc/80/62/13/562806213.db2.gz PEGVMPUQDVEUGG-PTBNBFCCSA-N 0 3 533.713 6.597 1 0 KKAFHN CC(C)N1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367543 562810437 /nfs/dbraw/zinc/81/04/37/562810437.db2.gz PAFOOYBINUNMGT-ZRZAMGCNSA-N 0 3 586.144 6.123 1 0 KKAFHN CCN(CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)Cc1ccncc1 ZINC000101696207 562811810 /nfs/dbraw/zinc/81/18/10/562811810.db2.gz TVUDVRPJIVZRRB-UHFFFAOYSA-N 0 3 618.759 6.910 1 0 KKAFHN O=C(CCNCc1ccncc1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696356 562811813 /nfs/dbraw/zinc/81/18/13/562811813.db2.gz VUKASIDJUQSOAO-UHFFFAOYSA-N 0 3 590.705 6.178 1 0 KKAFHN Cc1nc2cc(S(C)(=O)=O)ccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000102252359 562813041 /nfs/dbraw/zinc/81/30/41/562813041.db2.gz HDAOTFXRXUWWMH-PKQPGRETSA-N 0 3 585.774 6.353 1 0 KKAFHN C[C@H](CN(C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229646 562818073 /nfs/dbraw/zinc/81/80/73/562818073.db2.gz VWZHXQMQXIFFGW-OAHLLOKOSA-N 0 3 562.001 5.567 1 0 KKAFHN NC(=O)C[C@]1(Cc2ccc(O)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229882 562818097 /nfs/dbraw/zinc/81/80/97/562818097.db2.gz UYDBENOANLFGKT-VPIZKCOQSA-N 0 3 509.477 6.520 1 0 KKAFHN Clc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230141 562818120 /nfs/dbraw/zinc/81/81/20/562818120.db2.gz WCDYIAVPTZFADG-OEJOPCPASA-N 0 3 536.915 8.046 1 0 KKAFHN NC(=O)[C@]1(c2ccc(Br)nc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103230657 562818245 /nfs/dbraw/zinc/81/82/45/562818245.db2.gz FYVJVUUDRBJPQT-JSCPRHNGSA-N 0 3 545.308 6.290 1 0 KKAFHN CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(CN(C)C)c3)c(C(=O)c3ccccc3)s2)cc1 ZINC000103232892 562818372 /nfs/dbraw/zinc/81/83/72/562818372.db2.gz HMESUMWVSKICEE-UHFFFAOYSA-N 0 3 547.702 5.078 1 0 KKAFHN Cc1ccc(CNC(=O)C[C@@H]2c3ccccc3N=C(N3CCN(CCN(C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240422 562819464 /nfs/dbraw/zinc/81/94/64/562819464.db2.gz ZJBLZPIKNPZNLZ-PSXMRANNSA-N 0 3 600.811 6.097 1 0 KKAFHN COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1 ZINC000103253716 562820587 /nfs/dbraw/zinc/82/05/87/562820587.db2.gz HHLNSVYJOCGXBV-UHFFFAOYSA-N 0 3 509.492 5.603 1 0 KKAFHN CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)cc2)cc1Cc1ccc(-c2ccccc2)cc1 ZINC000103256409 562820843 /nfs/dbraw/zinc/82/08/43/562820843.db2.gz RRXDCXQLRNXVER-UHFFFAOYSA-N 0 3 509.646 6.494 1 0 KKAFHN CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000103257512 562820914 /nfs/dbraw/zinc/82/09/14/562820914.db2.gz JPLQAIOVMZDOCZ-UHFFFAOYSA-N 0 3 540.729 6.741 1 0 KKAFHN CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(Cc3ccc4ccccc4c3)c2)cc1Cc1ccc2ccccc2c1 ZINC000103257571 562820920 /nfs/dbraw/zinc/82/09/20/562820920.db2.gz HFDIMBRAMKMKHF-UHFFFAOYSA-N 0 3 623.793 8.724 1 0 KKAFHN Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3cnn(C)c3)c3cccn3n2)cc1 ZINC000103261539 562821423 /nfs/dbraw/zinc/82/14/23/562821423.db2.gz VWCCWYOGHKBNCB-UHFFFAOYSA-N 0 3 520.641 5.420 1 0 KKAFHN O=C(Nc1ccc(-n2nccn2)nc1)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263319 562821713 /nfs/dbraw/zinc/82/17/13/562821713.db2.gz GXAOUAHPLCWUNS-UHFFFAOYSA-N 0 3 530.032 5.238 1 0 KKAFHN CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1 ZINC000103266237 562822277 /nfs/dbraw/zinc/82/22/77/562822277.db2.gz JVDPAJJJSDTVEH-XLIONFOSSA-N 0 3 607.081 5.225 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267519 562822444 /nfs/dbraw/zinc/82/24/44/562822444.db2.gz LOIGHBAETXRJFT-UHFFFAOYSA-N 0 3 561.608 7.251 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CC[NH+](C)C)cc4)c3c2)cc(Cl)c1[O-] ZINC000114037948 562827260 /nfs/dbraw/zinc/82/72/60/562827260.db2.gz HFTUIMLWYJSWFN-UHFFFAOYSA-N 0 3 516.041 6.710 1 0 KKAFHN CCOc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000114039046 562827323 /nfs/dbraw/zinc/82/73/23/562827323.db2.gz WMUYOVIGRMDEOX-UHFFFAOYSA-N 0 3 508.062 6.030 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000114097624 562827588 /nfs/dbraw/zinc/82/75/88/562827588.db2.gz QOENLXNDSPOHSK-OAQYLSRUSA-N 0 3 525.011 6.027 1 0 KKAFHN COc1cc(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114099875 562827718 /nfs/dbraw/zinc/82/77/18/562827718.db2.gz JAIDXTUIPAUCID-JOCHJYFZSA-N 0 3 519.057 5.546 1 0 KKAFHN CC1(C)c2[nH]nc(NC(=O)c3cccc(Oc4ccccc4)c3)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000114181237 562827827 /nfs/dbraw/zinc/82/78/27/562827827.db2.gz QFLJEWDUPUCDJK-SVBPBHIXSA-N 0 3 590.728 6.016 1 0 KKAFHN CC(C)n1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCN(C(C)C)CC4)ccn32)n1 ZINC000117894745 562830026 /nfs/dbraw/zinc/83/00/26/562830026.db2.gz ZNDRBXGELSYPCL-UHFFFAOYSA-N 0 3 609.779 5.044 1 0 KKAFHN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118797932 562830695 /nfs/dbraw/zinc/83/06/95/562830695.db2.gz WKPFGADMDMLPOJ-MELYXTHRSA-N 0 3 604.191 6.866 1 0 KKAFHN CC1=CC(=O)N(N=c2nc(-c3cccs3)[nH]c3scc(-c4cccc(OCCN5CCCCC5)c4)c32)C1=O ZINC000138499969 562831992 /nfs/dbraw/zinc/83/19/92/562831992.db2.gz YJZVDUMLAPUIJG-UHFFFAOYSA-N 0 3 545.690 5.594 1 0 KKAFHN CCN(CC)Cc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000140370940 562833023 /nfs/dbraw/zinc/83/30/23/562833023.db2.gz FMEMNWKGLCXAJV-YUMHPJSZSA-N 0 3 514.641 7.547 1 0 KKAFHN CCN(C(=O)c1ccc(CNc2nc(NC(C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000141025408 562833423 /nfs/dbraw/zinc/83/34/23/562833423.db2.gz WGNGBKMCAMIONA-UHFFFAOYSA-N 0 3 595.748 5.859 1 0 KKAFHN CN(C)CCOC(=O)c1cc2cccc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3ccccc3)CC4)c2s1 ZINC000141179891 562833492 /nfs/dbraw/zinc/83/34/92/562833492.db2.gz CFSOJMAWPXNFPQ-UHFFFAOYSA-N 0 3 538.677 5.243 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/CN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000141405080 562833592 /nfs/dbraw/zinc/83/35/92/562833592.db2.gz CSQMNCNSZXFMCT-FNORWQNLSA-N 0 3 575.595 5.918 1 0 KKAFHN NC1=N[C@@]2(c3nccn31)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(N3CCC(F)(F)CC3)cc12 ZINC000141900569 562833808 /nfs/dbraw/zinc/83/38/08/562833808.db2.gz QCJMUUJSGJAWBM-MHZLTWQESA-N 0 3 520.490 5.033 1 0 KKAFHN [NH3+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280662 562834112 /nfs/dbraw/zinc/83/41/12/562834112.db2.gz DPRHDWBFUWCIKZ-UGKGYDQZSA-N 0 3 511.496 5.012 1 0 KKAFHN Cc1nc2nc(-c3ccc(CN4CCC(c5cnc6ccccc6n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000143036011 562834481 /nfs/dbraw/zinc/83/44/81/562834481.db2.gz ZCNDMVLBPVBGRY-UHFFFAOYSA-N 0 3 511.633 6.090 1 0 KKAFHN Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)c(C)n2n1 ZINC000143027711 562834505 /nfs/dbraw/zinc/83/45/05/562834505.db2.gz YBOIHMJITDDGEX-UHFFFAOYSA-N 0 3 527.636 5.163 1 0 KKAFHN COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccc(OCCN5CCCC5)cc4OC)nc2-3)c(Cl)c1 ZINC000143048355 562834537 /nfs/dbraw/zinc/83/45/37/562834537.db2.gz OUZRXTYHUJARPR-UHFFFAOYSA-N 0 3 561.086 5.532 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1c(Cl)cccc1Cl)CC2 ZINC000143099636 562834636 /nfs/dbraw/zinc/83/46/36/562834636.db2.gz FBBXUAZLPSQQNS-UHFFFAOYSA-N 0 3 606.558 5.450 1 0 KKAFHN CCN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(Cl)c3)CC4)c(OC)c2)CC1 ZINC000143111131 562834646 /nfs/dbraw/zinc/83/46/46/562834646.db2.gz DYBQWTPWJPAYIN-UHFFFAOYSA-N 0 3 544.103 5.114 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc([C@@H]3CCCN3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144288551 562836034 /nfs/dbraw/zinc/83/60/34/562836034.db2.gz LGSGFTMLNOAYCK-LJAQVGFWSA-N 0 3 504.634 6.578 1 0 KKAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(C)(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000145426455 562837051 /nfs/dbraw/zinc/83/70/51/562837051.db2.gz FXRIGYNVVHBRGS-WYSKKBERSA-N 0 3 576.540 5.693 1 0 KKAFHN CCCCCCSC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC ZINC000145715938 562837513 /nfs/dbraw/zinc/83/75/13/562837513.db2.gz KEPZPPNKHFGZPX-HVLAULJQSA-N 0 3 640.956 8.254 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000145766973 562837607 /nfs/dbraw/zinc/83/76/07/562837607.db2.gz VKUZMCHROLFMPL-NDEPHWFRSA-N 0 3 514.695 6.677 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@H]3C)n1 ZINC000145958792 562837833 /nfs/dbraw/zinc/83/78/33/562837833.db2.gz PHAAEVVSCUDATH-CQSZACIVSA-N 0 3 622.019 6.346 1 0 KKAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@H](c1ccc(Br)cc1)c1ccc(I)cc1)N2C ZINC000146433621 562838578 /nfs/dbraw/zinc/83/85/78/562838578.db2.gz BHKDMCGCJODKJK-MLBCHFTJSA-N 0 3 570.265 5.184 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146833862 562838820 /nfs/dbraw/zinc/83/88/20/562838820.db2.gz KTPMQAQBFZCIRN-PMERELPUSA-N 0 3 509.654 5.759 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146834064 562838828 /nfs/dbraw/zinc/83/88/28/562838828.db2.gz KTPMQAQBFZCIRN-SSEXGKCCSA-N 0 3 509.654 5.759 1 0 KKAFHN CN1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821217 562839722 /nfs/dbraw/zinc/83/97/22/562839722.db2.gz DZEQBPTXICASFA-WMZOPIPTSA-N 0 3 517.605 5.411 1 0 KKAFHN CN1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821005 562839751 /nfs/dbraw/zinc/83/97/51/562839751.db2.gz DZEQBPTXICASFA-AEFFLSMTSA-N 0 3 517.605 5.411 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148152448 562840385 /nfs/dbraw/zinc/84/03/85/562840385.db2.gz GYHYGHAOJFQYNQ-UHFFFAOYSA-N 0 3 629.691 6.353 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148163151 562840406 /nfs/dbraw/zinc/84/04/06/562840406.db2.gz QZWCPFTZFXMAHU-UHFFFAOYSA-N 0 3 616.648 6.295 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148297564 562840913 /nfs/dbraw/zinc/84/09/13/562840913.db2.gz PAFXTPOYHJVSQN-NRFANRHFSA-N 0 3 611.648 5.289 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148307176 562840967 /nfs/dbraw/zinc/84/09/67/562840967.db2.gz QLMICPNJOSHYGU-QFIPXVFZSA-N 0 3 623.659 5.433 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2cncs2)n1 ZINC000148464735 562841393 /nfs/dbraw/zinc/84/13/93/562841393.db2.gz UHAAWRQHRLLPFP-UHFFFAOYSA-N 0 3 584.624 5.987 1 0 KKAFHN Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@@H](c4ccncc4)N4CC(N)C4)cc3c2)c2ccccc2)c(C)c1 ZINC000150255289 562843049 /nfs/dbraw/zinc/84/30/49/562843049.db2.gz GRUZNBXOQLIPOX-SZAHLOSFSA-N 0 3 530.672 5.625 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Br)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538930 562844085 /nfs/dbraw/zinc/84/40/85/562844085.db2.gz DGOMTRBHBFEUNG-UHFFFAOYSA-N 0 3 859.335 7.578 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000150591270 562846209 /nfs/dbraw/zinc/84/62/09/562846209.db2.gz LBTNVOYZSMLSOC-VXYXYZTASA-N 0 3 700.877 6.224 1 0 KKAFHN CC(C)c1nc(CN(C)C(=O)N[C@H](CN(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604115 562847539 /nfs/dbraw/zinc/84/75/39/562847539.db2.gz QFYWEWHEOQPTQQ-ZAPWPRAASA-N 0 3 719.978 5.840 1 0 KKAFHN Cc1cccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCCOCC4)c3)CC2)n1 ZINC000168616708 562851481 /nfs/dbraw/zinc/85/14/81/562851481.db2.gz CBTXIBGWNHIYEA-ISILISOKSA-N 0 3 653.755 5.782 1 0 KKAFHN O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1CN1CC[C@@H](O)C1 ZINC000169294860 562852321 /nfs/dbraw/zinc/85/23/21/562852321.db2.gz ZSYUYCGOXXOFOB-CLJLJLNGSA-N 0 3 548.609 5.977 1 0 KKAFHN OCCN1CCN(CCCC/N=c2\cc(C34CC5CC(CC(C5)C3)C4)sc3ccc(Br)cc32)CC1 ZINC000169316889 562855848 /nfs/dbraw/zinc/85/58/48/562855848.db2.gz OKIXLIZKMSBJQC-GKPLWNPISA-N 0 3 558.630 5.422 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000169317791 562856066 /nfs/dbraw/zinc/85/60/66/562856066.db2.gz YWKQKXOEKQEVAI-RCZVLFRGSA-N 0 3 527.505 6.606 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324445 562857335 /nfs/dbraw/zinc/85/73/35/562857335.db2.gz PZQLXTFQBSNEQQ-UHFFFAOYSA-N 0 3 633.881 8.553 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(CCCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000169324464 562857377 /nfs/dbraw/zinc/85/73/77/562857377.db2.gz QBOYYZIJOZHFMW-MHZLTWQESA-N 0 3 593.772 5.991 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169325205 562857553 /nfs/dbraw/zinc/85/75/53/562857553.db2.gz DKUSVKBLJWMOFH-UHFFFAOYSA-N 0 3 520.721 7.876 1 0 KKAFHN O=C(CCCN1CCC(n2c3ccccc3nc2SC(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000169328756 562858406 /nfs/dbraw/zinc/85/84/06/562858406.db2.gz KPYZECUYMHGITN-UHFFFAOYSA-N 0 3 536.072 7.061 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334051 562859436 /nfs/dbraw/zinc/85/94/36/562859436.db2.gz ARWQGXVGACZQBH-XMMPIXPASA-N 0 3 575.886 8.380 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334294 562859461 /nfs/dbraw/zinc/85/94/61/562859461.db2.gz JCAKUNXXBBAYBT-DEOSSOPVSA-N 0 3 541.441 7.727 1 0 KKAFHN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000169335829 562859725 /nfs/dbraw/zinc/85/97/25/562859725.db2.gz MATNFYHKYBREMY-SANMLTNESA-N 0 3 536.516 6.654 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000169336000 562859791 /nfs/dbraw/zinc/85/97/91/562859791.db2.gz USZXVIBFNVVPER-ATKXTZNESA-N 0 3 592.624 8.456 1 0 KKAFHN Cc1ccc(-c2ccc(Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)nc2)cc1 ZINC000169347478 562862004 /nfs/dbraw/zinc/86/20/04/562862004.db2.gz JJFMYGCJRSWNRN-UHFFFAOYSA-N 0 3 567.177 8.691 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348463 562862235 /nfs/dbraw/zinc/86/22/35/562862235.db2.gz QGLRWLNGMNSBGX-LHEWISCISA-N 0 3 699.896 6.984 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350406 562862790 /nfs/dbraw/zinc/86/27/90/562862790.db2.gz LWLZJKLPPDVLAK-UHFFFAOYSA-N 0 3 687.172 5.951 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(=O)cc2C)cc1F ZINC000169350407 562862801 /nfs/dbraw/zinc/86/28/01/562862801.db2.gz XKYWSOCHHVKGID-UHFFFAOYSA-N 0 3 688.707 5.576 1 0 KKAFHN Brc1c2nc(N3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)[nH]c2c(Br)c(Br)c1Br ZINC000169697593 562866463 /nfs/dbraw/zinc/86/64/63/562866463.db2.gz IKBPPBPUBQVNKU-CQSZACIVSA-N 0 3 692.092 6.047 1 0 KKAFHN CC[C@@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(OCCN4CCCC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702176 562868242 /nfs/dbraw/zinc/86/82/42/562868242.db2.gz LPSQVIVROHUSMB-RUZDIDTESA-N 0 3 538.696 5.744 1 0 KKAFHN CCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@H]4C)c(OC)c2)CC1 ZINC000169702411 562868338 /nfs/dbraw/zinc/86/83/38/562868338.db2.gz NFISIFLEAMLXMW-LJQANCHMSA-N 0 3 586.140 5.823 1 0 KKAFHN CN1CCN(c2ccc(CN3CCC4(CC3)O[C@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)CC1 ZINC000169703938 562868925 /nfs/dbraw/zinc/86/89/25/562868925.db2.gz PLWTZHJSHDGCFT-MUUNZHRXSA-N 0 3 523.508 5.751 1 0 KKAFHN CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000197909741 562872589 /nfs/dbraw/zinc/87/25/89/562872589.db2.gz WQWHNUQONYIRRP-ZRUUCOTKSA-N 0 3 641.897 5.986 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000203796967 562874124 /nfs/dbraw/zinc/87/41/24/562874124.db2.gz WKKSKJNWVQVTNS-IBGZPJMESA-N 0 3 518.017 5.538 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC([C@@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000203798112 562874128 /nfs/dbraw/zinc/87/41/28/562874128.db2.gz GOXWPHHXBRESDW-QGZVFWFLSA-N 0 3 508.062 6.029 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C5CC[NH2+]CC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000203989921 562874340 /nfs/dbraw/zinc/87/43/40/562874340.db2.gz NNCSPKZNJGSGMK-UHFFFAOYSA-N 0 3 520.073 6.078 1 0 KKAFHN CCn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000206145045 562876380 /nfs/dbraw/zinc/87/63/80/562876380.db2.gz ZYJZAJSSCZJWTL-SANMLTNESA-N 0 3 515.485 6.332 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(Oc5ccc(C(C)(C)C)cc5)cc4o3)cc2)C1 ZINC000206719157 562876533 /nfs/dbraw/zinc/87/65/33/562876533.db2.gz LKQLYASAXRFPFM-AREMUKBSSA-N 0 3 585.745 7.953 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N[C@@H]5CC[NH2+]C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000219364903 562878136 /nfs/dbraw/zinc/87/81/36/562878136.db2.gz ORPGXVNRNICFAJ-HXUWFJFHSA-N 0 3 530.028 5.775 1 0 KKAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000220413845 562878464 /nfs/dbraw/zinc/87/84/64/562878464.db2.gz ZKVZOTXXNBKCPI-UKILVPOCSA-N 0 3 541.677 5.447 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(Cl)c1 ZINC000299823640 562882999 /nfs/dbraw/zinc/88/29/99/562882999.db2.gz RZEJRONKXWRWLC-UHFFFAOYSA-N 0 3 527.064 7.408 1 0 KKAFHN O=C(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000299825671 562883667 /nfs/dbraw/zinc/88/36/67/562883667.db2.gz FCLHHKLNBKMBPS-UHFFFAOYSA-N 0 3 833.800 9.747 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)N1Cc2ccccc2C1 ZINC000299825995 562883715 /nfs/dbraw/zinc/88/37/15/562883715.db2.gz DLTFBTLNLNZCBH-UHFFFAOYSA-N 0 3 596.559 5.193 1 0 KKAFHN CN(C)CCNC(=O)[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299828068 562884359 /nfs/dbraw/zinc/88/43/59/562884359.db2.gz GUBQEQSMHAYLBR-PMERELPUSA-N 0 3 589.658 5.970 1 0 KKAFHN C[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)N1C(=O)OC(C)(C)C ZINC000299833094 562886086 /nfs/dbraw/zinc/88/60/86/562886086.db2.gz HLSFNIKGKKTOIA-BNHRFMORSA-N 0 3 609.815 7.606 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299836809 562887319 /nfs/dbraw/zinc/88/73/19/562887319.db2.gz HUXJWUKYHYHUJE-UHFFFAOYSA-N 0 3 693.707 6.366 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299838705 562887916 /nfs/dbraw/zinc/88/79/16/562887916.db2.gz NIRJIZSOOLMPKB-UHFFFAOYSA-N 0 3 688.760 6.143 1 0 KKAFHN CC(C)C[NH2+]Cc1c(C(=O)[O-])sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@H]3CCN(C(C)C)C3)c12 ZINC000299856654 562891969 /nfs/dbraw/zinc/89/19/69/562891969.db2.gz DBAWVRYWKTVMEZ-SANMLTNESA-N 0 3 592.850 6.802 1 0 KKAFHN Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2 ZINC000299860417 562892943 /nfs/dbraw/zinc/89/29/43/562892943.db2.gz JGYRRQGTAWMJLO-KYJUHHDHSA-N 0 3 509.612 7.161 1 0 KKAFHN O=C(NC[C@H]1CN(c2ccc(-n3c(CN4CCCCC4)cc4ccccc43)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000299864223 562894059 /nfs/dbraw/zinc/89/40/59/562894059.db2.gz QWLVZMFNHDXVFA-DEOSSOPVSA-N 0 3 549.096 6.087 1 0 KKAFHN O=C1[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)N(CC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc21 ZINC000299867866 562894965 /nfs/dbraw/zinc/89/49/65/562894965.db2.gz YYGFRZOBIIQIRV-KDXMTYKHSA-N 0 3 725.871 6.838 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN3CCCCC3)O5)ccc2OC)c1 ZINC000299868286 562895075 /nfs/dbraw/zinc/89/50/75/562895075.db2.gz ZPRMBYFIGYTTNA-MUUNZHRXSA-N 0 3 583.641 5.305 1 0 KKAFHN COc1cc(CN(Cc2ccccc2)Cc2ccccc2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848956 562896492 /nfs/dbraw/zinc/89/64/92/562896492.db2.gz GARJYFWIRRBMSQ-UHFFFAOYSA-N 0 3 530.624 6.116 1 0 KKAFHN O=c1sc2ccccc2n1CCCCCN1CCN(CCCCCn2c3ccccc3sc2=O)CC1 ZINC000473082330 562896698 /nfs/dbraw/zinc/89/66/98/562896698.db2.gz HGMFEAOQSOXRCZ-UHFFFAOYSA-N 0 3 524.756 5.098 1 0 KKAFHN CC[C@@H]1C(=O)N(Cc2ccccc2)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473090002 562897465 /nfs/dbraw/zinc/89/74/65/562897465.db2.gz UIBUDYQWIUKWNI-MUUNZHRXSA-N 0 3 597.764 5.127 1 0 KKAFHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCOc2ccc(-c3nc4ccc(Oc5ccc(C(C)(C)C)cc5)cc4o3)cc2)C1 ZINC000473108242 562898386 /nfs/dbraw/zinc/89/83/86/562898386.db2.gz LKQLYASAXRFPFM-SANMLTNESA-N 0 3 585.745 7.953 1 0 KKAFHN COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3cc(C(=O)OCCN(C)C)ccc3OC)c2)cn1 ZINC000473149674 562901561 /nfs/dbraw/zinc/90/15/61/562901561.db2.gz KALPMXWSLWGUIV-UHFFFAOYSA-N 0 3 548.518 5.027 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473154886 562902310 /nfs/dbraw/zinc/90/23/10/562902310.db2.gz MGRHULYUJRQSQW-YTTGMZPUSA-N 0 3 531.697 5.267 1 0 KKAFHN COc1cc(OCCCN2CCC(c3noc4cc(F)ccc43)CC2)ccc1-c1nc2ccccc2o1 ZINC000473155226 562902383 /nfs/dbraw/zinc/90/23/83/562902383.db2.gz QLUKUUCJXHPADS-UHFFFAOYSA-N 0 3 501.558 6.432 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179743 562903473 /nfs/dbraw/zinc/90/34/73/562903473.db2.gz RWQUGWZUVFWOSC-UEVCKROQSA-N 0 3 538.088 5.321 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179743 562903474 /nfs/dbraw/zinc/90/34/74/562903474.db2.gz RWQUGWZUVFWOSC-UEVCKROQSA-N 0 3 538.088 5.321 1 0 KKAFHN CC(=O)c1cnc2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC000473183036 562903557 /nfs/dbraw/zinc/90/35/57/562903557.db2.gz KJDUYBFBDHLXHW-HMXCVIKNSA-N 0 3 541.523 5.851 1 0 KKAFHN Cc1cc(-c2c(Cl)cccc2Cl)cc2c1nc(=Nc1ccc(OCCN3CCCC3)cc1)[nH][n+]2[O-] ZINC000473214430 562903977 /nfs/dbraw/zinc/90/39/77/562903977.db2.gz UVVHCPTXQOXZQE-UHFFFAOYSA-N 0 3 511.433 5.978 1 0 KKAFHN CCN(c1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243792 562904704 /nfs/dbraw/zinc/90/47/04/562904704.db2.gz AUJFBLHEAXEECH-MCZWQBSQSA-N 0 3 582.753 5.189 1 0 KKAFHN CCN(c1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243792 562904705 /nfs/dbraw/zinc/90/47/05/562904705.db2.gz AUJFBLHEAXEECH-MCZWQBSQSA-N 0 3 582.753 5.189 1 0 KKAFHN CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1 ZINC000474605979 562905366 /nfs/dbraw/zinc/90/53/66/562905366.db2.gz GVZZRHUNVMFTRT-UHFFFAOYSA-N 0 3 598.607 5.399 1 0 KKAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000653688523 562906579 /nfs/dbraw/zinc/90/65/79/562906579.db2.gz IBYFQHBVYWWLLA-UHFFFAOYSA-N 0 3 532.044 6.152 1 0 KKAFHN CN(C)CC[C@@](O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21 ZINC000653714244 562908394 /nfs/dbraw/zinc/90/83/94/562908394.db2.gz GHGVFXRKINKBLR-MZRINYFPSA-N 0 3 638.606 7.625 1 0 KKAFHN N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000653729248 562909341 /nfs/dbraw/zinc/90/93/41/562909341.db2.gz QAMGHHNKEMMJPU-BCRBLDSWSA-N 0 3 658.843 5.555 1 0 KKAFHN Cc1nc(N[C@H](C)c2cccc(-c3cnc(NCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653747927 562910507 /nfs/dbraw/zinc/91/05/07/562910507.db2.gz CQBVNWCZOHAILE-GOSISDBHSA-N 0 3 510.671 5.665 1 0 KKAFHN O=C(NC1CC1)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653760811 562911273 /nfs/dbraw/zinc/91/12/73/562911273.db2.gz DSAGALBXAVZTHZ-UHFFFAOYSA-N 0 3 582.630 5.936 1 0 KKAFHN CCN1CCN(c2ccc3[nH]c(-c4n[nH]c5ccc(O[C@H](C)c6c(Cl)cncc6Cl)cc54)nc3c2)CC1 ZINC000653825434 562914378 /nfs/dbraw/zinc/91/43/78/562914378.db2.gz WTYAEMYGNSRASK-MRXNPFEDSA-N 0 3 536.467 6.090 1 0 KKAFHN CCN1CCN(c2ccc3nc(-c4n[nH]c5ccc(O[C@H](C)c6c(Cl)cncc6Cl)cc54)[nH]c3c2)CC1 ZINC000653825434 562914379 /nfs/dbraw/zinc/91/43/79/562914379.db2.gz WTYAEMYGNSRASK-MRXNPFEDSA-N 0 3 536.467 6.090 1 0 KKAFHN COc1ccc(-c2cc3cc(OCCCN(C)Cc4cccc(OC(=O)NCCCCCc5ccccc5)c4)ccc3oc2=O)cc1 ZINC000653830185 562914529 /nfs/dbraw/zinc/91/45/29/562914529.db2.gz AKOGQQINMRSZAR-UHFFFAOYSA-N 0 3 634.773 7.871 1 0 KKAFHN CN(CCCOc1ccc2c(c1)oc(=O)c1c2CCCC1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653835467 562914688 /nfs/dbraw/zinc/91/46/88/562914688.db2.gz SORZLAJXYYGEIQ-UHFFFAOYSA-N 0 3 582.741 7.074 1 0 KKAFHN O=c1c(=O)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc21 ZINC000653842825 562914965 /nfs/dbraw/zinc/91/49/65/562914965.db2.gz GXZAZBLHGWAEJB-IXCJQBJRSA-N 0 3 545.683 6.914 1 0 KKAFHN CCN1CCN(c2ccc3c(c2)ncnc3Nc2cc(CCc3c(Cl)c(OC)cc(OC)c3Cl)[nH]n2)CC1 ZINC000653843512 562914987 /nfs/dbraw/zinc/91/49/87/562914987.db2.gz PTTBIZQLFMRTIQ-UHFFFAOYSA-N 0 3 556.498 5.348 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(F)c(F)c3)nn2)cc1F ZINC000653857502 562915767 /nfs/dbraw/zinc/91/57/67/562915767.db2.gz LNUOFCQRQMKCCN-UHFFFAOYSA-N 0 3 647.658 5.302 1 0 KKAFHN O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916673 /nfs/dbraw/zinc/91/66/73/562916673.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 0 3 523.615 5.519 1 0 KKAFHN COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1 ZINC000044351713 565112470 /nfs/dbraw/zinc/11/24/70/565112470.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 0 3 610.751 6.459 1 0 biogenic,in-vivo KKAFHN CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592870 565148482 /nfs/dbraw/zinc/14/84/82/565148482.db2.gz MZORSKCJSNQVRN-BUUIHBBASA-N 0 3 671.787 5.672 1 0 biogenic,in-vitro KKAFHN CNCc1cc2c(c3c1OCCC3)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592867 565148506 /nfs/dbraw/zinc/14/85/06/565148506.db2.gz YIZYKYPTLDZGAU-NRHPYWKTSA-N 0 3 697.825 5.988 1 0 biogenic,in-vitro KKAFHN CCCCCC(CCCCC)CC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631553 565165448 /nfs/dbraw/zinc/16/54/48/565165448.db2.gz VOZHUHSTYDCKRC-VQIIKMDRSA-N 0 3 642.861 7.500 1 0 biogenic,in-vitro KKAFHN COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648347 565169494 /nfs/dbraw/zinc/16/94/94/565169494.db2.gz RZBRPBCSMGQTOK-PCCSJGSPSA-N 0 3 637.817 8.073 1 0 biogenic,in-vitro KKAFHN CCC[C@@]1(C)CC[C@@H]([C@H](CO)COc2cc([C@@H]3COc4cc5c6c(c4[C@H]3O)CCc3c(OC)cc(OCNCC)c(c3-6)[C@@H](O)N5)cc(OC)c2O)c2ccccc21 ZINC000085567388 291938256 /nfs/dbraw/zinc/93/82/56/291938256.db2.gz MOUICSVTBUCVOW-MKMZQZCVSA-N 0 3 780.959 7.370 1 0 biogenic,in-vitro KKAFHN CCNC1(Oc2cc(OC)c3c(c2)-c2ccc4c(c2CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO4)CCCCC1 ZINC000085567592 291939811 /nfs/dbraw/zinc/93/98/11/291939811.db2.gz XMIYLLRJVSFODN-IEWVHIKDSA-N 0 3 575.702 6.042 1 0 biogenic,in-vitro KKAFHN CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632126 291949432 /nfs/dbraw/zinc/94/94/32/291949432.db2.gz ZCOSJPPDLATKPK-HFVJNMDISA-N 0 3 799.985 7.243 1 0 biogenic,in-vitro KKAFHN COc1cc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1 ZINC000001631529 561678048 /nfs/dbraw/zinc/67/80/48/561678048.db2.gz HFUAORNGBSYNJS-QHCPKHFHSA-N 0 3 523.651 5.256 1 0 KKAFHN COc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC)ccc2-1 ZINC000003951497 561690472 /nfs/dbraw/zinc/69/04/72/561690472.db2.gz SUWVWDRFMWRSLT-GDLZYMKVSA-N 0 3 501.648 6.932 1 0 KKAFHN COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000003956113 561690964 /nfs/dbraw/zinc/69/09/64/561690964.db2.gz STMNILZOLHBBCX-UHFFFAOYSA-N 0 3 514.510 6.251 1 0 KKAFHN Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3F)CC4)cc12 ZINC000003979347 561692243 /nfs/dbraw/zinc/69/22/43/561692243.db2.gz BABFXZTUINNAIF-HXUWFJFHSA-N 0 3 606.580 5.190 1 0 KKAFHN COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc3ccccc3c(OC)c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 ZINC000003994160 561693685 /nfs/dbraw/zinc/69/36/85/561693685.db2.gz NSAUOOQLSGAVDH-YYZIUVEKSA-N 0 3 645.793 5.507 1 0 KKAFHN COC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000004391839 561694739 /nfs/dbraw/zinc/69/47/39/561694739.db2.gz NENBCHWHPLNENA-UHFFFAOYSA-N 0 3 515.631 6.156 1 0 KKAFHN CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(CN(C)Cc4cccc5ccccc54)c3)CC2)cc1 ZINC000011787104 561709946 /nfs/dbraw/zinc/70/99/46/561709946.db2.gz KUQXTLZPJNSFOB-UHFFFAOYSA-N 0 3 521.661 6.114 1 0 KKAFHN Fc1ccc2c(c1)nc1c(c2NCCCCCCCNc2c3ccc(F)cc3nc3c2CCCC3)CCCC1 ZINC000013473791 561714451 /nfs/dbraw/zinc/71/44/51/561714451.db2.gz MWRCDYACTUEODY-UHFFFAOYSA-N 0 3 528.691 8.293 1 0 KKAFHN O=C1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588390 561720994 /nfs/dbraw/zinc/72/09/94/561720994.db2.gz BTJBRCCYGKTBJW-SSEXGKCCSA-N 0 3 515.697 7.947 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000013643334 561722301 /nfs/dbraw/zinc/72/23/01/561722301.db2.gz WKMDLCMGKOYKFG-UHFFFAOYSA-N 0 3 502.417 5.795 1 0 KKAFHN CCOc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643392 561722307 /nfs/dbraw/zinc/72/23/07/561722307.db2.gz ZXKUYRLODOJGJS-UHFFFAOYSA-N 0 3 528.480 6.055 1 0 KKAFHN COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1C ZINC000013643396 561722327 /nfs/dbraw/zinc/72/23/27/561722327.db2.gz CRHWKPQYKCDTLK-UHFFFAOYSA-N 0 3 528.480 5.973 1 0 KKAFHN Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000013731193 561725177 /nfs/dbraw/zinc/72/51/77/561725177.db2.gz KHMNDCKIIWBMLG-UHFFFAOYSA-N 0 3 512.620 6.283 1 0 KKAFHN O=C1N(CCCCN2CCN(c3cn(-c4ccccc4)c4ccccc34)CC2)CSC12CCCCC2 ZINC000013759424 561727376 /nfs/dbraw/zinc/72/73/76/561727376.db2.gz RUKPUHCCONQDGO-UHFFFAOYSA-N 0 3 502.728 5.769 1 0 KKAFHN COc1ccc(CN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781685 561729490 /nfs/dbraw/zinc/72/94/90/561729490.db2.gz AENYUXFGNVUDBE-NDEPHWFRSA-N 0 3 528.759 6.101 1 0 KKAFHN CCOC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834321 561734226 /nfs/dbraw/zinc/73/42/26/561734226.db2.gz ZBWSILBHNXLULT-UHFFFAOYSA-N 0 3 529.658 6.546 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000014255610 561738614 /nfs/dbraw/zinc/73/86/14/561738614.db2.gz IVEDLBLTDDBGQI-VWLOTQADSA-N 0 3 577.810 7.580 1 0 KKAFHN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccc(OCCN3CCCCC3)cc2[nH]c1-c1ccccc1 ZINC000016052186 561753863 /nfs/dbraw/zinc/75/38/63/561753863.db2.gz FACGWONUFWMXPN-XMMPIXPASA-N 0 3 525.693 6.085 1 0 in-vitro KKAFHN CN(C)C[C@@H](O)COc1ccc(Nc2nccc(N(CCCC(F)(F)F)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945881 561743335 /nfs/dbraw/zinc/74/33/35/561743335.db2.gz HQGMRHNRHQZULO-LJQANCHMSA-N 0 3 558.432 6.309 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Br)cc2)c1 ZINC000014953463 561746595 /nfs/dbraw/zinc/74/65/95/561746595.db2.gz MNIIBNMCMGLNIR-UHFFFAOYSA-N 0 3 528.878 5.765 1 0 KKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Br)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000014953480 561746678 /nfs/dbraw/zinc/74/66/78/561746678.db2.gz ADLCQQQYJWNTLY-UHFFFAOYSA-N 0 3 563.323 6.419 1 0 KKAFHN COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655089 561757935 /nfs/dbraw/zinc/75/79/35/561757935.db2.gz ZDBKWMSLDSBPEF-FTJBHMTQSA-N 0 3 604.744 5.854 1 0 KKAFHN CCN(CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 ZINC000022452790 561759374 /nfs/dbraw/zinc/75/93/74/561759374.db2.gz RBLCKVWSBGCRJN-CZNDPXEESA-N 0 3 616.181 5.596 1 0 KKAFHN CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022931162 561760293 /nfs/dbraw/zinc/76/02/93/561760293.db2.gz AKVBPIBFLBXBAR-CPJSRVTESA-N 0 3 531.667 5.654 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(Cl)c4)C[C@H]23)CC1 ZINC000022935403 561760610 /nfs/dbraw/zinc/76/06/10/561760610.db2.gz FEOULTQKWJHGBV-AVPJRLCVSA-N 0 3 519.492 5.724 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(F)c4)C[C@H]23)CC1 ZINC000022935412 561760728 /nfs/dbraw/zinc/76/07/28/561760728.db2.gz QJCAUKKFSSKTHR-AVPJRLCVSA-N 0 3 503.037 5.210 1 0 KKAFHN Cc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 ZINC000023357772 561761548 /nfs/dbraw/zinc/76/15/48/561761548.db2.gz CGTDZZXDWFMLEF-UHFFFAOYSA-N 0 3 579.536 6.000 1 0 KKAFHN CN1CCN(CCNc2nc3cc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)ccc3[nH]2)CC1 ZINC000023359577 561762147 /nfs/dbraw/zinc/76/21/47/561762147.db2.gz UPGBUHOFLSJEEI-UHFFFAOYSA-N 0 3 571.579 5.816 1 0 KKAFHN CN1CCN(CCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH]2)CC1 ZINC000023359577 561762149 /nfs/dbraw/zinc/76/21/49/561762149.db2.gz UPGBUHOFLSJEEI-UHFFFAOYSA-N 0 3 571.579 5.816 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)c(C)c(=O)nc1SCc1ccc(F)cc1 ZINC000026010781 561765823 /nfs/dbraw/zinc/76/58/23/561765823.db2.gz WESWMZAUSGJQRC-UHFFFAOYSA-N 0 3 654.774 7.348 1 0 KKAFHN CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F ZINC000026248814 561773763 /nfs/dbraw/zinc/77/37/63/561773763.db2.gz UFYHSHPKWNIZHL-AHWVRZQESA-N 0 3 514.571 5.244 1 0 KKAFHN COc1ccc([C@@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026268187 561776639 /nfs/dbraw/zinc/77/66/39/561776639.db2.gz QFOQKQPDVPKVEX-WJOKGBTCSA-N 0 3 527.771 7.447 1 0 KKAFHN CN(C[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026281442 561778998 /nfs/dbraw/zinc/77/89/98/561778998.db2.gz FSVMBYSTSUIRJD-QHCPKHFHSA-N 0 3 551.518 6.219 1 0 KKAFHN CN(C[C@H](CCN1CC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026288517 561780255 /nfs/dbraw/zinc/78/02/55/561780255.db2.gz FPXIRXAXVYUYRD-XZOQPEGZSA-N 0 3 537.491 5.829 1 0 KKAFHN O=S(=O)([N-]c1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCCN1CCCC1)c1ccccc1 ZINC000026570209 561798044 /nfs/dbraw/zinc/79/80/44/561798044.db2.gz FZHNZLXDYSXLHB-UHFFFAOYSA-N 0 3 681.924 7.909 1 0 KKAFHN O[C@@H](Cn1cnc2c1ncnc2-c1ccc2ccccc2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576506 561800370 /nfs/dbraw/zinc/80/03/70/561800370.db2.gz CGTJDJAUSDYKFM-WJOKGBTCSA-N 0 3 554.698 5.415 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000026578685 561803712 /nfs/dbraw/zinc/80/37/12/561803712.db2.gz GOTHHOLKGACPTF-CCPAGJRDSA-N 0 3 570.586 6.786 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000026579512 561804828 /nfs/dbraw/zinc/80/48/28/561804828.db2.gz NJTRIIAWECXRRV-GWEXNCIJSA-N 0 3 569.598 6.323 1 0 KKAFHN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCCNCc2ccccc2OC)C1 ZINC000026649865 561808202 /nfs/dbraw/zinc/80/82/02/561808202.db2.gz UXCPRGUEANQDIA-DHUJRADRSA-N 0 3 670.899 6.648 1 0 KKAFHN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCN(C)Cc2cc(C)cc(C)c2)C1 ZINC000026664425 561810871 /nfs/dbraw/zinc/81/08/71/561810871.db2.gz QSSWXHSQMGICOW-KDXMTYKHSA-N 0 3 696.981 7.941 1 0 KKAFHN COc1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026664381 561810937 /nfs/dbraw/zinc/81/09/37/561810937.db2.gz QCACJCBWIPGWER-ACXULAKISA-N 0 3 637.673 8.018 1 0 KKAFHN Cc1nc2sccn2c(=O)c1CCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026668699 561811798 /nfs/dbraw/zinc/81/17/98/561811798.db2.gz BZFNKUVKRNSKNV-AOYPEHQESA-N 0 3 523.077 5.294 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(N)(=O)=O)cc2ccccc21 ZINC000026670370 561812179 /nfs/dbraw/zinc/81/21/79/561812179.db2.gz DGMLGHXEKBUEAR-RQWLYIOSSA-N 0 3 686.727 6.657 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000026716042 561814064 /nfs/dbraw/zinc/81/40/64/561814064.db2.gz LQNLNHOIPAAEJI-RWYGWLOXSA-N 0 3 705.831 6.413 1 0 KKAFHN COC(=O)c1ccc(Cn2c3ccccc3nc2C(=O)C2CCN(CC[C@@]3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 ZINC000026716817 561814348 /nfs/dbraw/zinc/81/43/48/561814348.db2.gz WYLMUYOKAITMJI-USYZEHPZSA-N 0 3 744.889 6.666 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4cccnc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026717692 561814453 /nfs/dbraw/zinc/81/44/53/561814453.db2.gz AHIOIWMCDDMDRL-VQJSHJPSSA-N 0 3 687.841 6.274 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(F)cc3F)C2)cc(OC)c1OC ZINC000026721411 561815364 /nfs/dbraw/zinc/81/53/64/561815364.db2.gz PVOZTVLKZYEWDB-WBCKFURZSA-N 0 3 740.823 7.297 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026730628 561816643 /nfs/dbraw/zinc/81/66/43/561816643.db2.gz KTXWLWWFYDYESF-YBLJPNGSSA-N 0 3 520.629 5.152 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@](C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026835871 561824346 /nfs/dbraw/zinc/82/43/46/561824346.db2.gz YQCQEQGDXWNQQT-MMEOBGCCSA-N 0 3 670.254 6.755 1 0 KKAFHN O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840409 561825561 /nfs/dbraw/zinc/82/55/61/561825561.db2.gz COQRQYDTULKQEN-NYSLFRRSSA-N 0 3 576.162 5.132 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 ZINC000026843063 561826156 /nfs/dbraw/zinc/82/61/56/561826156.db2.gz BQRVLHNYCPOZSY-ANHUGMMASA-N 0 3 621.782 5.928 1 0 KKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCCCc4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027095604 561837957 /nfs/dbraw/zinc/83/79/57/561837957.db2.gz LWPLIGWDKHLNEC-CVLIDWCKSA-N 0 3 532.684 5.879 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1 ZINC000027108567 561840891 /nfs/dbraw/zinc/84/08/91/561840891.db2.gz JKHJBBRCYYHTJO-UHFFFAOYSA-N 0 3 625.214 5.012 1 0 KKAFHN O=C(CN1CCCC[C@@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)CN4CCCC[C@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183551 561842131 /nfs/dbraw/zinc/84/21/31/561842131.db2.gz AKANNFYFILQRNV-HNRBIFIRSA-N 0 3 664.986 8.433 1 0 KKAFHN CCCN(Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000027321685 561852736 /nfs/dbraw/zinc/85/27/36/561852736.db2.gz ILEBQUQFCNCBBT-UHFFFAOYSA-N 0 3 541.275 7.361 1 0 KKAFHN CN(c1nc2ccccc2s1)C1CCN(CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000027430825 561859368 /nfs/dbraw/zinc/85/93/68/561859368.db2.gz JQMDACVTWFQSGE-SSEXGKCCSA-N 0 3 594.891 7.162 1 0 KKAFHN CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431945 561859500 /nfs/dbraw/zinc/85/95/00/561859500.db2.gz VLRKCLYSNVDLNZ-ONOMSOESSA-N 0 3 572.768 5.052 1 0 KKAFHN O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1I)CN2c1ccccc1)c1ccc(F)cc1 ZINC000027429368 561858958 /nfs/dbraw/zinc/85/89/58/561858958.db2.gz OJTMBEATTITROZ-UHFFFAOYSA-N 0 3 611.499 5.734 1 0 KKAFHN CN(C[C@H](c1cccc2c1OCO2)N1CCN(C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518122 561861992 /nfs/dbraw/zinc/86/19/92/561861992.db2.gz HHQOEPKLIPHRNY-RUZDIDTESA-N 0 3 599.616 6.145 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547769 561867215 /nfs/dbraw/zinc/86/72/15/561867215.db2.gz AOIKUDXNCODUKV-LJAQVGFWSA-N 0 3 540.655 5.188 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027549308 561867667 /nfs/dbraw/zinc/86/76/67/561867667.db2.gz XQPITIPYGHBCQW-MUUNZHRXSA-N 0 3 553.650 5.174 1 0 KKAFHN COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552346 561868354 /nfs/dbraw/zinc/86/83/54/561868354.db2.gz RUYAQBZRWRWQHR-GDLZYMKVSA-N 0 3 515.679 6.608 1 0 KKAFHN COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552346 561868355 /nfs/dbraw/zinc/86/83/55/561868355.db2.gz RUYAQBZRWRWQHR-GDLZYMKVSA-N 0 3 515.679 6.608 1 0 KKAFHN COc1ccc(CNCCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000027563363 561871334 /nfs/dbraw/zinc/87/13/34/561871334.db2.gz RQYPCGSQQGJMAC-XBEDDMDISA-N 0 3 564.811 7.732 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc2ccccc21 ZINC000027639155 561874955 /nfs/dbraw/zinc/87/49/55/561874955.db2.gz VAGYBZBVJPZWJP-UHFFFAOYSA-N 0 3 516.089 5.281 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cccnc3)cc1)CC2 ZINC000027655228 561877299 /nfs/dbraw/zinc/87/72/99/561877299.db2.gz PPJLCZGIFHSLJC-UHFFFAOYSA-N 0 3 536.632 5.204 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(Cl)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658008 561878412 /nfs/dbraw/zinc/87/84/12/561878412.db2.gz OXWXCFCCCCDJHA-UHFFFAOYSA-N 0 3 621.137 7.011 1 0 KKAFHN COc1ccc([C@@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736169 561881829 /nfs/dbraw/zinc/88/18/29/561881829.db2.gz AEKRAIGQUFARMX-UIOOFZCWSA-N 0 3 508.615 5.110 1 0 KKAFHN O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027863393 561887411 /nfs/dbraw/zinc/88/74/11/561887411.db2.gz YHSGEKJDOIPDMT-YTTGMZPUSA-N 0 3 605.805 5.351 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC4(CN(S(C)(=O)=O)c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027982329 561891841 /nfs/dbraw/zinc/89/18/41/561891841.db2.gz GVMXWDPIBITJQM-UMSFTDKQSA-N 0 3 704.673 5.548 1 0 KKAFHN COc1cc2c(cc1OC[C@@H](O)CN1CCCCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027987102 561892383 /nfs/dbraw/zinc/89/23/83/561892383.db2.gz TYILTPXOEDGRFG-MHZLTWQESA-N 0 3 555.719 7.302 1 0 KKAFHN COc1ccc(OCCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007009 561895829 /nfs/dbraw/zinc/89/58/29/561895829.db2.gz ZDDOKQGCSSPNEM-DHUJRADRSA-N 0 3 619.828 6.279 1 0 KKAFHN CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010415 561896279 /nfs/dbraw/zinc/89/62/79/561896279.db2.gz JDBQXMMPIGKZPM-DELQJEEYSA-N 0 3 582.833 6.812 1 0 KKAFHN CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010415 561896280 /nfs/dbraw/zinc/89/62/80/561896280.db2.gz JDBQXMMPIGKZPM-DELQJEEYSA-N 0 3 582.833 6.812 1 0 KKAFHN CCn1ncc(C(C)(C)c2ccccc2)c1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015167 561897166 /nfs/dbraw/zinc/89/71/66/561897166.db2.gz XRWNBFQERAJNQF-JNYUFQCESA-N 0 3 596.860 7.157 1 0 KKAFHN CCn1ncc(C(C)(C)c2ccccc2)c1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015167 561897169 /nfs/dbraw/zinc/89/71/69/561897169.db2.gz XRWNBFQERAJNQF-JNYUFQCESA-N 0 3 596.860 7.157 1 0 KKAFHN CC(=O)N1c2ccccc2S[C@H]1c1cc(Cl)ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028022478 561898842 /nfs/dbraw/zinc/89/88/42/561898842.db2.gz HZANWEFMNDFKST-HKBQPEDESA-N 0 3 549.136 7.251 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 ZINC000028090638 561899782 /nfs/dbraw/zinc/89/97/82/561899782.db2.gz ZQXTYFUVNQBWKC-NRFANRHFSA-N 0 3 517.522 6.284 1 0 KKAFHN CCCCN(CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1)CCc1ccc(OC)c(OC)c1 ZINC000028091716 561899915 /nfs/dbraw/zinc/89/99/15/561899915.db2.gz QHNUISCZXZMMPD-UHFFFAOYSA-N 0 3 592.802 7.026 1 0 KKAFHN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028093812 561900405 /nfs/dbraw/zinc/90/04/05/561900405.db2.gz QXBBLTVHGIMTJE-HPACOSHFSA-N 0 3 699.814 8.614 1 0 KKAFHN CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 ZINC000028094249 561900500 /nfs/dbraw/zinc/90/05/00/561900500.db2.gz JBWTUVNRRIWIJQ-UHFFFAOYSA-N 0 3 607.780 5.688 1 0 KKAFHN COc1ccc([C@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028113956 561903451 /nfs/dbraw/zinc/90/34/51/561903451.db2.gz XYDCBDBLPIJGQD-VWLOTQADSA-N 0 3 505.490 5.815 1 0 KKAFHN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028124725 561904795 /nfs/dbraw/zinc/90/47/95/561904795.db2.gz CZSUCMAQMLGPBX-IOWSJCHKSA-N 0 3 627.151 6.931 1 0 KKAFHN CN1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028109814 561902911 /nfs/dbraw/zinc/90/29/11/561902911.db2.gz AOIRKVVLTNNALR-UHFFFAOYSA-N 0 3 650.845 6.974 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028238324 561910130 /nfs/dbraw/zinc/91/01/30/561910130.db2.gz WYEUCDBCIHMNNC-FMIVXFBMSA-N 0 3 507.678 5.923 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028240484 561910332 /nfs/dbraw/zinc/91/03/32/561910332.db2.gz YGFGZUNKXKNZIL-WYMLVPIESA-N 0 3 547.621 6.325 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028241212 561910375 /nfs/dbraw/zinc/91/03/75/561910375.db2.gz XGQHYAKRJXFSKW-JLHYYAGUSA-N 0 3 547.621 6.325 1 0 KKAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3C)c2=O)c1F ZINC000028256956 561911650 /nfs/dbraw/zinc/91/16/50/561911650.db2.gz OCLDXLGPCMTSQA-LJQANCHMSA-N 0 3 537.582 5.119 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028231315 561909221 /nfs/dbraw/zinc/90/92/21/561909221.db2.gz UPFGSIPNBKPQPB-LXLYTFERSA-N 0 3 574.703 7.238 1 0 KKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028231315 561909223 /nfs/dbraw/zinc/90/92/23/561909223.db2.gz UPFGSIPNBKPQPB-LXLYTFERSA-N 0 3 574.703 7.238 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CC[C@@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236481 561909791 /nfs/dbraw/zinc/90/97/91/561909791.db2.gz DMEZRLWWNBWQGR-YJKLBIRBSA-N 0 3 526.668 5.459 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CC[C@@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236481 561909792 /nfs/dbraw/zinc/90/97/92/561909792.db2.gz DMEZRLWWNBWQGR-YJKLBIRBSA-N 0 3 526.668 5.459 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CC[C@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236476 561909798 /nfs/dbraw/zinc/90/97/98/561909798.db2.gz DMEZRLWWNBWQGR-XHDJHXHHSA-N 0 3 526.668 5.459 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CC[C@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236476 561909799 /nfs/dbraw/zinc/90/97/99/561909799.db2.gz DMEZRLWWNBWQGR-XHDJHXHHSA-N 0 3 526.668 5.459 1 0 KKAFHN CN(Cc1cccc(-c2ccc(Br)cc2)c1)[C@H]1C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N2C1 ZINC000028360537 561916757 /nfs/dbraw/zinc/91/67/57/561916757.db2.gz DZDHPEOBDDCTPU-ZEQRLZLVSA-N 0 3 559.291 6.464 1 0 KKAFHN O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 ZINC000028361941 561916941 /nfs/dbraw/zinc/91/69/41/561916941.db2.gz KOFUHFHSEDMKPW-MUUNZHRXSA-N 0 3 536.563 6.085 1 0 KKAFHN CC(=O)Nc1ccccc1C(=O)N(C)C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000028388313 561921679 /nfs/dbraw/zinc/92/16/79/561921679.db2.gz CLOCRYKOFDUJGD-DEOSSOPVSA-N 0 3 568.545 6.181 1 0 KKAFHN Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1F ZINC000028389958 561922082 /nfs/dbraw/zinc/92/20/82/561922082.db2.gz QZWKHADLURYDEY-VWLOTQADSA-N 0 3 562.617 5.583 1 0 KKAFHN Cc1c(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028392211 561922528 /nfs/dbraw/zinc/92/25/28/561922528.db2.gz IWZDQLHUDHMOMN-DEOSSOPVSA-N 0 3 598.597 6.154 1 0 KKAFHN COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@@H]3CNCCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028458220 561924431 /nfs/dbraw/zinc/92/44/31/561924431.db2.gz HZMVJLWFSIUIPU-LGGPFLRQSA-N 0 3 622.166 5.101 1 0 KKAFHN CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(CCN(CC)CC)c(I)c1 ZINC000028476171 561928147 /nfs/dbraw/zinc/92/81/47/561928147.db2.gz ZIRMTIREZHSURE-UHFFFAOYSA-N 0 3 629.320 7.100 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000028522915 561929706 /nfs/dbraw/zinc/92/97/06/561929706.db2.gz OEWDGPGUVMWJGG-HKBQPEDESA-N 0 3 609.773 6.814 1 0 KKAFHN COc1ccc([C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523052 561929856 /nfs/dbraw/zinc/92/98/56/561929856.db2.gz JOZOHPBCAIWMKA-RUZDIDTESA-N 0 3 504.597 5.527 1 0 KKAFHN CC/C=C/CC/C=C/c1csc(Cc2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4ccccc4)cc3)cc2)n1 ZINC000028523591 561930264 /nfs/dbraw/zinc/93/02/64/561930264.db2.gz JRTHOLUXAWUFPQ-KIVUXADTSA-N 0 3 601.838 7.160 1 0 KKAFHN C[C@@H]1CN([C@H](c2ccc3c(c2)CN(CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000028569154 561937785 /nfs/dbraw/zinc/93/77/85/561937785.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N 0 3 501.646 5.300 1 0 KKAFHN C[C@@H]1CN([C@H](c2ccc3c(c2)CN(CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028569154 561937787 /nfs/dbraw/zinc/93/77/87/561937787.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N 0 3 501.646 5.300 1 0 KKAFHN Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028569609 561938312 /nfs/dbraw/zinc/93/83/12/561938312.db2.gz RYWGNULCGCOYJE-UHFFFAOYSA-N 0 3 502.537 5.357 1 0 KKAFHN COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000028636483 561941215 /nfs/dbraw/zinc/94/12/15/561941215.db2.gz FOSNPZWBNIEQJL-GDLZYMKVSA-N 0 3 591.716 5.034 1 0 KKAFHN COc1ccc(CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)CNCCC(c2ccccc2)c2ccccc2)cc1 ZINC000028640239 561942729 /nfs/dbraw/zinc/94/27/29/561942729.db2.gz IIIAZRVKEIVSHC-UHFFFAOYSA-N 0 3 653.867 7.217 1 0 KKAFHN O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000028643241 561943998 /nfs/dbraw/zinc/94/39/98/561943998.db2.gz DRRWMFNQXRLTHS-VSGBNLITSA-N 0 3 619.681 5.880 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(C(C)(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646406 561945393 /nfs/dbraw/zinc/94/53/93/561945393.db2.gz YJFGVOGMLJKANE-DIPNUNPCSA-N 0 3 584.868 7.108 1 0 KKAFHN CN1CCN([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccccc2Br)CC1 ZINC000028646201 561944950 /nfs/dbraw/zinc/94/49/50/561944950.db2.gz DHBLNDNHOSFWJG-WJOKGBTCSA-N 0 3 549.601 5.531 1 0 KKAFHN CN(C)S(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028710026 561950868 /nfs/dbraw/zinc/95/08/68/561950868.db2.gz WGUNFTKBYUCLEL-UHFFFAOYSA-N 0 3 546.689 6.120 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-n5ccnc5C)cc4)CC3)C2=O)c1 ZINC000028704487 561948569 /nfs/dbraw/zinc/94/85/69/561948569.db2.gz GODOQGRZKLKQSO-UHFFFAOYSA-N 0 3 553.638 5.332 1 0 KKAFHN O=C1N(CCc2ccccc2)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704479 561948594 /nfs/dbraw/zinc/94/85/94/561948594.db2.gz GYEHSPMYPANVHO-UHFFFAOYSA-N 0 3 537.639 5.053 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000028713461 561953997 /nfs/dbraw/zinc/95/39/97/561953997.db2.gz VZVJJJKCKDQXNN-ZJIIDKGLSA-N 0 3 738.329 6.068 1 0 KKAFHN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1cccnc1 ZINC000028714101 561954718 /nfs/dbraw/zinc/95/47/18/561954718.db2.gz LADGDOYZRPTNLJ-WWEBLFKJSA-N 0 3 587.853 5.911 1 0 KKAFHN CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2C[C@@H](C)N(Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1 ZINC000028762237 561958455 /nfs/dbraw/zinc/95/84/55/561958455.db2.gz SZFYNVCLGPAKLJ-OXYPMYLPSA-N 0 3 513.682 5.582 1 0 KKAFHN CC(=O)C1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000028765290 561959532 /nfs/dbraw/zinc/95/95/32/561959532.db2.gz NCJWLSWXMPGOIS-MGBGTMOVSA-N 0 3 577.596 7.570 1 0 KKAFHN O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028816535 561964239 /nfs/dbraw/zinc/96/42/39/561964239.db2.gz ZIKGOADCTDQKTA-IAPPQJPRSA-N 0 3 596.140 5.990 1 0 KKAFHN Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](CC3CC[NH+](C(C)(C)C)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000028816859 561964394 /nfs/dbraw/zinc/96/43/94/561964394.db2.gz BUDIJDXJWOVXRJ-RUZDIDTESA-N 0 3 553.725 5.013 1 0 KKAFHN CC(=O)c1ccccc1Nc1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCCC1 ZINC000028823399 561967981 /nfs/dbraw/zinc/96/79/81/561967981.db2.gz IJVBZPDXLJKLHM-UHFFFAOYSA-N 0 3 559.799 7.393 1 0 KKAFHN CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827054 561971541 /nfs/dbraw/zinc/97/15/41/561971541.db2.gz BDKKUJXOTBQXCJ-VBEDXHCZSA-N 0 3 578.606 5.669 1 0 KKAFHN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cccc(OCCN3CCCCC3)c2[nH]c1-c1ccccc1 ZINC000028892297 561978306 /nfs/dbraw/zinc/97/83/06/561978306.db2.gz KQDKIAODLBHRJT-XMMPIXPASA-N 0 3 525.693 6.085 1 0 KKAFHN O=C(N[C@@H](COCC1CCN(c2ccncc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957802 561983454 /nfs/dbraw/zinc/98/34/54/561983454.db2.gz DPZMOLHCLHNTCX-MHZLTWQESA-N 0 3 523.464 6.274 1 0 KKAFHN CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000028968381 561985525 /nfs/dbraw/zinc/98/55/25/561985525.db2.gz FDKPPPRYYPDLJW-GHJOZJBHSA-N 0 3 653.823 6.881 1 0 KKAFHN Nc1ccccc1NC(=O)c1cc2ccc([C@@H](NCCc3ccccc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976301 561986745 /nfs/dbraw/zinc/98/67/45/561986745.db2.gz VCMASJJHEZFVSU-SSEXGKCCSA-N 0 3 534.685 5.926 1 0 KKAFHN COc1ccc(NC(=O)[C@@H](NCCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976246 561986747 /nfs/dbraw/zinc/98/67/47/561986747.db2.gz ORFHNVHFZNOITK-PMERELPUSA-N 0 3 550.684 6.257 1 0 KKAFHN COc1ccc(NC(=O)[C@H](NC2CCCCC2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976241 561986769 /nfs/dbraw/zinc/98/67/69/561986769.db2.gz AAUVEKTZXPAQPR-MUUNZHRXSA-N 0 3 528.678 6.347 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C[S@@](=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039292 561989664 /nfs/dbraw/zinc/98/96/64/561989664.db2.gz TVUMGACZYNEAHR-OIIUVLMBSA-N 0 3 556.094 5.216 1 0 KKAFHN CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029043544 561992089 /nfs/dbraw/zinc/99/20/89/561992089.db2.gz AZYLFDYQQJPDQC-XQFUHLNNSA-N 0 3 593.039 7.454 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ccncc4)c3=O)CC2)C(C)C)c1 ZINC000029062200 561995886 /nfs/dbraw/zinc/99/58/86/561995886.db2.gz AYYSGMZEWUNOSV-PMERELPUSA-N 0 3 528.697 5.694 1 0 KKAFHN Nc1nnc(-c2cnc(-c3ccc(CN4CCC(n5ncc6c5ncnc6N)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125657 561997828 /nfs/dbraw/zinc/99/78/28/561997828.db2.gz UGUQLQRPEDJAPE-UHFFFAOYSA-N 0 3 560.691 5.075 1 0 KKAFHN Nc1nnc(-c2cnc(-c3ccc(CN4CCC(n5cc(-c6ccccn6)cn5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125703 561997912 /nfs/dbraw/zinc/99/79/12/561997912.db2.gz FHJUGOOSLGTUSW-UHFFFAOYSA-N 0 3 570.726 6.612 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126964 561999267 /nfs/dbraw/zinc/99/92/67/561999267.db2.gz IZTNHWMAUPLTML-QJJDOSOUSA-N 0 3 510.037 5.676 1 0 KKAFHN CC(C)N(CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2ccncc2)CC1 ZINC000029132423 562003406 /nfs/dbraw/zinc/00/34/06/562003406.db2.gz OFIRSLWDIXXKGW-UHFFFAOYSA-N 0 3 514.091 5.206 1 0 KKAFHN CN(CCCN(C)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000029204890 562005031 /nfs/dbraw/zinc/00/50/31/562005031.db2.gz KHSMGYQVKLZDEX-UHFFFAOYSA-N 0 3 628.685 5.631 1 0 KKAFHN Cc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029341465 562015273 /nfs/dbraw/zinc/01/52/73/562015273.db2.gz HOEDNINDIRCVBG-QHCPKHFHSA-N 0 3 502.467 6.139 1 0 KKAFHN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000029345916 562016257 /nfs/dbraw/zinc/01/62/57/562016257.db2.gz BHGNIOZAEHGIME-AUXIDLRRSA-N 0 3 700.969 5.158 1 0 KKAFHN CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCCCCCCCCCOc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1 ZINC000029410675 562021545 /nfs/dbraw/zinc/02/15/45/562021545.db2.gz JIHOYVBNPOZOGR-UHFFFAOYSA-N 0 3 632.858 5.416 1 0 KKAFHN CC(=O)N[C@H](CC(C)C)C(=O)N(CCCCCO)C1(C(=O)NC=Cc2c[nH]c3cc(OCc4ccccc4)ncc23)CCN(Cc2ccccc2)CC1 ZINC000029415401 562022801 /nfs/dbraw/zinc/02/28/01/562022801.db2.gz SQSVOFDMRHXEJA-WFTXCDTGSA-N 0 3 722.931 5.806 1 0 KKAFHN CC(=O)OCN1CN(c2ccccc2)C2(CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029481861 562027486 /nfs/dbraw/zinc/02/74/86/562027486.db2.gz UOFBAEFTNCFWSZ-UHFFFAOYSA-N 0 3 548.634 5.155 1 0 KKAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000029466601 562024448 /nfs/dbraw/zinc/02/44/48/562024448.db2.gz NOFBGGXDUUYWHJ-UHFFFAOYSA-N 0 3 667.295 5.278 1 0 KKAFHN CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029468218 562024937 /nfs/dbraw/zinc/02/49/37/562024937.db2.gz VQDPEMCLNKQMGN-UHFFFAOYSA-N 0 3 517.095 6.815 1 0 KKAFHN CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029469707 562025319 /nfs/dbraw/zinc/02/53/19/562025319.db2.gz GZPUBUNYFARCTO-UHFFFAOYSA-N 0 3 557.160 7.738 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CC1CCCCC1 ZINC000029479634 562027057 /nfs/dbraw/zinc/02/70/57/562027057.db2.gz WYBYOEYFMXNFFD-CONSDPRKSA-N 0 3 549.800 6.134 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)N(C)C1CCCCC1 ZINC000029487545 562028733 /nfs/dbraw/zinc/02/87/33/562028733.db2.gz KIJRQKDWYMGQST-ACHIHNKUSA-N 0 3 547.784 5.985 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(C[C@H](COCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc21 ZINC000029489962 562029178 /nfs/dbraw/zinc/02/91/78/562029178.db2.gz ICAIEGHMXOMWIC-RUZDIDTESA-N 0 3 588.601 5.482 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029554681 562031823 /nfs/dbraw/zinc/03/18/23/562031823.db2.gz SILLYOVKLCANFF-PMERELPUSA-N 0 3 582.719 5.311 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@]2(SC)Sc3ccccc3N(C)C2=O)c1 ZINC000029556316 562032236 /nfs/dbraw/zinc/03/22/36/562032236.db2.gz SPFGPGBVMIWKQQ-SSEXGKCCSA-N 0 3 582.744 5.488 1 0 KKAFHN O=C(COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1)N1CCCCC1 ZINC000029565801 562034348 /nfs/dbraw/zinc/03/43/48/562034348.db2.gz MPCKVVRSQWOLIU-UHFFFAOYSA-N 0 3 569.725 5.734 1 0 KKAFHN COc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc(OC)c1OC ZINC000029568617 562034900 /nfs/dbraw/zinc/03/49/00/562034900.db2.gz DTPDYJYLYBXNOF-UHFFFAOYSA-N 0 3 500.643 5.229 1 0 KKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000029569094 562035187 /nfs/dbraw/zinc/03/51/87/562035187.db2.gz ZTKZFZLVPHFIRG-UHFFFAOYSA-N 0 3 534.679 6.922 1 0 KKAFHN CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755080 562037592 /nfs/dbraw/zinc/03/75/92/562037592.db2.gz CEWVFZWVXADRCT-XZOQPEGZSA-N 0 3 513.788 8.197 1 0 KKAFHN CCCCCc1ccc(C(=O)N(CCN2CCC(Cc3ccccc3)CC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802988 562042380 /nfs/dbraw/zinc/04/23/80/562042380.db2.gz YNCPOSDOEJVCPT-UHFFFAOYSA-N 0 3 602.819 8.412 1 0 KKAFHN C[C@H]1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804125 562042916 /nfs/dbraw/zinc/04/29/16/562042916.db2.gz UIHDKMQRDLGFQA-JTSKRJEESA-N 0 3 501.515 5.546 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160548 562048531 /nfs/dbraw/zinc/04/85/31/562048531.db2.gz VTGXHIKOJDKECN-VTIYRKAUSA-N 0 3 610.843 7.833 1 0 KKAFHN CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3CN2C)CC1 ZINC000036284684 562053377 /nfs/dbraw/zinc/05/33/77/562053377.db2.gz CXNCKVKDTNIURI-SXLOSVNLSA-N 0 3 634.240 5.311 1 0 KKAFHN COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1OC ZINC000036285540 562054187 /nfs/dbraw/zinc/05/41/87/562054187.db2.gz JKIZJDWIBUAMCN-QFIPXVFZSA-N 0 3 507.597 5.050 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000036285508 562054220 /nfs/dbraw/zinc/05/42/20/562054220.db2.gz VMXQPMPZXHOUFJ-QFIPXVFZSA-N 0 3 516.435 6.340 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000036285653 562054316 /nfs/dbraw/zinc/05/43/16/562054316.db2.gz UVGWIQHCENMBME-FQEVSTJZSA-N 0 3 518.407 5.786 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CSc2ccc(Cl)cc2Cl)CC1 ZINC000036285670 562054360 /nfs/dbraw/zinc/05/43/60/562054360.db2.gz CCVRJEFLLMNIBG-FQEVSTJZSA-N 0 3 534.475 6.499 1 0 KKAFHN Cc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285934 562054520 /nfs/dbraw/zinc/05/45/20/562054520.db2.gz XXXMEESVGWHJSN-CYFREDJKSA-N 0 3 510.044 6.241 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1 ZINC000036285836 562054523 /nfs/dbraw/zinc/05/45/23/562054523.db2.gz LEEZXXVWCIZSBN-HXOBKFHXSA-N 0 3 514.007 6.071 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccc(C(F)(F)F)cc5)s4)n[nH]c2-3)CC1 ZINC000036338841 562057330 /nfs/dbraw/zinc/05/73/30/562057330.db2.gz ISGHDAOLUCVKHI-UHFFFAOYSA-N 0 3 566.653 5.797 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000036338841 562057331 /nfs/dbraw/zinc/05/73/31/562057331.db2.gz ISGHDAOLUCVKHI-UHFFFAOYSA-N 0 3 566.653 5.797 1 0 KKAFHN Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1 ZINC000036338871 562057601 /nfs/dbraw/zinc/05/76/01/562057601.db2.gz DNPMSTITUCICNO-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1ccccc1NC(=O)NCc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1 ZINC000036338871 562057604 /nfs/dbraw/zinc/05/76/04/562057604.db2.gz DNPMSTITUCICNO-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000036351498 562058459 /nfs/dbraw/zinc/05/84/59/562058459.db2.gz PVIPSFPLLZFEEP-VMPREFPWSA-N 0 3 593.143 6.177 1 0 KKAFHN COC(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351541 562058554 /nfs/dbraw/zinc/05/85/54/562058554.db2.gz VTHCMTQNHHNLEM-PIRIWWGTSA-N 0 3 576.635 5.223 1 0 KKAFHN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCCCC4)cc3)n2)c(OC)c1 ZINC000036758582 562061486 /nfs/dbraw/zinc/06/14/86/562061486.db2.gz DPLQMNPQGDUUNM-UHFFFAOYSA-N 0 3 597.716 7.056 1 0 KKAFHN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000036774669 562061605 /nfs/dbraw/zinc/06/16/05/562061605.db2.gz MANLQMSVKREPRE-NHILRDKKSA-N 0 3 725.983 5.359 1 0 KKAFHN O=C(NCCN1CCCC1)c1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2c1 ZINC000038149702 562066215 /nfs/dbraw/zinc/06/62/15/562066215.db2.gz CVMUMFKQGWSATO-UHFFFAOYSA-N 0 3 529.065 5.746 1 0 KKAFHN CC(C)CCN1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150645 562066448 /nfs/dbraw/zinc/06/64/48/562066448.db2.gz GBYYUEIXEOYDDW-SVBPBHIXSA-N 0 3 522.686 5.175 1 0 KKAFHN CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392925 562073870 /nfs/dbraw/zinc/07/38/70/562073870.db2.gz JRDUTWSFVKMJDC-HRFSGMKKSA-N 0 3 530.540 6.356 1 0 KKAFHN O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 ZINC000040566767 562077990 /nfs/dbraw/zinc/07/79/90/562077990.db2.gz NYOBYAUHHCOTRD-UHFFFAOYSA-N 0 3 515.359 6.187 1 0 KKAFHN COc1ccc(C(OCCNCc2ccc(OC)c(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000040893341 562082919 /nfs/dbraw/zinc/08/29/19/562082919.db2.gz ABXMUSSRHPUIJT-UHFFFAOYSA-N 0 3 529.633 5.525 1 0 KKAFHN CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN1CCCCC1 ZINC000040919080 562084424 /nfs/dbraw/zinc/08/44/24/562084424.db2.gz YPXKZNDCBYWMOG-UHFFFAOYSA-N 0 3 502.446 5.681 1 0 KKAFHN CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C(C)C)CC1 ZINC000040936263 562085091 /nfs/dbraw/zinc/08/50/91/562085091.db2.gz OBHBVEPTCAFAQQ-UHFFFAOYSA-N 0 3 502.446 5.313 1 0 KKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCCCC1 ZINC000040951045 562085974 /nfs/dbraw/zinc/08/59/74/562085974.db2.gz MQIGEJLZKVQZSL-UPVQGACJSA-N 0 3 526.690 6.012 1 0 KKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000043022224 562645006 /nfs/dbraw/zinc/64/50/06/562645006.db2.gz CHRSFJCSCLETLV-AREMUKBSSA-N 0 3 514.567 6.146 1 0 KKAFHN O=C1c2cccc3c(NC4CCN(Cc5ccccc5)CC4)ccc(c32)C(=O)N1c1cccc(Br)c1 ZINC000043070221 562645506 /nfs/dbraw/zinc/64/55/06/562645506.db2.gz KGQNAINAEOIJHF-UHFFFAOYSA-N 0 3 540.461 6.479 1 0 KKAFHN CCCC[C@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1 ZINC000043071036 562645574 /nfs/dbraw/zinc/64/55/74/562645574.db2.gz ORCCEUNUHQADKD-SANMLTNESA-N 0 3 528.619 5.834 1 0 KKAFHN O=C(N[C@H](Cc1cnccn1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043080767 562645871 /nfs/dbraw/zinc/64/58/71/562645871.db2.gz SCNLJQQVOVIBKB-MUUNZHRXSA-N 0 3 548.613 5.534 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)C1c2ccccc2Oc2ccccc21 ZINC000043532201 562649297 /nfs/dbraw/zinc/64/92/97/562649297.db2.gz WCIYEZZYWXTQFQ-UHFFFAOYSA-N 0 3 570.137 5.752 1 0 KKAFHN O=C(CCCc1ccccc1)O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044305082 562653364 /nfs/dbraw/zinc/65/33/64/562653364.db2.gz QQNVIMGZEUSMBJ-QNGWXLTQSA-N 0 3 611.777 7.808 1 0 KKAFHN CCc1coc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044305790 562653540 /nfs/dbraw/zinc/65/35/40/562653540.db2.gz LXQLUGGTPKXSBK-LMSSTIIKSA-N 0 3 593.646 5.633 1 0 KKAFHN CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044305959 562653609 /nfs/dbraw/zinc/65/36/09/562653609.db2.gz GPRKGOQVWIWLPT-UHFFFAOYSA-N 0 3 637.796 5.253 1 0 KKAFHN CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044352439 562655148 /nfs/dbraw/zinc/65/51/48/562655148.db2.gz UOMLSLXBNUUSBV-DFHRPNOPSA-N 0 3 543.674 5.997 1 0 KKAFHN COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000044359632 562655506 /nfs/dbraw/zinc/65/55/06/562655506.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 0 3 608.735 6.859 1 0 KKAFHN Cn1nccc1C(=O)NCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045167777 562658082 /nfs/dbraw/zinc/65/80/82/562658082.db2.gz VBTDCXMICSSXJK-UHFFFAOYSA-N 0 3 518.543 5.169 1 0 KKAFHN CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045168549 562658124 /nfs/dbraw/zinc/65/81/24/562658124.db2.gz HFFFPBHPXGOZNK-HXUWFJFHSA-N 0 3 500.630 6.983 1 0 KKAFHN CC(=O)c1ccc(-c2cccc3c(CC(=O)Nc4ccc5nccc(N6CCN(C)CC6)c5c4)cccc23)cc1 ZINC000045189585 562658397 /nfs/dbraw/zinc/65/83/97/562658397.db2.gz HIDLPRJLYWYNFJ-UHFFFAOYSA-N 0 3 528.656 6.191 1 0 KKAFHN CCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000045193539 562658787 /nfs/dbraw/zinc/65/87/87/562658787.db2.gz KTZMCFMSHJJQGG-UHFFFAOYSA-N 0 3 507.009 5.816 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000045194793 562658808 /nfs/dbraw/zinc/65/88/08/562658808.db2.gz VXZKPXUOCABTCN-JLHYYAGUSA-N 0 3 503.474 5.533 1 0 KKAFHN CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1ccnc(NCCN2CCCC2)n1 ZINC000045195869 562658913 /nfs/dbraw/zinc/65/89/13/562658913.db2.gz RBUBZSJGBHCQJX-UHFFFAOYSA-N 0 3 517.531 5.554 1 0 KKAFHN Cc1cc(C)c(NC(=O)N[C@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000045202227 562659098 /nfs/dbraw/zinc/65/90/98/562659098.db2.gz SVNBCXOGKMCLJS-LBQODKDLSA-N 0 3 531.528 6.114 1 0 KKAFHN O=C(NCCN1CCCCC1)c1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000045210390 562659280 /nfs/dbraw/zinc/65/92/80/562659280.db2.gz RWAFZBXVUHMROO-UHFFFAOYSA-N 0 3 508.626 5.972 1 0 KKAFHN CCCCCN1CCCC[C@H](NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000045210381 562659291 /nfs/dbraw/zinc/65/92/91/562659291.db2.gz LAADWCKHEFLRPP-QFIPXVFZSA-N 0 3 511.610 5.281 1 0 KKAFHN O=C(Nc1cccc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000045229943 562659585 /nfs/dbraw/zinc/65/95/85/562659585.db2.gz UMVQRVFLSLPAEH-BHDDXSALSA-N 0 3 521.464 5.419 1 0 KKAFHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc54)cc3)CC2)cc1 ZINC000045259514 562659965 /nfs/dbraw/zinc/65/99/65/562659965.db2.gz BAHPJNWHTFCKKZ-UHFFFAOYSA-N 0 3 522.697 5.775 1 0 KKAFHN O=C(NC[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045301831 562660530 /nfs/dbraw/zinc/66/05/30/562660530.db2.gz FORAXJIIDUEKDC-SFHVURJKSA-N 0 3 502.558 5.457 1 0 KKAFHN Cn1nccc1C(=O)NCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045302093 562660624 /nfs/dbraw/zinc/66/06/24/562660624.db2.gz VYCNYARMVFQFEM-UHFFFAOYSA-N 0 3 518.543 5.169 1 0 KKAFHN Cn1nccc1C(=O)NCCNCc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045339077 562661528 /nfs/dbraw/zinc/66/15/28/562661528.db2.gz GDOYTQUYGSCDPA-UHFFFAOYSA-N 0 3 518.543 5.169 1 0 KKAFHN CCCCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000045495213 562662639 /nfs/dbraw/zinc/66/26/39/562662639.db2.gz VVOQENFAZBJUSR-NDEPHWFRSA-N 0 3 502.703 6.439 1 0 KKAFHN O=C(NCc1ccccc1)N[C@H](CCCN1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307326 562662953 /nfs/dbraw/zinc/66/29/53/562662953.db2.gz BZHDEWLIFSTTHO-MUUNZHRXSA-N 0 3 560.953 7.511 1 0 KKAFHN COc1ccc(CN(C)CCCOc2ccc(NC(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000048307331 562662962 /nfs/dbraw/zinc/66/29/62/562662962.db2.gz BLKQMXAHAGKFHQ-ODLFYWEKSA-N 0 3 516.682 6.554 1 0 KKAFHN COc1ccc(CC(=O)N[C@H](CCN2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000048307394 562663042 /nfs/dbraw/zinc/66/30/42/562663042.db2.gz BITCAVWAYASRBK-HHHXNRCGSA-N 0 3 646.637 5.614 1 0 KKAFHN CCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016929 562663267 /nfs/dbraw/zinc/66/32/67/562663267.db2.gz XRWCFFSMTYOSBA-MHZLTWQESA-N 0 3 509.735 5.944 1 0 KKAFHN CSCCCC(=O)SCC[C@H](CCCCC(=O)OCCN(C)C)SC(=O)CCCSC ZINC000049071043 562664160 /nfs/dbraw/zinc/66/41/60/562664160.db2.gz NEDNKFUXJWYOAB-IBGZPJMESA-N 0 3 511.841 5.216 1 0 KKAFHN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc(O)c4)c(-c4ccncc4)nn32)c(Cl)c1 ZINC000049089363 562664423 /nfs/dbraw/zinc/66/44/23/562664423.db2.gz DODFKUBADJWIEL-VXKWHMMOSA-N 0 3 509.013 5.377 1 0 KKAFHN O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ZINC000049600164 562665028 /nfs/dbraw/zinc/66/50/28/562665028.db2.gz DHBZKQDTEBHPAI-UHFFFAOYSA-N 0 3 684.618 8.567 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CCC[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604921 562665053 /nfs/dbraw/zinc/66/50/53/562665053.db2.gz LKUKAZIICBMYIO-GDLZYMKVSA-N 0 3 688.540 9.190 1 0 KKAFHN COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC(Cc2cc3ccccc3[nH]2)CC1 ZINC000049605137 562665389 /nfs/dbraw/zinc/66/53/89/562665389.db2.gz HMSRUQHZTOZWDW-JLHYYAGUSA-N 0 3 544.095 6.815 1 0 KKAFHN COc1ccc(CN(C)CCCSc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC ZINC000049605192 562665445 /nfs/dbraw/zinc/66/54/45/562665445.db2.gz QPSPCDMHEHVXON-UHFFFAOYSA-N 0 3 593.749 7.079 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)cc1)CC2 ZINC000049605268 562665645 /nfs/dbraw/zinc/66/56/45/562665645.db2.gz LBRRZPAUTMLDFX-UHFFFAOYSA-N 0 3 539.554 5.937 1 0 KKAFHN CCc1ccc(CN(CCCOc2cccc(CC(=O)NCc3c[nH]cn3)c2)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000049605293 562665655 /nfs/dbraw/zinc/66/56/55/562665655.db2.gz MWXSIFNYNRWNAL-UHFFFAOYSA-N 0 3 562.718 5.488 1 0 KKAFHN Cn1nc(-c2ccc(S(=O)(=O)[N-]C3CCC(C[NH+]4CCC(c5c[nH]c6ccccc56)CC4)CC3)s2)cc1C(F)(F)F ZINC000049605379 562665778 /nfs/dbraw/zinc/66/57/78/562665778.db2.gz JQMSAGHHYQYKNV-UHFFFAOYSA-N 0 3 605.752 6.365 1 0 KKAFHN CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000049605474 562665911 /nfs/dbraw/zinc/66/59/11/562665911.db2.gz VOXGIJYTPWQGSV-KXQOOQHDSA-N 0 3 669.847 6.351 1 0 KKAFHN C[C@@H](Cc1ccc(NC(=O)c2ccc(CNCc3ccccc3)cc2)cc1)N(CCc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC000049605599 562666055 /nfs/dbraw/zinc/66/60/55/562666055.db2.gz HYHQHAJWOYYCOO-MHZLTWQESA-N 0 3 612.214 8.293 1 0 KKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000049605700 562666260 /nfs/dbraw/zinc/66/62/60/562666260.db2.gz WKPLRWGUWPODBF-UHFFFAOYSA-N 0 3 558.629 8.539 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CCCn2c3ccccc3c(=O)nc2CCc2cccc(F)c2F)CC1 ZINC000049605801 562666389 /nfs/dbraw/zinc/66/63/89/562666389.db2.gz OABUJVPSSAYIGK-UHFFFAOYSA-N 0 3 730.822 8.828 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049613921 562666481 /nfs/dbraw/zinc/66/64/81/562666481.db2.gz OTLNOYQUHXVXIV-WEVVVXLNSA-N 0 3 541.882 5.935 1 0 KKAFHN Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(CNCCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)C1CC1 ZINC000049613954 562666548 /nfs/dbraw/zinc/66/65/48/562666548.db2.gz ZZDSODPJVFBRKF-UHFFFAOYSA-N 0 3 620.779 5.178 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)c1 ZINC000049615507 562666669 /nfs/dbraw/zinc/66/66/69/562666669.db2.gz MAFUFEDZAYCCOR-WZTRXQKXSA-N 0 3 647.694 5.298 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049615748 562666682 /nfs/dbraw/zinc/66/66/82/562666682.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 0 3 650.772 7.079 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049615449 562666690 /nfs/dbraw/zinc/66/66/90/562666690.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 0 3 726.870 8.681 1 0 KKAFHN CCc1cn(CCCOC)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc3cccc(C(F)(F)F)c3)cc12 ZINC000049626121 562667031 /nfs/dbraw/zinc/66/70/31/562667031.db2.gz YAYSHNZMZRKJFW-IGYGKHONSA-N 0 3 581.679 5.751 1 0 KKAFHN CN1CCN(CCCN(Cc2ccc(-c3cccc(CNCc4ccc5c(c4)OCO5)c3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000049626254 562667112 /nfs/dbraw/zinc/66/71/12/562667112.db2.gz UINYBERBEUKYIV-UHFFFAOYSA-N 0 3 605.783 6.044 1 0 KKAFHN CCN1CCC(N(CCCCCCc2ccc(C(F)(F)F)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626326 562667158 /nfs/dbraw/zinc/66/71/58/562667158.db2.gz WOSLBIAYRVKSMD-UHFFFAOYSA-N 0 3 681.790 8.200 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(CCCCc2ccccc2)CC1 ZINC000049639179 562667645 /nfs/dbraw/zinc/66/76/45/562667645.db2.gz UFEXFLXTGHJLNM-UHFFFAOYSA-N 0 3 536.514 6.163 1 0 KKAFHN CN(C)CCN1C(=O)c2cccc3c(N4CCN(C(=O)c5ccc(N6CCN(CC=C(c7ccccc7)c7ccccc7)CC6)cc5)CC4)ccc(c32)C1=O ZINC000049694872 562669887 /nfs/dbraw/zinc/66/98/87/562669887.db2.gz YOUYJAYFHLBEAA-UHFFFAOYSA-N 0 3 732.929 6.214 1 0 KKAFHN Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc(-c2ccccc2)cs1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049709606 562671358 /nfs/dbraw/zinc/67/13/58/562671358.db2.gz VJUMZYLREUMKCS-QBBNIFMNSA-N 0 3 617.856 5.927 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)CC1 ZINC000049710842 562671849 /nfs/dbraw/zinc/67/18/49/562671849.db2.gz HSRCVDGUVOAWLD-UHFFFAOYSA-N 0 3 678.796 7.362 1 0 KKAFHN C[C@H](c1ccccc1)N1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000049710973 562671919 /nfs/dbraw/zinc/67/19/19/562671919.db2.gz CKJUXBYRDUDCCC-SGPSMNCZSA-N 0 3 524.708 8.712 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049722634 562672281 /nfs/dbraw/zinc/67/22/81/562672281.db2.gz RXEVELWDBBDFGK-ACUNGTFPSA-N 0 3 606.538 6.002 1 0 KKAFHN CC(C)c1ccc(NC(=O)N[C@H]2CCN(CCCCCN(C)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049723007 562672811 /nfs/dbraw/zinc/67/28/11/562672811.db2.gz CLPJRMRZKPOGDZ-RARRKCLYSA-N 0 3 545.555 6.655 1 0 KKAFHN CCCN1CCN(CCNC(=O)c2cccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)c2)CC1 ZINC000049723290 562673191 /nfs/dbraw/zinc/67/31/91/562673191.db2.gz RFMTZNWYEKFOMU-UHFFFAOYSA-N 0 3 551.695 5.514 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049723331 562673280 /nfs/dbraw/zinc/67/32/80/562673280.db2.gz XBFCHXGUCAGRNN-UHFFFAOYSA-N 0 3 669.216 7.682 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744867 562673546 /nfs/dbraw/zinc/67/35/46/562673546.db2.gz LQKSVBWVXREMMV-UFYCRDLUSA-N 0 3 555.909 6.072 1 0 KKAFHN O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745248 562673748 /nfs/dbraw/zinc/67/37/48/562673748.db2.gz GUNSFAQQGCFKPF-ILWGZMRPSA-N 0 3 539.454 5.558 1 0 KKAFHN Cc1ccc(C)c(C(=O)C[C@@H](NCCCCCCCCN[C@H](CC(=O)c2cc(C)ccc2C)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000049746155 562674293 /nfs/dbraw/zinc/67/42/93/562674293.db2.gz UTCQLOUOUVXDCL-XRSDMRJBSA-N 0 3 702.940 8.300 1 0 KKAFHN COc1cc2cccnc2c(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000049746523 562674473 /nfs/dbraw/zinc/67/44/73/562674473.db2.gz NNSXHIDUMYQUHM-FQEVSTJZSA-N 0 3 571.043 8.231 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccc(F)cc2c(=O)nc1CCc1cccc(F)c1F ZINC000049756022 562674762 /nfs/dbraw/zinc/67/47/62/562674762.db2.gz CBCGXRVWQMGSJL-UHFFFAOYSA-N 0 3 694.720 7.655 1 0 KKAFHN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756116 562674873 /nfs/dbraw/zinc/67/48/73/562674873.db2.gz OHKVKGLOZBILIN-UFYCRDLUSA-N 0 3 589.461 6.437 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(O)cc3)c1)CC2 ZINC000049756412 562675011 /nfs/dbraw/zinc/67/50/11/562675011.db2.gz WXLFJLLHHQYRBX-PMERELPUSA-N 0 3 547.740 5.659 1 0 KKAFHN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CN[C@H](COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756856 562675240 /nfs/dbraw/zinc/67/52/40/562675240.db2.gz KEWIBIGKBFEKRG-LBFZIJHGSA-N 0 3 603.804 5.394 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1cccs1 ZINC000049776356 562679465 /nfs/dbraw/zinc/67/94/65/562679465.db2.gz DJUGJHCIQRZZGU-VWLOTQADSA-N 0 3 657.702 6.200 1 0 KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777049 562679620 /nfs/dbraw/zinc/67/96/20/562679620.db2.gz KBWOGYALBNIBQP-HKBQPEDESA-N 0 3 616.872 5.414 1 0 KKAFHN S=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777636 562680327 /nfs/dbraw/zinc/68/03/27/562680327.db2.gz NOGQVMFPQFEQBQ-QRIZJJBVSA-N 0 3 680.044 6.958 1 0 KKAFHN CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@H](C(C)(C)N3CCCC3=O)C2)c1 ZINC000049777692 562680424 /nfs/dbraw/zinc/68/04/24/562680424.db2.gz ZTFBNTHPVBDCAM-BHSUFKTOSA-N 0 3 547.784 5.195 1 0 KKAFHN CN(CCCCCN1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049777957 562680751 /nfs/dbraw/zinc/68/07/51/562680751.db2.gz OTHBAGWCTBAQJP-JGCGNYSVSA-N 0 3 595.571 7.324 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1ccccc1 ZINC000049778263 562681133 /nfs/dbraw/zinc/68/11/33/562681133.db2.gz YWPTVOHCMHCFBE-NDEPHWFRSA-N 0 3 651.673 6.138 1 0 KKAFHN Cc1cc(Cl)c(OCCCc2ccc(C[C@H](CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781106 562682655 /nfs/dbraw/zinc/68/26/55/562682655.db2.gz JYRFCCLPIJHNRI-AREMUKBSSA-N 0 3 618.045 7.200 1 0 KKAFHN Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781105 562682669 /nfs/dbraw/zinc/68/26/69/562682669.db2.gz JYRFCCLPIJHNRI-SANMLTNESA-N 0 3 618.045 7.200 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000049785030 562683880 /nfs/dbraw/zinc/68/38/80/562683880.db2.gz XDQLMSRLTKRTOW-VWLOTQADSA-N 0 3 649.059 6.488 1 0 KKAFHN CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(C(C)C)c2)C1 ZINC000049792079 562684340 /nfs/dbraw/zinc/68/43/40/562684340.db2.gz LVGZIFOZGQDLRO-BHSUFKTOSA-N 0 3 549.800 5.441 1 0 KKAFHN O=C(N[C@@H](Cc1ccccc1)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)OCc1cncs1 ZINC000049793358 562684760 /nfs/dbraw/zinc/68/47/60/562684760.db2.gz QYQNOMZLEZZSFR-NSOVKSMOSA-N 0 3 619.813 5.687 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccccc2Cl)s1)C1CCCCC1 ZINC000049793502 562684876 /nfs/dbraw/zinc/68/48/76/562684876.db2.gz KNYCQQSDMGDZCG-WYRQLCSISA-N 0 3 539.145 5.953 1 0 KKAFHN CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5sccn54)n3)cc2)CC1 ZINC000049793658 562685083 /nfs/dbraw/zinc/68/50/83/562685083.db2.gz MBYBHGUQPPLBRD-UHFFFAOYSA-N 0 3 614.779 6.587 1 0 KKAFHN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCN(CC)CC5)c(OC)cc43)ccc2s1 ZINC000049803042 562686000 /nfs/dbraw/zinc/68/60/00/562686000.db2.gz MYHOVGZNLUTPNZ-UHFFFAOYSA-N 0 3 549.697 5.180 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(Cc3ccccc3Cl)CCN2)c1 ZINC000049853709 562689047 /nfs/dbraw/zinc/68/90/47/562689047.db2.gz SMSFWZXSHBFRDJ-DSPMFFIESA-N 0 3 641.203 5.365 1 0 KKAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000049889296 562691980 /nfs/dbraw/zinc/69/19/80/562691980.db2.gz FCDNRJDHYPWDHC-UHFFFAOYSA-N 0 3 644.728 6.144 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2Cl)ccc1I ZINC000049917828 562693935 /nfs/dbraw/zinc/69/39/35/562693935.db2.gz HFLMEUCBRHODEJ-UHFFFAOYSA-N 0 3 535.813 6.196 1 0 KKAFHN CN(CCN1CCN(C)CC1)Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)cc1 ZINC000049898894 562692968 /nfs/dbraw/zinc/69/29/68/562692968.db2.gz CVUXIABNRCIXRF-UHFFFAOYSA-N 0 3 693.849 7.048 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccc(S(C)(=O)=O)cc4)c3Cl)c2n1 ZINC000049916665 562693532 /nfs/dbraw/zinc/69/35/32/562693532.db2.gz HJSPBXHQJWHFJY-UHFFFAOYSA-N 0 3 707.702 5.186 1 0 KKAFHN COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCc4cccnc4)cn3)cc2)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000049917610 562693625 /nfs/dbraw/zinc/69/36/25/562693625.db2.gz WVERAKKXMFPYPM-UHFFFAOYSA-N 0 3 685.844 7.237 1 0 KKAFHN CC(C)Cc1ccc(N2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 ZINC000049917684 562693753 /nfs/dbraw/zinc/69/37/53/562693753.db2.gz IUPCZOCHTNOPKO-UHFFFAOYSA-N 0 3 581.588 6.776 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@H](NC(=O)/C=C/c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917846 562694007 /nfs/dbraw/zinc/69/40/07/562694007.db2.gz CZLTVXNYOSUZAA-IUKPUOCZSA-N 0 3 598.596 6.068 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917857 562694027 /nfs/dbraw/zinc/69/40/27/562694027.db2.gz DJGWKTWKRTXWLC-LEWJYISDSA-N 0 3 619.943 7.295 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(CN(C)C)c(=O)nc1SCc1ccc(F)cc1 ZINC000049917917 562694133 /nfs/dbraw/zinc/69/41/33/562694133.db2.gz CSAOECNNUYJRTM-UHFFFAOYSA-N 0 3 650.264 6.427 1 0 KKAFHN CC(=O)COc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)ccc2c1CCCC2 ZINC000049917982 562694288 /nfs/dbraw/zinc/69/42/88/562694288.db2.gz FYVCXARDFGTCOB-UHFFFAOYSA-N 0 3 606.729 7.609 1 0 KKAFHN CCOc1c(OC)ccc2c1CCN(CCN1CCC(CNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC1)C2 ZINC000049918047 562694401 /nfs/dbraw/zinc/69/44/01/562694401.db2.gz FYEJMUSTBVPKJM-UHFFFAOYSA-N 0 3 595.706 6.280 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccc(F)cc4)c3Cl)c2n1 ZINC000049938381 562695253 /nfs/dbraw/zinc/69/52/53/562695253.db2.gz HAZGPFHRYIFASO-UHFFFAOYSA-N 0 3 647.600 5.921 1 0 KKAFHN COc1ccc(CNCc2c3ccc(C(=O)N(C)CC(C)C)cc3[nH]c2-c2n[nH]cc2-c2ccccc2)cc1 ZINC000049938521 562695397 /nfs/dbraw/zinc/69/53/97/562695397.db2.gz QTVSMFGUPOSIGZ-UHFFFAOYSA-N 0 3 521.665 6.251 1 0 KKAFHN CCOC(=O)c1cn(Cc2c(F)cccc2F)c2cc(-c3ccc(NC(=O)CC)cc3)c(CN(C)Cc3ccccc3)cc2c1=O ZINC000053206581 562696470 /nfs/dbraw/zinc/69/64/70/562696470.db2.gz JBODSIHHJZNESW-UHFFFAOYSA-N 0 3 623.700 7.152 1 0 KKAFHN CN1CCN(CCNc2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053293643 562697151 /nfs/dbraw/zinc/69/71/51/562697151.db2.gz RXAUDONEMZYHCD-UHFFFAOYSA-N 0 3 621.590 5.726 1 0 KKAFHN Cc1cc(-c2ccccc2)n(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000055646884 562697785 /nfs/dbraw/zinc/69/77/85/562697785.db2.gz FNNDUXYZPVJOBO-KCTCJIHVSA-N 0 3 540.752 6.245 1 0 KKAFHN Cc1cc(-c2ccccc2)n(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000055646884 562697786 /nfs/dbraw/zinc/69/77/86/562697786.db2.gz FNNDUXYZPVJOBO-KCTCJIHVSA-N 0 3 540.752 6.245 1 0 KKAFHN COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc21 ZINC000055734795 562697806 /nfs/dbraw/zinc/69/78/06/562697806.db2.gz SBJZGWKETAEEGB-UHFFFAOYSA-N 0 3 555.514 5.845 1 0 KKAFHN CC(C)(C)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000058511592 562698426 /nfs/dbraw/zinc/69/84/26/562698426.db2.gz XBOFJPSCQGVLPB-IZLXSDGUSA-N 0 3 635.856 6.323 1 0 KKAFHN CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c1 ZINC000058581801 562699872 /nfs/dbraw/zinc/69/98/72/562699872.db2.gz VACCKGGBGSUGJZ-XZWHSSHBSA-N 0 3 611.686 5.295 1 0 KKAFHN COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c2ccccc2n1 ZINC000058590536 562700316 /nfs/dbraw/zinc/70/03/16/562700316.db2.gz DKBNHLGWHQASNH-AREMUKBSSA-N 0 3 650.647 7.195 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NC5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058591331 562700468 /nfs/dbraw/zinc/70/04/68/562700468.db2.gz VZQLEKQMCOAWNB-LJQANCHMSA-N 0 3 587.149 6.547 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058591819 562700517 /nfs/dbraw/zinc/70/05/17/562700517.db2.gz LTNLGTPSGYMIIR-XMMPIXPASA-N 0 3 620.017 6.911 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033315 562701655 /nfs/dbraw/zinc/70/16/55/562701655.db2.gz YJCSDJWCEZYZLC-VWLOTQADSA-N 0 3 548.768 7.823 1 0 KKAFHN CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687914 562702144 /nfs/dbraw/zinc/70/21/44/562702144.db2.gz AXZSTWFPHUHVFF-BJKOFHAPSA-N 0 3 506.731 7.868 1 0 KKAFHN O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061903072 562702972 /nfs/dbraw/zinc/70/29/72/562702972.db2.gz ZDZJTQJMGWRFBP-LJAQVGFWSA-N 0 3 518.032 6.024 3 0 KKAFHN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(C(F)(F)F)c1 ZINC000064453613 562705624 /nfs/dbraw/zinc/70/56/24/562705624.db2.gz FRBQGDYIANBVIV-SFTDATJTSA-N 0 3 566.591 5.913 1 0 KKAFHN C[C@@H]1CN(C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074275 562709791 /nfs/dbraw/zinc/70/97/91/562709791.db2.gz NLIKRVUFEZIMOB-OAQYLSRUSA-N 0 3 554.085 5.118 1 0 KKAFHN Cc1nnc(-c2ccccc2)n1C1CCN(CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066080079 562710738 /nfs/dbraw/zinc/71/07/38/562710738.db2.gz MLBRLXKHSAHTOE-HHHXNRCGSA-N 0 3 529.710 5.043 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066098899 562711032 /nfs/dbraw/zinc/71/10/32/562711032.db2.gz OISSAGDOBVXRAL-JGCGQSQUSA-N 0 3 592.788 5.610 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCN2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066102584 562711444 /nfs/dbraw/zinc/71/14/44/562711444.db2.gz FYONRHDEVCYUIG-FMHSGURNSA-N 0 3 565.640 5.695 1 0 KKAFHN O=C(CCCc1ccccc1)O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000066104709 562711741 /nfs/dbraw/zinc/71/17/41/562711741.db2.gz BYFXZIUNDKEGTH-LJAQVGFWSA-N 0 3 524.076 6.850 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(OC4CCN(C5CC5)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066114314 562712324 /nfs/dbraw/zinc/71/23/24/562712324.db2.gz ZUDYNCJHVWNHDF-LJQANCHMSA-N 0 3 564.608 6.289 1 0 KKAFHN CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccc(Br)cc1 ZINC000066136573 562713220 /nfs/dbraw/zinc/71/32/20/562713220.db2.gz AZXCXDZLLRZTNC-UHFFFAOYSA-N 0 3 623.411 5.331 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000066136637 562713272 /nfs/dbraw/zinc/71/32/72/562713272.db2.gz ILXAKKDOMJRPPA-BIALHBOASA-N 0 3 624.562 5.285 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000066166662 562714117 /nfs/dbraw/zinc/71/41/17/562714117.db2.gz DFSBUGSUDBGGAL-MKGJDZFWSA-N 0 3 611.705 5.916 3 0 KKAFHN O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1C[C@@H](F)CN1 ZINC000066166836 562714174 /nfs/dbraw/zinc/71/41/74/562714174.db2.gz JHAQDACUOASJFN-RPBOFIJWSA-N 0 3 533.051 5.214 1 0 KKAFHN CN1CCC[C@H](Nc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258801 562715110 /nfs/dbraw/zinc/71/51/10/562715110.db2.gz UKGUYMZTTOHLED-IBGZPJMESA-N 0 3 565.566 5.764 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000068245720 562716100 /nfs/dbraw/zinc/71/61/00/562716100.db2.gz QERKFYMVRVODAM-UHFFFAOYSA-N 0 3 518.610 5.261 1 0 KKAFHN CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)Cc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071295547 562717319 /nfs/dbraw/zinc/71/73/19/562717319.db2.gz WOJRPSBNVRDMLF-VRGGLLGESA-N 0 3 576.891 7.246 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(=O)c2ccc(Br)cc2)CC1 ZINC000071315976 562717796 /nfs/dbraw/zinc/71/77/96/562717796.db2.gz QWZMXDMMLKZNEH-CQSZACIVSA-N 0 3 513.263 5.254 1 0 KKAFHN S=C1N=C2C(=Cc3cccc4ccccc34)CN(Cc3ccccc3)CC2[C@@H](c2cccc3ccccc32)N1 ZINC000071340719 562719825 /nfs/dbraw/zinc/71/98/25/562719825.db2.gz VTNQOZDFITULBB-TYHBVVQBSA-N 0 3 523.705 7.777 1 0 KKAFHN CCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1 ZINC000072120051 562723947 /nfs/dbraw/zinc/72/39/47/562723947.db2.gz JGYQMAQNXPMEBL-UHFFFAOYSA-N 0 3 547.625 5.703 1 0 KKAFHN CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(c(O)cc4Br)O[C@@H]2[C@]53CCN1CC1CC1 ZINC000072122631 562724573 /nfs/dbraw/zinc/72/45/73/562724573.db2.gz SXWDQIUYZZCDCQ-LDFHUFRKSA-N 0 3 546.546 5.176 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000072136945 562728246 /nfs/dbraw/zinc/72/82/46/562728246.db2.gz YNDKNWSMOFRSTP-WNQXLSPZSA-N 0 3 680.041 6.331 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072142222 562729480 /nfs/dbraw/zinc/72/94/80/562729480.db2.gz PBMKPKLGLMSGEU-ISCCLHIJSA-N 0 3 589.552 5.142 3 0 KKAFHN COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155025 562730159 /nfs/dbraw/zinc/73/01/59/562730159.db2.gz IOCCJLLQYQBDKI-JSOSNVBQSA-N 0 3 682.814 6.523 3 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172208 562730665 /nfs/dbraw/zinc/73/06/65/562730665.db2.gz FYNWFSJMQKURFE-UHFFFAOYSA-N 0 3 544.604 5.211 1 0 KKAFHN CC(C)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@@H](c1cc(Cl)ccn1)c1cccnc12 ZINC000072317805 562733237 /nfs/dbraw/zinc/73/32/37/562733237.db2.gz YOXWNCRWJMZYKR-JOCHJYFZSA-N 0 3 503.952 6.375 1 0 KKAFHN CC(C)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@H](c1cc(Cl)ccn1)c1cccnc12 ZINC000072317806 562733240 /nfs/dbraw/zinc/73/32/40/562733240.db2.gz YOXWNCRWJMZYKR-QFIPXVFZSA-N 0 3 503.952 6.375 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 ZINC000073141857 562733772 /nfs/dbraw/zinc/73/37/72/562733772.db2.gz SIKNLOGXXNNBCE-RMKNXTFCSA-N 0 3 601.633 6.286 1 0 KKAFHN C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073197147 562735267 /nfs/dbraw/zinc/73/52/67/562735267.db2.gz DNGAWUMPQLYJTP-TZPNTHKFSA-N 0 3 552.506 5.740 1 0 KKAFHN CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000073223137 562736471 /nfs/dbraw/zinc/73/64/71/562736471.db2.gz PTNCJTBBANMOLZ-RZDWPUGNSA-N 0 3 506.090 5.846 1 0 KKAFHN COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C ZINC000073258750 562737084 /nfs/dbraw/zinc/73/70/84/562737084.db2.gz ODCYIKWOTVSPKB-XZWHSSHBSA-N 0 3 622.762 6.743 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ncccc23)cc1 ZINC000073275875 562737298 /nfs/dbraw/zinc/73/72/98/562737298.db2.gz YEDVQMXBJGPGIO-HSZRJFAPSA-N 0 3 509.355 6.898 1 0 KKAFHN CN(C)CCN(Cc1ccccc1)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073291810 562737522 /nfs/dbraw/zinc/73/75/22/562737522.db2.gz WEURIKGHASMEEJ-VWLOTQADSA-N 0 3 513.469 5.362 1 0 KKAFHN CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1)c1ccccc1 ZINC000082140909 562739618 /nfs/dbraw/zinc/73/96/18/562739618.db2.gz SNTMWNQBAMYSJI-GOTXZEDRSA-N 0 3 734.938 5.567 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000082150782 562739879 /nfs/dbraw/zinc/73/98/79/562739879.db2.gz QGSQJIGPZSEBPB-JOCHJYFZSA-N 0 3 582.576 5.770 1 0 KKAFHN CN(C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2ccc(F)c(Cl)c2Cl)CCC1=O ZINC000082153061 562740084 /nfs/dbraw/zinc/74/00/84/562740084.db2.gz JFAYKLGHUXFQQT-UHFFFAOYSA-N 0 3 572.534 5.372 1 0 KKAFHN O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000082155936 562740624 /nfs/dbraw/zinc/74/06/24/562740624.db2.gz CFMVBYMQCBVYEU-UHFFFAOYSA-N 0 3 557.738 5.965 1 0 KKAFHN C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082156927 562740797 /nfs/dbraw/zinc/74/07/97/562740797.db2.gz KMBAKONRJYHTSX-QAJFTPDKSA-N 0 3 574.431 5.014 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000082157919 562741016 /nfs/dbraw/zinc/74/10/16/562741016.db2.gz BDTZGVGKDZTCTN-DUPMHHLHSA-N 0 3 541.095 5.633 1 0 KKAFHN N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175472 562741644 /nfs/dbraw/zinc/74/16/44/562741644.db2.gz LIMJKIRESKWUFU-DHIUTWEWSA-N 0 3 666.816 7.736 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000082185931 562742342 /nfs/dbraw/zinc/74/23/42/562742342.db2.gz VEYXNSARLJIJRR-IAYPMUAMSA-N 0 3 684.800 7.277 1 0 KKAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000084596692 562743742 /nfs/dbraw/zinc/74/37/42/562743742.db2.gz KKJFYXKHSCMEHR-VMPREFPWSA-N 0 3 584.683 5.100 1 0 KKAFHN Cc1cccc(C)c1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 ZINC000084597192 562743920 /nfs/dbraw/zinc/74/39/20/562743920.db2.gz OIYJAXKZJUEIPA-WJOKGBTCSA-N 0 3 568.718 5.295 1 0 KKAFHN O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084631954 562745417 /nfs/dbraw/zinc/74/54/17/562745417.db2.gz PLKUANBZKFHKND-UHFFFAOYSA-N 0 3 560.138 7.836 1 0 KKAFHN COC(=O)[C@@H](CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632226 562745460 /nfs/dbraw/zinc/74/54/60/562745460.db2.gz QLDJHSRGZNOSDW-WZFJQBBKSA-N 0 3 568.705 5.683 1 0 KKAFHN COC(=O)[C@@H](CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632226 562745461 /nfs/dbraw/zinc/74/54/61/562745461.db2.gz QLDJHSRGZNOSDW-WZFJQBBKSA-N 0 3 568.705 5.683 1 0 KKAFHN C[C@H](Oc1cc(-c2nc(-c3ccc(CN(C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655408 562747499 /nfs/dbraw/zinc/74/74/99/562747499.db2.gz JBRZKYLSQYOAJO-HNNXBMFYSA-N 0 3 541.599 5.774 1 0 KKAFHN C[C@@H](Oc1cc(-c2nc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655412 562747501 /nfs/dbraw/zinc/74/75/01/562747501.db2.gz BXNYUDMLUGTVPR-OAHLLOKOSA-N 0 3 541.599 5.774 1 0 KKAFHN Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)nc1 ZINC000084655460 562747538 /nfs/dbraw/zinc/74/75/38/562747538.db2.gz WGJIAMSLBTZDEA-MHZLTWQESA-N 0 3 503.965 5.441 1 0 KKAFHN N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1 ZINC000084669685 562748048 /nfs/dbraw/zinc/74/80/48/562748048.db2.gz VBHFMVGPXTYUIR-YTTGMZPUSA-N 0 3 568.766 7.054 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084709050 562750292 /nfs/dbraw/zinc/75/02/92/562750292.db2.gz YCRNUCBVYJRPTD-JGCGQSQUSA-N 0 3 563.061 6.364 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724582 562751157 /nfs/dbraw/zinc/75/11/57/562751157.db2.gz WNGXMRNNQVTALF-FRCYUFDXSA-N 0 3 599.134 8.246 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084733520 562751883 /nfs/dbraw/zinc/75/18/83/562751883.db2.gz OLGGEMHVMHDMBQ-AHRDRJHTSA-N 0 3 699.254 10.552 1 0 KKAFHN C[C@@H]1CN(c2ccc3c(ccnc3Nc3ccc(Cl)c(-c4nc(-c5ccccc5)c[nH]4)c3)c2)C[C@H](C)O1 ZINC000088343207 562753525 /nfs/dbraw/zinc/75/35/25/562753525.db2.gz IQBYYYDDWFBIMZ-BGYRXZFFSA-N 0 3 510.041 7.303 1 0 KKAFHN O=C(Nc1ccc2[nH]cc(C3CCN(C[C@H](N4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1 ZINC000095540638 562755888 /nfs/dbraw/zinc/75/58/88/562755888.db2.gz GMPLQRYRDNTYBI-FAIXQHPJSA-N 0 3 768.831 9.422 1 0 KKAFHN CCN1CCN(C[C@H]2S[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550404 562760152 /nfs/dbraw/zinc/76/01/52/562760152.db2.gz VXILBVIYBFDZND-FJQKOURKSA-N 0 3 760.752 6.417 1 0 KKAFHN CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000095552505 562760669 /nfs/dbraw/zinc/76/06/69/562760669.db2.gz FOBXXPHCATYEQV-HXUWFJFHSA-N 0 3 619.242 5.481 1 0 KKAFHN CCCCNc1nc(NCc2ccc(CCCC)cc2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1 ZINC000095552821 562760787 /nfs/dbraw/zinc/76/07/87/562760787.db2.gz JZCLNDMGTJCDOY-MUUNZHRXSA-N 0 3 593.842 5.938 1 0 KKAFHN COc1cc(/C=C/C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)ccc1OCCO[N+](=O)[O-] ZINC000095555204 562761526 /nfs/dbraw/zinc/76/15/26/562761526.db2.gz HNDBWRWMAUROSM-BMRADRMJSA-N 0 3 562.667 5.511 1 0 KKAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Cl)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555918 562761674 /nfs/dbraw/zinc/76/16/74/562761674.db2.gz RELNUIMSHHSYSY-UHFFFAOYSA-N 0 3 814.884 7.469 1 0 KKAFHN CCOC(=O)CCN(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1)CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000095556910 562761924 /nfs/dbraw/zinc/76/19/24/562761924.db2.gz FSOITGDKYHBUBO-UHFFFAOYSA-N 0 3 733.814 6.980 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)NCc1ccc(Cl)cc1 ZINC000095557298 562762075 /nfs/dbraw/zinc/76/20/75/562762075.db2.gz BCYHNZOREOSEDC-QJKWIJLYSA-N 0 3 648.244 7.219 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095564831 562764444 /nfs/dbraw/zinc/76/44/44/562764444.db2.gz NLDQNXPJJNOIIK-UNTHUGQZSA-N 0 3 578.713 5.353 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095564714 562764454 /nfs/dbraw/zinc/76/44/54/562764454.db2.gz APCAUJZEWHRTOX-DFSMTXOASA-N 0 3 658.799 7.628 1 0 KKAFHN CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095565613 562764643 /nfs/dbraw/zinc/76/46/43/562764643.db2.gz DHPIXDXHWYRYQT-JLELKNTQSA-N 0 3 573.738 5.286 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566605 562765158 /nfs/dbraw/zinc/76/51/58/562765158.db2.gz PBMGKXVNCBHHBJ-DJWGBOQKSA-N 0 3 645.841 5.804 3 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095567007 562765422 /nfs/dbraw/zinc/76/54/22/562765422.db2.gz MGXDQALVEHELJP-HNMNOHOESA-N 0 3 620.599 5.455 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567012 562765443 /nfs/dbraw/zinc/76/54/43/562765443.db2.gz CMAOMNSLQLVSHG-YBBGPBPVSA-N 0 3 636.715 5.730 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567349 562765740 /nfs/dbraw/zinc/76/57/40/562765740.db2.gz YKJQWERUMMRZAT-KMRPOYNRSA-N 0 3 642.800 7.503 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567776 562766058 /nfs/dbraw/zinc/76/60/58/562766058.db2.gz NLDQNXPJJNOIIK-VJQVOXFUSA-N 0 3 578.713 5.353 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095568098 562766359 /nfs/dbraw/zinc/76/63/59/562766359.db2.gz CMLTYIJXOZVOLL-TVUFSCHNSA-N 0 3 612.815 6.089 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568382 562766573 /nfs/dbraw/zinc/76/65/73/562766573.db2.gz DEMCBGNJFOTASI-IKDMDFKBSA-N 0 3 638.589 5.214 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568462 562766691 /nfs/dbraw/zinc/76/66/91/562766691.db2.gz IOGICXGLCRDSGV-ONVRQXBLSA-N 0 3 734.860 8.430 1 0 KKAFHN Cc1cc(N2CCN([C@@H](c3nnnn3-c3c(C)cccc3C)c3ccnc4ccccc43)CC2)c2ccccc2n1 ZINC000095568539 562766769 /nfs/dbraw/zinc/76/67/69/562766769.db2.gz LFSZFZUZMKSNCB-JGCGQSQUSA-N 0 3 540.675 5.596 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095568718 562766836 /nfs/dbraw/zinc/76/68/36/562766836.db2.gz RGDWZLATWUCGFS-DOKVQHETSA-N 0 3 675.833 7.152 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569135 562767177 /nfs/dbraw/zinc/76/71/77/562767177.db2.gz VBZIQFOBKDVEDH-HQPLKVBUSA-N 0 3 714.058 6.528 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095569300 562767329 /nfs/dbraw/zinc/76/73/29/562767329.db2.gz QQBXNGROOKAAKB-BVXAZASISA-N 0 3 669.745 5.083 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569386 562767385 /nfs/dbraw/zinc/76/73/85/562767385.db2.gz YLCYRDPZGWCEPF-ACHOWJBZSA-N 0 3 631.770 5.646 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569386 562767386 /nfs/dbraw/zinc/76/73/86/562767386.db2.gz YLCYRDPZGWCEPF-ACHOWJBZSA-N 0 3 631.770 5.646 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569950 562767815 /nfs/dbraw/zinc/76/78/15/562767815.db2.gz JQXCVRFSCSGTFT-DGIFUFQNSA-N 0 3 634.626 5.384 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095570046 562767850 /nfs/dbraw/zinc/76/78/50/562767850.db2.gz VFODUGZKJXJXBF-HSHANODTSA-N 0 3 658.843 6.308 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570105 562767926 /nfs/dbraw/zinc/76/79/26/562767926.db2.gz FIGGLCUVZRSRTI-QXULMBECSA-N 0 3 735.926 6.870 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570728 562768416 /nfs/dbraw/zinc/76/84/16/562768416.db2.gz AIDUNWUCHWLKPO-NNLWJYRWSA-N 0 3 650.776 6.007 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570796 562768474 /nfs/dbraw/zinc/76/84/74/562768474.db2.gz HMCLAGFKTYIJCB-YHJOQWEYSA-N 0 3 648.726 6.784 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570923 562768629 /nfs/dbraw/zinc/76/86/29/562768629.db2.gz BCUCLIMAYGDMQB-YJYIJQSESA-N 0 3 682.797 5.585 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095571066 562768737 /nfs/dbraw/zinc/76/87/37/562768737.db2.gz ACMKWYMGGGFAOB-BCDQWZCSSA-N 0 3 602.629 5.841 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571161 562768837 /nfs/dbraw/zinc/76/88/37/562768837.db2.gz TWOWYTAAZQEFAQ-PNRGXICFSA-N 0 3 634.802 6.568 1 0 KKAFHN CC(=O)N[C@@H](Cc1ccc(F)c(C(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574079 562769881 /nfs/dbraw/zinc/76/98/81/562769881.db2.gz MYTVXNHBRORZBI-CCDWMCETSA-N 0 3 551.625 5.272 1 0 KKAFHN CC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095578285 562771200 /nfs/dbraw/zinc/77/12/00/562771200.db2.gz FYUUNYNZWADHLV-CCDWMCETSA-N 0 3 533.635 5.133 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccc(F)cc2)c1 ZINC000095586002 562773854 /nfs/dbraw/zinc/77/38/54/562773854.db2.gz QDWONRSNSMNTTA-XZWHSSHBSA-N 0 3 547.715 5.315 1 0 KKAFHN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095586220 562773874 /nfs/dbraw/zinc/77/38/74/562773874.db2.gz KAHGGXASNIKQCD-UHFFFAOYSA-N 0 3 594.778 10.123 1 0 KKAFHN CCCCCCn1cc(CCCCCc2cn(CCNC(=O)c3ccc(CCCCC)cc3)nn2)nc1N ZINC000095590682 562775369 /nfs/dbraw/zinc/77/53/69/562775369.db2.gz ABNZPPVLOKAIJZ-UHFFFAOYSA-N 0 3 521.754 5.755 1 0 KKAFHN COC(=O)c1ccc(-c2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095591355 562775632 /nfs/dbraw/zinc/77/56/32/562775632.db2.gz KTDLKOVVFMBNMC-UHFFFAOYSA-N 0 3 601.703 6.559 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4sc([C@@H](O)C(F)(F)F)cc4c3)[nH]2)cc1 ZINC000095591563 562775658 /nfs/dbraw/zinc/77/56/58/562775658.db2.gz RAAVZRCTBRDFFN-AREMUKBSSA-N 0 3 538.595 6.557 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4sc([C@@H](O)C(F)(F)F)cc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095591563 562775659 /nfs/dbraw/zinc/77/56/59/562775659.db2.gz RAAVZRCTBRDFFN-AREMUKBSSA-N 0 3 538.595 6.557 1 0 KKAFHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H](NCc3ccc(I)o3)CC[C@]12C ZINC000095592178 562775830 /nfs/dbraw/zinc/77/58/30/562775830.db2.gz PWVPUSOWIGEZGE-FTPLKRJMSA-N 0 3 501.493 6.382 1 0 KKAFHN CCCN(CCC)C(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000095592942 562776075 /nfs/dbraw/zinc/77/60/75/562776075.db2.gz UGZMMHQVHFQHFH-NRSKXHDUSA-N 0 3 515.698 5.002 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+][C@H](C)c4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095595224 562776678 /nfs/dbraw/zinc/77/66/78/562776678.db2.gz MUNSMNHYTOTYRD-HSZRJFAPSA-N 0 3 540.660 6.688 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598787 562777565 /nfs/dbraw/zinc/77/75/65/562777565.db2.gz ZBBNPLMVFVREHD-FOWIORFYSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598787 562777566 /nfs/dbraw/zinc/77/75/66/562777566.db2.gz ZBBNPLMVFVREHD-FOWIORFYSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095599585 562778180 /nfs/dbraw/zinc/77/81/80/562778180.db2.gz ZBBNPLMVFVREHD-GTZOPPDQSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095599585 562778181 /nfs/dbraw/zinc/77/81/81/562778181.db2.gz ZBBNPLMVFVREHD-GTZOPPDQSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599646 562778238 /nfs/dbraw/zinc/77/82/38/562778238.db2.gz VEYXNSARLJIJRR-BWLKTWDLSA-N 0 3 684.800 7.277 1 0 KKAFHN COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1 ZINC000095599687 562778284 /nfs/dbraw/zinc/77/82/84/562778284.db2.gz HIKKVCQPDRGGEN-RIKJNLPISA-N 0 3 673.917 5.804 1 0 KKAFHN COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1 ZINC000095599687 562778285 /nfs/dbraw/zinc/77/82/85/562778285.db2.gz HIKKVCQPDRGGEN-RIKJNLPISA-N 0 3 673.917 5.804 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599759 562778322 /nfs/dbraw/zinc/77/83/22/562778322.db2.gz RBOAJFBNHJWMOW-GAIIXZKLSA-N 0 3 684.800 7.277 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095600003 562778519 /nfs/dbraw/zinc/77/85/19/562778519.db2.gz XGMQKVJTWVADHD-WMBRHFINSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O ZINC000095600062 562778552 /nfs/dbraw/zinc/77/85/52/562778552.db2.gz ULSHRNFHFOMVNH-DWAIMSSFSA-N 0 3 670.773 6.280 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600665 562779118 /nfs/dbraw/zinc/77/91/18/562779118.db2.gz WRYGCPSZOBAIIH-LVDDARDMSA-N 0 3 728.809 7.006 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095601236 562779458 /nfs/dbraw/zinc/77/94/58/562779458.db2.gz PIPSXTOHKBCCEO-GAQVVXLESA-N 0 3 702.790 7.416 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc4c(c2)OCO4)OCCCC[C@@H](C)O3)cc1 ZINC000095602071 562779892 /nfs/dbraw/zinc/77/98/92/562779892.db2.gz AXBDLHZRWNTTPP-IEPUYCOHSA-N 0 3 695.879 5.452 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095604022 562780838 /nfs/dbraw/zinc/78/08/38/562780838.db2.gz PIPSXTOHKBCCEO-BEAGFIRGSA-N 0 3 702.790 7.416 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605741 562781717 /nfs/dbraw/zinc/78/17/17/562781717.db2.gz PIPSXTOHKBCCEO-FXKJGQKXSA-N 0 3 702.790 7.416 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000095607675 562782961 /nfs/dbraw/zinc/78/29/61/562782961.db2.gz ORPYCWJPNJKZIA-QAXCHELISA-N 0 3 635.293 6.124 1 0 KKAFHN COc1cc(C(=O)N2CCC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095610961 562784707 /nfs/dbraw/zinc/78/47/07/562784707.db2.gz YMHZUQFCCIVBOA-QLKFWGTOSA-N 0 3 787.760 8.715 1 0 KKAFHN COc1cc2c(cc1OCCCCCN1CCN(CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000095615983 562787690 /nfs/dbraw/zinc/78/76/90/562787690.db2.gz KMALZPASESRBSO-XJYHXZFBSA-N 0 3 750.888 5.657 1 0 KKAFHN CCNc1ccc(OC[C@@H](O)CN(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670079 562788225 /nfs/dbraw/zinc/78/82/25/562788225.db2.gz IWYTUWMBDRWLJL-IGKIAQTJSA-N 0 3 502.577 6.019 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3ccncc3)cc2C1=O ZINC000095703545 562788618 /nfs/dbraw/zinc/78/86/18/562788618.db2.gz SEUAKNKWNUNSGP-OXYPMYLPSA-N 0 3 552.675 5.288 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095771783 562788965 /nfs/dbraw/zinc/78/89/65/562788965.db2.gz BGHRQJUTYMMBFS-DOBRQBTGSA-N 0 3 564.726 6.636 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095818867 562789227 /nfs/dbraw/zinc/78/92/27/562789227.db2.gz DJCIIHJEQUSOOT-OBFUEJMCSA-N 0 3 703.803 6.882 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095846713 562789476 /nfs/dbraw/zinc/78/94/76/562789476.db2.gz NHGHJDDGJPIKGB-NOMHHCBYSA-N 0 3 590.687 5.512 1 0 KKAFHN CCCc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174109 562791696 /nfs/dbraw/zinc/79/16/96/562791696.db2.gz OOCXBJPTLMRNHD-UHFFFAOYSA-N 0 3 584.728 6.792 1 0 KKAFHN COc1cccc(CNC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174104 562791700 /nfs/dbraw/zinc/79/17/00/562791700.db2.gz JBFYEVKDKQOVNR-UHFFFAOYSA-N 0 3 586.700 5.526 1 0 KKAFHN Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H](N(C)CCC(F)(F)F)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175694 562791849 /nfs/dbraw/zinc/79/18/49/562791849.db2.gz DCPHWMWWDPFCSD-AYRHNUGRSA-N 0 3 624.098 6.968 1 0 KKAFHN CN(C)CCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176979 562792392 /nfs/dbraw/zinc/79/23/92/562792392.db2.gz PKNHUPGZFBLNGU-SANMLTNESA-N 0 3 500.668 6.126 1 0 KKAFHN C[C@@H](c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CCN(C)C ZINC000096269789 562793029 /nfs/dbraw/zinc/79/30/29/562793029.db2.gz TVYKSXYNPUZARC-VWLOTQADSA-N 0 3 719.853 7.092 1 0 KKAFHN CN(CCN1CCCCC1)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269797 562793056 /nfs/dbraw/zinc/79/30/56/562793056.db2.gz DRUHJMPEAVCDDR-UHFFFAOYSA-N 0 3 745.891 7.455 1 0 KKAFHN Cc1cc(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCO)CC1 ZINC000096272787 562794255 /nfs/dbraw/zinc/79/42/55/562794255.db2.gz UKUFMIUQNWAMIB-UHFFFAOYSA-N 0 3 581.783 5.722 1 0 KKAFHN CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCCCCC(=O)N1)CC1(CCC1)O2 ZINC000096273405 562794483 /nfs/dbraw/zinc/79/44/83/562794483.db2.gz QPAQZVPVDCXNCF-YTCPBCGMSA-N 0 3 504.715 5.570 1 0 in-vitro KKAFHN Cc1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285362 562795514 /nfs/dbraw/zinc/79/55/14/562795514.db2.gz WZRAMHXCXACTHM-IADCTJSHSA-N 0 3 546.760 5.186 1 0 KKAFHN Cc1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285363 562795544 /nfs/dbraw/zinc/79/55/44/562795544.db2.gz WZRAMHXCXACTHM-MUAVYFROSA-N 0 3 546.760 5.186 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096900473 562796906 /nfs/dbraw/zinc/79/69/06/562796906.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 0 3 747.288 9.026 1 0 KKAFHN CN(C)Cc1ccc(-c2ccc3oc4c(c3c2)n(CCCc2ccccc2)c(=O)nc4-c2ccccc2)cc1 ZINC000096906326 562798749 /nfs/dbraw/zinc/79/87/49/562798749.db2.gz WVEXDKDXFFYFCD-UHFFFAOYSA-N 0 3 513.641 7.171 1 0 KKAFHN O=C(Nc1cccc(CN2CCCC2)c1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096907628 562799154 /nfs/dbraw/zinc/79/91/54/562799154.db2.gz KEYURLVMZNLPOF-SFHVURJKSA-N 0 3 527.509 5.811 1 0 KKAFHN COc1ccc(Cc2nc(-c3cc(Br)c(OCCN(C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921829 562801511 /nfs/dbraw/zinc/80/15/11/562801511.db2.gz AAUORFNJZIOJEL-UHFFFAOYSA-N 0 3 616.148 5.264 1 0 KKAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923599 562802157 /nfs/dbraw/zinc/80/21/57/562802157.db2.gz HBJAUIGRDDZSRE-PMERELPUSA-N 0 3 600.751 5.898 1 0 KKAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923599 562802158 /nfs/dbraw/zinc/80/21/58/562802158.db2.gz HBJAUIGRDDZSRE-PMERELPUSA-N 0 3 600.751 5.898 1 0 KKAFHN C[C@H](c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@H](C)c3ccccc3)cc2)cc1 ZINC000096926973 562802479 /nfs/dbraw/zinc/80/24/79/562802479.db2.gz VLZNXMNXKJRQGR-FUKKJWEXSA-N 0 3 612.818 8.185 1 0 KKAFHN CN1CCN(CCCNc2cccc(-n3cc(-c4ccc5ccc(-c6cn(-c7cccc(NCCCN8CCN(C)CC8)c7)nn6)cc5c4)nn3)c2)CC1 ZINC000096935080 562804006 /nfs/dbraw/zinc/80/40/06/562804006.db2.gz RVGIQDFRVNHCRE-UHFFFAOYSA-N 0 3 724.962 5.434 1 0 KKAFHN c1ccc2sc(N[C@@H](c3ccc(OCc4ccc(OCCN5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938104 562804413 /nfs/dbraw/zinc/80/44/13/562804413.db2.gz NLLOVMZXCOWCHJ-SSEXGKCCSA-N 0 3 513.707 7.303 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033922 562806252 /nfs/dbraw/zinc/80/62/52/562806252.db2.gz PEGVMPUQDVEUGG-UFEOWHGLSA-N 0 3 533.713 6.597 1 0 KKAFHN CN1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696247 562811839 /nfs/dbraw/zinc/81/18/39/562811839.db2.gz SECMQIPLSAXOJP-UHFFFAOYSA-N 0 3 582.726 5.241 1 0 KKAFHN CN1CCCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696524 562811964 /nfs/dbraw/zinc/81/19/64/562811964.db2.gz RWCOEHUIEYKOMU-UHFFFAOYSA-N 0 3 582.726 5.241 1 0 KKAFHN CN1CCN(CCCNc2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000103165490 562814620 /nfs/dbraw/zinc/81/46/20/562814620.db2.gz MLQKTZNSXUACNS-UHFFFAOYSA-N 0 3 594.814 5.595 1 0 KKAFHN COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4OC)[C@H](c4ccccc4OC)N23)cc1 ZINC000103230171 562818154 /nfs/dbraw/zinc/81/81/54/562818154.db2.gz FPOSITSESXWBAH-VSNJZNDESA-N 0 3 523.658 6.111 1 0 KKAFHN Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@@H](c1ncccc1CN1CCCCC1)C2 ZINC000103230673 562818258 /nfs/dbraw/zinc/81/82/58/562818258.db2.gz ZLGWYJASQNICIN-QEIWAGNOSA-N 0 3 520.548 7.874 1 0 KKAFHN CN(C)CC[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232919 562818375 /nfs/dbraw/zinc/81/83/75/562818375.db2.gz QOAOOBLEORARMS-HNNXBMFYSA-N 0 3 548.306 5.572 1 0 KKAFHN CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234262 562818589 /nfs/dbraw/zinc/81/85/89/562818589.db2.gz JXQVGTZZOJURFI-UHFFFAOYSA-N 0 3 599.191 5.264 1 0 KKAFHN CC(C)(C)CCN1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103239082 562819255 /nfs/dbraw/zinc/81/92/55/562819255.db2.gz CYVNFPFWQDJUSR-UHFFFAOYSA-N 0 3 528.575 7.211 1 0 KKAFHN CC(C)CN1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103239066 562819258 /nfs/dbraw/zinc/81/92/58/562819258.db2.gz WCFRBYYXLPOTLD-UHFFFAOYSA-N 0 3 500.521 6.431 1 0 KKAFHN CC[N@H+](CCCCCCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1)Cc1ccccc1OC ZINC000103251936 562820392 /nfs/dbraw/zinc/82/03/92/562820392.db2.gz ONQKJLHUNHPZMA-UHFFFAOYSA-N 0 3 517.622 6.341 1 0 KKAFHN CC[N@@H+](CCCCCCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1)Cc1ccccc1OC ZINC000103251936 562820393 /nfs/dbraw/zinc/82/03/93/562820393.db2.gz ONQKJLHUNHPZMA-UHFFFAOYSA-N 0 3 517.622 6.341 1 0 KKAFHN O=C(Nc1cnc2[nH]ccc2c1)N1CCC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)CC1 ZINC000103260738 562821205 /nfs/dbraw/zinc/82/12/05/562821205.db2.gz ZQSLBYKHROGBNG-UHFFFAOYSA-N 0 3 530.072 6.919 1 0 KKAFHN CCn1cc(-c2nnc(-c3ccc(Nc4ccccc4)cc3)o2)c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000103289943 562824061 /nfs/dbraw/zinc/82/40/61/562824061.db2.gz UIBMXAVVTPUAIL-UHFFFAOYSA-N 0 3 510.573 5.031 1 0 KKAFHN CCC(=O)[C@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)(C(C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](O)[C@@H]2C)c(C)c(=O)c1C ZINC000103290165 562824082 /nfs/dbraw/zinc/82/40/82/562824082.db2.gz KFTURSYHACTBSL-SBRIVKPPSA-N 0 3 558.712 5.099 1 0 KKAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]12c1cc(F)c(Cl)cc1NC2=O ZINC000113336568 562826437 /nfs/dbraw/zinc/82/64/37/562826437.db2.gz LUWJBEWUBHAOJO-AMKZZFPWSA-N 0 3 601.481 5.760 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N[C@H]5CCC[NH2+]C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114034363 562826952 /nfs/dbraw/zinc/82/69/52/562826952.db2.gz MGEPPNAWRUVOBH-FQEVSTJZSA-N 0 3 544.055 6.165 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4ccc(C[NH+]5CCCC5)cc4)c3c2)cc(Cl)c1[O-] ZINC000114038448 562827364 /nfs/dbraw/zinc/82/73/64/562827364.db2.gz JPJYOWKHNJXNCH-UHFFFAOYSA-N 0 3 513.037 7.125 1 0 KKAFHN Cc1cc(F)c(C(=O)N[C@H]2C/C=C/CCC(=O)Nc3cc(NC(=O)OCCN(C)C)ccc3-c3[nH]c2nc3Cl)c(F)c1 ZINC000114230251 562827937 /nfs/dbraw/zinc/82/79/37/562827937.db2.gz RRVKMGRUSPIOBO-FNEOHHHZSA-N 0 3 601.054 5.577 1 0 KKAFHN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN4CC[C@@H](O)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755816 562828440 /nfs/dbraw/zinc/82/84/40/562828440.db2.gz YFIAGILPWYUJOO-XMMPIXPASA-N 0 3 551.651 5.101 1 0 KKAFHN CN1CCC(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CCCC7)c4CO)cn(C)c3=O)nc2)CC1 ZINC000116053962 562829164 /nfs/dbraw/zinc/82/91/64/562829164.db2.gz KRLKLPCPLFGFPL-UHFFFAOYSA-N 0 3 627.786 5.775 1 0 KKAFHN Brc1c2nc(NCCN3CCCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117199213 562829691 /nfs/dbraw/zinc/82/96/91/562829691.db2.gz MGBKBWCTCRIQSY-UHFFFAOYSA-N 0 3 559.926 5.511 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138529001 562832064 /nfs/dbraw/zinc/83/20/64/562832064.db2.gz UOYHHUKUSBEJQM-FDFHNCONSA-N 0 3 537.919 5.933 1 0 KKAFHN CCN1CCN([C@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138929115 562832280 /nfs/dbraw/zinc/83/22/80/562832280.db2.gz JVGNHFZOVWJKER-PMERELPUSA-N 0 3 533.680 5.468 1 0 KKAFHN Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(CN(C)C)cc5)c4)CC3)cn21 ZINC000139484703 562832510 /nfs/dbraw/zinc/83/25/10/562832510.db2.gz JAZLKGHXHRERHZ-ISILISOKSA-N 0 3 620.729 6.169 1 0 KKAFHN CCN(CC)CCc1nnc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)s1 ZINC000139659480 562832703 /nfs/dbraw/zinc/83/27/03/562832703.db2.gz LBVKYHDBATZZLG-UHFFFAOYSA-N 0 3 517.581 5.088 1 0 KKAFHN COc1cc(-c2nn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000140480882 562833094 /nfs/dbraw/zinc/83/30/94/562833094.db2.gz KNHHEGBUUFWWFF-DIVCQZSQSA-N 0 3 596.780 5.023 1 0 KKAFHN CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 ZINC000141047396 562833448 /nfs/dbraw/zinc/83/34/48/562833448.db2.gz UXAARJRUKXHTLY-UHFFFAOYSA-N 0 3 583.740 6.634 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000141191604 562833547 /nfs/dbraw/zinc/83/35/47/562833547.db2.gz KLLDXBZAQVSONJ-UHFFFAOYSA-N 0 3 563.706 5.060 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000141694433 562833732 /nfs/dbraw/zinc/83/37/32/562833732.db2.gz PZPLNOQYOFMMHL-UHFFFAOYSA-N 0 3 610.644 6.858 1 0 KKAFHN Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807930 562833785 /nfs/dbraw/zinc/83/37/85/562833785.db2.gz GXIQTOFJWLRYOF-IBGZPJMESA-N 0 3 507.667 5.706 1 0 KKAFHN C[C@@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000142004615 562833914 /nfs/dbraw/zinc/83/39/14/562833914.db2.gz PIQWOQHEODPFLM-UIOOFZCWSA-N 0 3 561.782 8.868 1 0 KKAFHN Cc1csc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)c1 ZINC000142205896 562834005 /nfs/dbraw/zinc/83/40/05/562834005.db2.gz QUVIJLUFZZROBR-NFBKMPQASA-N 0 3 525.523 5.320 1 0 KKAFHN COc1cc(C(=O)N[C@H]2CCCN(C3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143086974 562834573 /nfs/dbraw/zinc/83/45/73/562834573.db2.gz IGPIEMLVXSGTAA-QHCPKHFHSA-N 0 3 628.177 5.422 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145969234 562837835 /nfs/dbraw/zinc/83/78/35/562837835.db2.gz MROMILCKOGKKTN-UHFFFAOYSA-N 0 3 587.574 5.440 1 0 KKAFHN Cc1nc(-c2ccccc2)sc1CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 ZINC000146377790 562838504 /nfs/dbraw/zinc/83/85/04/562838504.db2.gz QWQYKXGWANPMRS-UHFFFAOYSA-N 0 3 505.643 7.033 1 0 KKAFHN CC(C)CC(C)(C)C[C@H]1N(C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147137113 562839130 /nfs/dbraw/zinc/83/91/30/562839130.db2.gz PIWKUUTZFWFIOL-RFHZMROGSA-N 0 3 608.582 5.111 1 0 KKAFHN CN1C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000147817874 562839745 /nfs/dbraw/zinc/83/97/45/562839745.db2.gz DZEQBPTXICASFA-SJLPKXTDSA-N 0 3 517.605 5.411 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148167063 562840394 /nfs/dbraw/zinc/84/03/94/562840394.db2.gz XWUSQMKBZCSJKA-UHFFFAOYSA-N 0 3 625.725 5.294 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OCC2CCCCC2)n1 ZINC000148464311 562841433 /nfs/dbraw/zinc/84/14/33/562841433.db2.gz CJDXKHSSBTYOGQ-UHFFFAOYSA-N 0 3 521.584 5.031 1 0 KKAFHN O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(F)c4)CC3)cc2N1 ZINC000148674071 562841619 /nfs/dbraw/zinc/84/16/19/562841619.db2.gz RUARTZMULZTFHQ-UHFFFAOYSA-N 0 3 526.656 5.695 1 0 KKAFHN COc1ccc(C)cc1CN1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148850578 562841886 /nfs/dbraw/zinc/84/18/86/562841886.db2.gz JLCSBEYIVBVEFV-QHCPKHFHSA-N 0 3 515.094 5.715 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000150591254 562846239 /nfs/dbraw/zinc/84/62/39/562846239.db2.gz LBTNVOYZSMLSOC-SAEMGGTISA-N 0 3 700.877 6.224 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)c(F)c3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000163556769 562849358 /nfs/dbraw/zinc/84/93/58/562849358.db2.gz SCNPIHNFDIZJRI-LOTCMDSXSA-N 0 3 631.507 5.768 1 0 KKAFHN Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCCOCC4)c3)CC2)cs1 ZINC000167323904 562850734 /nfs/dbraw/zinc/85/07/34/562850734.db2.gz AUNBWLAPOMPOPZ-MKPDMIMOSA-N 0 3 659.784 5.844 1 0 KKAFHN Cn1c2ccc(Oc3ccnc(NC(=O)C4CCN(C)CC4)c3)cc2nc1Nc1cccc(C(C)(C)C)c1 ZINC000167785853 562851058 /nfs/dbraw/zinc/85/10/58/562851058.db2.gz UFZLFECVKGGBOA-UHFFFAOYSA-N 0 3 512.658 6.082 1 0 KKAFHN c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312227 562855304 /nfs/dbraw/zinc/85/53/04/562855304.db2.gz BAFXUENWHNQFKY-PXJZQJOASA-N 0 3 500.664 6.464 1 0 KKAFHN C[NH+](C)CCCn1c(=O)c(CCCCCCN2CCN(c3cccc(Cl)c3)CC2)c([O-])c2ccccc21 ZINC000169319136 562856189 /nfs/dbraw/zinc/85/61/89/562856189.db2.gz OWRPCOONNYMSMY-MHZLTWQESA-N 0 3 525.137 5.210 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)ccc1[O-] ZINC000169321632 562856690 /nfs/dbraw/zinc/85/66/90/562856690.db2.gz VVZDAMSHHUSQQC-DHUJRADRSA-N 0 3 682.884 6.203 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN([C@H](C)c3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321682 562856725 /nfs/dbraw/zinc/85/67/25/562856725.db2.gz YQNYMXZOKWDFDZ-HSZRJFAPSA-N 0 3 560.673 7.295 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324441 562857371 /nfs/dbraw/zinc/85/73/71/562857371.db2.gz QYMLZRHRRKIIJF-UHFFFAOYSA-N 0 3 605.827 7.773 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169325207 562857557 /nfs/dbraw/zinc/85/75/57/562857557.db2.gz JZNCJJQQLROFJQ-UHFFFAOYSA-N 0 3 534.748 8.266 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334057 562859420 /nfs/dbraw/zinc/85/94/20/562859420.db2.gz PSHHPVBEOOCKRH-DEOSSOPVSA-N 0 3 609.438 8.746 1 0 KKAFHN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CCCC1 ZINC000169333986 562859428 /nfs/dbraw/zinc/85/94/28/562859428.db2.gz NYTRKORMFOLESR-QYTPMBOVSA-N 0 3 588.947 6.490 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334293 562859445 /nfs/dbraw/zinc/85/94/45/562859445.db2.gz JCAKUNXXBBAYBT-XMMPIXPASA-N 0 3 541.441 7.727 1 0 KKAFHN CCOCCN(CCOCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc21 ZINC000169334624 562859514 /nfs/dbraw/zinc/85/95/14/562859514.db2.gz DTKTXUBGUXHGPQ-SANMLTNESA-N 0 3 507.458 5.626 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3Nc3cnc(-c4ccccc4)cn3)c3c2c(Cl)ccc3O)CC1 ZINC000169347482 562861984 /nfs/dbraw/zinc/86/19/84/562861984.db2.gz LNQFVPAZVVASLK-UHFFFAOYSA-N 0 3 554.138 7.778 1 0 KKAFHN COC(=O)c1ccc([O-])c2c1C1(CN2c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[NH+](CC(C)(C)C)CC1 ZINC000169348368 562862167 /nfs/dbraw/zinc/86/21/67/562862167.db2.gz BEVLLXJNRJKQHJ-UHFFFAOYSA-N 0 3 626.676 7.253 1 0 KKAFHN CN(C)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696794 562866378 /nfs/dbraw/zinc/86/63/78/562866378.db2.gz PKNHUPGZFBLNGU-AREMUKBSSA-N 0 3 500.668 6.126 1 0 KKAFHN CCOC(=O)[C@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700221 562867594 /nfs/dbraw/zinc/86/75/94/562867594.db2.gz KVGPVCYSGPUFTJ-FQCWUYQVSA-N 0 3 598.578 5.583 1 0 KKAFHN CC(=O)Oc1cccc(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702054 562868161 /nfs/dbraw/zinc/86/81/61/562868161.db2.gz VICCPXIMFPISQJ-DEOSSOPVSA-N 0 3 529.077 5.323 1 0 KKAFHN CC[C@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(OCCN4CCCC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702177 562868199 /nfs/dbraw/zinc/86/81/99/562868199.db2.gz LPSQVIVROHUSMB-VWLOTQADSA-N 0 3 538.696 5.744 1 0 KKAFHN CCOc1cc(C[NH+]2CCC3(CN(c4cncc([O-])c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702634 562868457 /nfs/dbraw/zinc/86/84/57/562868457.db2.gz CSDQPSKKHPQCBH-UHFFFAOYSA-N 0 3 521.589 5.382 1 0 KKAFHN CCOc1cc(CN2CCC3(CN(c4cncc(O)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702634 562868458 /nfs/dbraw/zinc/86/84/58/562868458.db2.gz CSDQPSKKHPQCBH-UHFFFAOYSA-N 0 3 521.589 5.382 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(C)c2N(C)C(C)=O)n1 ZINC000169703988 562868933 /nfs/dbraw/zinc/86/89/33/562868933.db2.gz VXWOTYGJLIQDHS-UHFFFAOYSA-N 0 3 586.615 5.155 1 0 KKAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CC)C3)cc2)c1 ZINC000169711516 562870981 /nfs/dbraw/zinc/87/09/81/562870981.db2.gz LNEOPFXCRJWSOT-UHFFFAOYSA-N 0 3 557.651 5.103 1 0 KKAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711620 562871133 /nfs/dbraw/zinc/87/11/33/562871133.db2.gz UEWJORGRHZQRHV-UHFFFAOYSA-N 0 3 571.678 5.493 1 0 KKAFHN Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)C)c4CN4CCN(C(C)(C)C)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204430381 562874504 /nfs/dbraw/zinc/87/45/04/562874504.db2.gz NZPVNHMXVIPKML-UHFFFAOYSA-N 0 3 571.774 5.451 1 0 KKAFHN COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1 ZINC000207280890 562876696 /nfs/dbraw/zinc/87/66/96/562876696.db2.gz IAKYDYYOYGXWAX-UHFFFAOYSA-N 0 3 506.090 6.014 1 0 KKAFHN COCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C ZINC000213801823 562877217 /nfs/dbraw/zinc/87/72/17/562877217.db2.gz VKSHQYSRUGRAHY-SOFGYWHQSA-N 0 3 563.058 5.082 1 0 KKAFHN COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 ZINC000214018947 562877292 /nfs/dbraw/zinc/87/72/92/562877292.db2.gz PBUHNKLFJPQTHB-AATRIKPKSA-N 0 3 514.001 5.172 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(N5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000215726746 562877433 /nfs/dbraw/zinc/87/74/33/562877433.db2.gz XGXVGFZTWNLTLI-UHFFFAOYSA-N 0 3 535.088 5.078 1 0 KKAFHN CN1CCN(CCCOc2ccc([C@H]3O[C@H](c4ccccc4Cl)[C@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000253656010 562882657 /nfs/dbraw/zinc/88/26/57/562882657.db2.gz ONCHPBKAGOWLIQ-WLNZHLEZSA-N 0 3 527.492 6.538 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(O)c1 ZINC000299826347 562883836 /nfs/dbraw/zinc/88/38/36/562883836.db2.gz ZFUPGKJAMGNYNJ-UHFFFAOYSA-N 0 3 508.618 6.460 1 0 KKAFHN Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(NCCN(C)C)n1 ZINC000299836246 562887077 /nfs/dbraw/zinc/88/70/77/562887077.db2.gz MZOBZDVFDCQUAV-UHFFFAOYSA-N 0 3 530.636 6.386 1 0 KKAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855113 562891634 /nfs/dbraw/zinc/89/16/34/562891634.db2.gz DEYKOEXQQNSWIG-RUZDIDTESA-N 0 3 539.164 5.145 1 0 KKAFHN O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 ZINC000299858297 562892449 /nfs/dbraw/zinc/89/24/49/562892449.db2.gz DOWMDQVQVVIGRQ-DHUJRADRSA-N 0 3 578.801 6.002 1 0 KKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1ccc(C(=O)Nc3ccccc3N)cc1)CC2 ZINC000299859134 562892618 /nfs/dbraw/zinc/89/26/18/562892618.db2.gz HOJQCQBLATVWAW-SANMLTNESA-N 0 3 581.669 5.360 1 0 KKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863848 562893940 /nfs/dbraw/zinc/89/39/40/562893940.db2.gz LRIVUPRHLMQOGF-OJWOXQGASA-N 0 3 606.166 6.980 1 0 KKAFHN CN(C)Cc1cc2ccccc2n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 ZINC000299868025 562895026 /nfs/dbraw/zinc/89/50/26/562895026.db2.gz ZGBZVZGVZSDULH-NRFANRHFSA-N 0 3 509.031 5.162 1 0 KKAFHN O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCCn2c3ccccc3sc2=O)CC1 ZINC000473083138 562896782 /nfs/dbraw/zinc/89/67/82/562896782.db2.gz MOXZXTRBGJTDDX-UHFFFAOYSA-N 0 3 538.783 5.488 1 0 KKAFHN CN(CCN1CCCC1)C(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000473086217 562897035 /nfs/dbraw/zinc/89/70/35/562897035.db2.gz HEERRBPBDDCWTG-UHFFFAOYSA-N 0 3 609.598 5.772 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](Cc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000473088672 562897353 /nfs/dbraw/zinc/89/73/53/562897353.db2.gz PHDAIHPODSWMSQ-MGBGTMOVSA-N 0 3 659.835 5.960 1 0 KKAFHN Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccc(O)cc3)N2CCc2ccccc2)cc1 ZINC000473097929 562897963 /nfs/dbraw/zinc/89/79/63/562897963.db2.gz DRTBLPHNDVXELL-AFEGWXKPSA-N 0 3 584.764 5.661 1 0 KKAFHN COc1ccccc1CN(C)CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473112294 562898650 /nfs/dbraw/zinc/89/86/50/562898650.db2.gz DJLLGHHQTWRGFO-UHFFFAOYSA-N 0 3 533.621 5.785 1 0 KKAFHN COc1cc2oc(-c3ccc(OCCCCN4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114035 562898887 /nfs/dbraw/zinc/89/88/87/562898887.db2.gz LNASBBXMSDPABY-UHFFFAOYSA-N 0 3 558.675 5.463 1 0 KKAFHN COc1ccccc1CN(C)CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473116237 562899118 /nfs/dbraw/zinc/89/91/18/562899118.db2.gz VVXREPJRHYMKAQ-UHFFFAOYSA-N 0 3 519.594 5.395 1 0 KKAFHN CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OCCN4CCCCC4)c(F)c3)cc2)cn1 ZINC000473135254 562900660 /nfs/dbraw/zinc/90/06/60/562900660.db2.gz NBWSYMFQBCGBDR-UHFFFAOYSA-N 0 3 533.648 6.381 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473146631 562901338 /nfs/dbraw/zinc/90/13/38/562901338.db2.gz CSLMOZNRVLKZJP-BHVANESWSA-N 0 3 587.805 6.828 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473146017 562901344 /nfs/dbraw/zinc/90/13/44/562901344.db2.gz CFKPVXGCGGKCOM-UMSFTDKQSA-N 0 3 578.197 7.082 1 0 KKAFHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc43)ccc21 ZINC000473152679 562901842 /nfs/dbraw/zinc/90/18/42/562901842.db2.gz VDUSIGSQGZWLMD-IOWSJCHKSA-N 0 3 521.661 5.237 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152735 562901876 /nfs/dbraw/zinc/90/18/76/562901876.db2.gz VVKDAPKAJJSSNM-UUWRZZSWSA-N 0 3 559.751 6.047 1 0 KKAFHN C[NH+](C)[C@H]1CCN(C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159176 562902620 /nfs/dbraw/zinc/90/26/20/562902620.db2.gz NIOXRINDLTWWCL-IGKWTDBASA-N 0 3 581.588 6.535 1 0 KKAFHN COc1ccc(CN2c3ccccc3/C(=C(\c3ccc([O-])cc3)c3ccc(OCCC[NH3+])cc3)C2=O)cc1 ZINC000473167934 562903041 /nfs/dbraw/zinc/90/30/41/562903041.db2.gz IRIUKJXQUVKOGQ-KTMFPKCZSA-N 0 3 506.602 5.634 1 0 KKAFHN CC(=O)c1cnc2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC000473183042 562903564 /nfs/dbraw/zinc/90/35/64/562903564.db2.gz KJDUYBFBDHLXHW-JBACZVJFSA-N 0 3 541.523 5.851 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC[C@H]4CC[C@H]([NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000473200839 562903815 /nfs/dbraw/zinc/90/38/15/562903815.db2.gz FFUJBEXHRRHCRE-CYWCHRQTSA-N 0 3 508.062 5.816 1 0 KKAFHN Cc1oncc1CN(C(=O)CC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=N)C1CCCCC1 ZINC000473233237 562904453 /nfs/dbraw/zinc/90/44/53/562904453.db2.gz QCHQOBGIUWWBLB-MGBGTMOVSA-N 0 3 583.777 8.028 1 0 KKAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000653686911 562906500 /nfs/dbraw/zinc/90/65/00/562906500.db2.gz JICNGABIBGCQGR-UHFFFAOYSA-N 0 3 511.626 5.807 1 0 KKAFHN CCCNC(=O)C1CCN(C(=O)c2c(CN[C@@H](C)c3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786100 562912438 /nfs/dbraw/zinc/91/24/38/562912438.db2.gz SHJNFTLAWBDTQH-QHCPKHFHSA-N 0 3 572.775 5.989 1 0 KKAFHN O=C(Nc1cccc(CN2CCCC2)c1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653795647 562913075 /nfs/dbraw/zinc/91/30/75/562913075.db2.gz NHSBSYVZYBPKGI-UHFFFAOYSA-N 0 3 506.532 6.632 1 0 KKAFHN Cc1ccc(-c2nnc(-c3ccc(CN4CCN(C)CC4)cc3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653806056 562913674 /nfs/dbraw/zinc/91/36/74/562913674.db2.gz KDZFJOUWSWBVDR-UHFFFAOYSA-N 0 3 518.625 5.055 1 0 KKAFHN O=c1c(=O)c(N[C@@H]2CCCC[C@H]2N2CCCC2)c1Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc21 ZINC000653850169 562915474 /nfs/dbraw/zinc/91/54/74/562915474.db2.gz NCNLKHOKOYDZAG-XNMGPUDCSA-N 0 3 531.656 6.524 1 0 KKAFHN CN1CCN(Cc2cccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)c2)CC1 ZINC000653852942 562915617 /nfs/dbraw/zinc/91/56/17/562915617.db2.gz QRIXAJZFVNJQLI-UHFFFAOYSA-N 0 3 510.682 5.455 1 0 KKAFHN O=C(NCCN1CCCCC1)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 ZINC000653857911 562915816 /nfs/dbraw/zinc/91/58/16/562915816.db2.gz ADFNBVCUNARPQJ-UHFFFAOYSA-N 0 3 549.050 6.352 1 0 KKAFHN Fc1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653874619 562916576 /nfs/dbraw/zinc/91/65/76/562916576.db2.gz PACAPUHORPYHJT-DEOSSOPVSA-N 0 3 509.075 6.744 1 0 KKAFHN O=C(NCCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917630 /nfs/dbraw/zinc/91/76/30/562917630.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 0 3 519.652 5.770 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653915949 562917851 /nfs/dbraw/zinc/91/78/51/562917851.db2.gz FACHTCSYYAXJQX-UHFFFAOYSA-N 0 3 611.678 5.024 1 0 KKAFHN COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454270 565119490 /nfs/dbraw/zinc/11/94/90/565119490.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 0 3 608.735 6.859 1 0 biogenic,in-vitro KKAFHN CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592906 565148957 /nfs/dbraw/zinc/14/89/57/565148957.db2.gz KKKHJCLOUWJPHK-XINJQZJUSA-N 0 3 633.782 5.612 1 0 biogenic,in-vitro KKAFHN CC[C@@H](O)NCC1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595763 565154097 /nfs/dbraw/zinc/15/40/97/565154097.db2.gz YGUDNCVQEYLALF-BWFFVIMGSA-N 0 3 609.760 5.634 1 0 biogenic,in-vitro KKAFHN COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](CN1C)C3)[C@H](Cc1ccccc1O)N(C)CC2 ZINC000095485886 565173610 /nfs/dbraw/zinc/17/36/10/565173610.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 0 3 650.816 6.472 1 0 biogenic,in-vitro KKAFHN CCC1C=C(c2cccc(CCc3c(OCCCO)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc([O-])cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000150350030 565202484 /nfs/dbraw/zinc/20/24/84/565202484.db2.gz NDDILHVUQJNYOA-UHFFFAOYSA-N 0 3 696.821 5.235 1 0 biogenic,in-vitro KKAFHN CNCO[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592803 291952713 /nfs/dbraw/zinc/95/27/13/291952713.db2.gz JYEHXVFNOXVZAF-XVIZVUCFSA-N 0 3 791.938 8.325 1 0 biogenic,in-vitro KKAFHN COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3Cl)=CN21 ZINC000001546523 561677300 /nfs/dbraw/zinc/67/73/00/561677300.db2.gz HDWTUYRDCPHOSH-QHCPKHFHSA-N 0 3 518.466 5.839 1 0 KKAFHN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCN4CCCCC4)cc3)nc21 ZINC000003815491 561682919 /nfs/dbraw/zinc/68/29/19/561682919.db2.gz WQDGYGJFEUAXKW-UHFFFAOYSA-N 0 3 524.452 5.911 1 0 KKAFHN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCN(C)Cc2ccccc2)C1 ZINC000003915807 561684737 /nfs/dbraw/zinc/68/47/37/561684737.db2.gz UVOURRFWHVVQKI-QNGWXLTQSA-N 0 3 668.927 7.324 1 0 KKAFHN CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000003918823 561685435 /nfs/dbraw/zinc/68/54/35/561685435.db2.gz OEKMGABCSLYWOP-PGUFJCEWSA-N 0 3 625.806 8.519 1 0 KKAFHN CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000003965926 561691567 /nfs/dbraw/zinc/69/15/67/561691567.db2.gz VTTUVOLMPNOBRT-KDXMTYKHSA-N 0 3 612.774 6.583 1 0 KKAFHN CN(C)C[C@@H](O)COc1ccc(Nc2ncc(Br)c(N(CCCC(F)(F)F)c3ccccc3)n2)cc1 ZINC000003966475 561691675 /nfs/dbraw/zinc/69/16/75/561691675.db2.gz OHDQHRAKDCCIMS-HXUWFJFHSA-N 0 3 568.438 5.765 1 0 KKAFHN CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1 ZINC000003979643 561692412 /nfs/dbraw/zinc/69/24/12/561692412.db2.gz GWRAMEHAFVFMCA-HHHXNRCGSA-N 0 3 596.509 6.356 1 0 KKAFHN COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3Cl)=CN21 ZINC000004425222 561694998 /nfs/dbraw/zinc/69/49/98/561694998.db2.gz HDWTUYRDCPHOSH-HSZRJFAPSA-N 0 3 518.466 5.839 1 0 KKAFHN CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1 ZINC000013452618 561713504 /nfs/dbraw/zinc/71/35/04/561713504.db2.gz RVVWDYHZWLAHCI-UHFFFAOYSA-N 0 3 520.764 7.530 1 0 KKAFHN Cc1ccc(CN2CCC(CNC(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008596535 561706057 /nfs/dbraw/zinc/70/60/57/561706057.db2.gz BULBENCNASTUFQ-UHFFFAOYSA-N 0 3 606.211 6.591 1 0 KKAFHN COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000013448549 561713363 /nfs/dbraw/zinc/71/33/63/561713363.db2.gz ARMCHIDXFRTTKY-UHFFFAOYSA-N 0 3 515.629 5.138 1 0 KKAFHN Cc1c(-c2cccc(C(C)C)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559584 561719457 /nfs/dbraw/zinc/71/94/57/561719457.db2.gz QJZBHXNXKAYBKF-UHFFFAOYSA-N 0 3 532.635 5.005 1 0 KKAFHN CCCN(Cc1sc(N(CC)c2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587346 561720646 /nfs/dbraw/zinc/72/06/46/561720646.db2.gz JOIHMLYSQJHWLB-UHFFFAOYSA-N 0 3 518.487 7.828 1 0 KKAFHN COc1cc(OC)c([C@H](CCN2CCCCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013660993 561723381 /nfs/dbraw/zinc/72/33/81/561723381.db2.gz VTBZFOHHWKFOOG-HSZRJFAPSA-N 0 3 527.617 6.214 3 0 KKAFHN O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013661704 561723597 /nfs/dbraw/zinc/72/35/97/561723597.db2.gz VBTKCUFWEXQSPZ-AREMUKBSSA-N 0 3 509.513 6.060 3 0 KKAFHN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(CN(CC)CC)cc2)[C@H]1O ZINC000013673022 561723749 /nfs/dbraw/zinc/72/37/49/561723749.db2.gz KQBOBSOAALSFNB-LOYHVIPDSA-N 0 3 528.803 6.241 1 0 KKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675646 561724034 /nfs/dbraw/zinc/72/40/34/561724034.db2.gz FHBDDQZHQPRYJX-UHFFFAOYSA-N 0 3 517.117 7.360 1 0 KKAFHN O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000013782637 561729907 /nfs/dbraw/zinc/72/99/07/561729907.db2.gz BMFXKJVYUBXLFG-UHFFFAOYSA-N 0 3 512.053 5.484 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819429 561732519 /nfs/dbraw/zinc/73/25/19/561732519.db2.gz SUKMVMFONPSNRM-DCMFLLSESA-N 0 3 502.743 6.470 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819429 561732521 /nfs/dbraw/zinc/73/25/21/561732521.db2.gz SUKMVMFONPSNRM-DCMFLLSESA-N 0 3 502.743 6.470 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@H](c2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 ZINC000013824897 561732756 /nfs/dbraw/zinc/73/27/56/561732756.db2.gz NMHBRYQBDQAZRP-SSEXGKCCSA-N 0 3 511.584 6.628 1 0 KKAFHN Cc1cc2c(sc(-c3ccc(O)cc3)c2C(=O)c2ccc(OCCN3CCCCC3)cc2)c(C)c1O ZINC000013834298 561734100 /nfs/dbraw/zinc/73/41/00/561734100.db2.gz OGPYVSISEZHRFQ-UHFFFAOYSA-N 0 3 501.648 6.692 1 0 KKAFHN CN(C)C[C@@H](O)COc1ccc(Nc2nccc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945879 561743363 /nfs/dbraw/zinc/74/33/63/561743363.db2.gz QTWWPQCPRVZKCB-HSZRJFAPSA-N 0 3 538.479 6.167 1 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)CCCC1 ZINC000014946311 561743468 /nfs/dbraw/zinc/74/34/68/561743468.db2.gz VPKBEAWMABSKGC-UHFFFAOYSA-N 0 3 575.628 9.712 1 0 KKAFHN Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1 ZINC000014958012 561748044 /nfs/dbraw/zinc/74/80/44/561748044.db2.gz ZUHYQEOCWOQRFV-UHFFFAOYSA-N 0 3 526.648 6.091 1 0 KKAFHN Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[n-]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014958012 561748047 /nfs/dbraw/zinc/74/80/47/561748047.db2.gz ZUHYQEOCWOQRFV-UHFFFAOYSA-N 0 3 526.648 6.091 1 0 KKAFHN c1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1 ZINC000014958008 561748078 /nfs/dbraw/zinc/74/80/78/561748078.db2.gz BUDCDMBOPKDELH-UHFFFAOYSA-N 0 3 512.621 5.783 1 0 KKAFHN c1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[n-]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014958008 561748080 /nfs/dbraw/zinc/74/80/80/561748080.db2.gz BUDCDMBOPKDELH-UHFFFAOYSA-N 0 3 512.621 5.783 1 0 KKAFHN CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OCc1ccccc1 ZINC000014960866 561748452 /nfs/dbraw/zinc/74/84/52/561748452.db2.gz UIOVGRXEBWMUQT-LJAQVGFWSA-N 0 3 542.705 5.270 1 0 KKAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 ZINC000014970539 561751099 /nfs/dbraw/zinc/75/10/99/561751099.db2.gz ZYAIAJWIMAJKGE-IOWSJCHKSA-N 0 3 562.718 5.144 1 0 KKAFHN COc1cc(OC)c([C@@H](CCN2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545731 561756000 /nfs/dbraw/zinc/75/60/00/561756000.db2.gz KOKPKPUDWNASTD-HKBQPEDESA-N 0 3 603.763 6.887 3 0 KKAFHN COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545812 561756033 /nfs/dbraw/zinc/75/60/33/561756033.db2.gz SCRRLRZNYGLGNP-JHOUSYSJSA-N 0 3 635.805 6.564 3 0 KKAFHN COc1cc(OC)c([C@@H](CCN2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(C)c12 ZINC000017545827 561756163 /nfs/dbraw/zinc/75/61/63/561756163.db2.gz RUGOEWKUIVRDKO-DEOSSOPVSA-N 0 3 542.632 5.192 3 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449793 561759238 /nfs/dbraw/zinc/75/92/38/561759238.db2.gz JGAMGZZJGJQWBX-SVBPBHIXSA-N 0 3 553.747 5.995 1 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 ZINC000022452176 561759490 /nfs/dbraw/zinc/75/94/90/561759490.db2.gz NICLGLCYSXNRKC-UHFFFAOYSA-N 0 3 509.698 6.096 1 0 KKAFHN COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c(OC)c1 ZINC000022924677 561759512 /nfs/dbraw/zinc/75/95/12/561759512.db2.gz DSIODFVVJVFOFI-UHFFFAOYSA-N 0 3 511.666 6.089 1 0 KKAFHN Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 ZINC000022927072 561759928 /nfs/dbraw/zinc/75/99/28/561759928.db2.gz UMOFYSFQZJYWNT-RXVVDRJESA-N 0 3 517.640 5.183 1 0 KKAFHN COc1ccccc1[C@H](CNC(=O)Cc1ccccc1C(F)(F)F)N1CCN(C2CCCCC2)CC1 ZINC000022940860 561761037 /nfs/dbraw/zinc/76/10/37/561761037.db2.gz AKHKAZRGQQPVBT-VWLOTQADSA-N 0 3 503.609 5.064 1 0 KKAFHN CN1CCN(Cc2ccccc2-c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc6onc(N)c6c5)c4C3=O)cc2)CC1 ZINC000023358138 561761985 /nfs/dbraw/zinc/76/19/85/561761985.db2.gz ASRYKRVWPDUVJA-UHFFFAOYSA-N 0 3 601.633 5.232 1 0 KKAFHN CN(C)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000023359301 561762178 /nfs/dbraw/zinc/76/21/78/561762178.db2.gz QDKKSLVXVLBPRN-UHFFFAOYSA-N 0 3 539.916 6.206 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007824 561765758 /nfs/dbraw/zinc/76/57/58/561765758.db2.gz SFPOPEFEUFHEAX-UHFFFAOYSA-N 0 3 661.165 7.385 1 0 KKAFHN CCc1cn(CC(=O)N(CCN(CC)CC)Cc2ccc(-c3ccc(Cl)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O ZINC000026012403 561765937 /nfs/dbraw/zinc/76/59/37/561765937.db2.gz DDUPDZLICFQTTM-UHFFFAOYSA-N 0 3 621.222 6.928 1 0 KKAFHN COc1ccc(C[C@@H](CN[C@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168224 561769561 /nfs/dbraw/zinc/76/95/61/561769561.db2.gz JLQYRBBOFMIMNP-QPPBQGQZSA-N 0 3 504.652 5.097 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026247808 561773584 /nfs/dbraw/zinc/77/35/84/561773584.db2.gz HTWLSEXOVXEWKJ-UHFFFAOYSA-N 0 3 525.693 5.045 1 0 KKAFHN CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1C(=O)c1ccc2c(c1OC)OCO2 ZINC000026250851 561774147 /nfs/dbraw/zinc/77/41/47/561774147.db2.gz ZGTFYUUHNMVNKA-FEMYRPFKSA-N 0 3 686.795 6.020 1 0 KKAFHN COc1ccc([C@H](CCCCCN2CCc3cc4c(cc3C2)OCO4)Sc2ccc(C)cc2)cc1OC ZINC000026259137 561775261 /nfs/dbraw/zinc/77/52/61/561775261.db2.gz ZIDJRRPIOJNLKD-HKBQPEDESA-N 0 3 519.707 7.193 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCC[C@H](Sc1ccc(C)cc1)c1ccc3c(c1)OCO3)CC2 ZINC000026270507 561777168 /nfs/dbraw/zinc/77/71/68/561777168.db2.gz JAPKDYAEBPSGFI-HKBQPEDESA-N 0 3 519.707 7.193 1 0 KKAFHN COc1ccc([C@H](CCCCCCN2CCc3cc(OC)c(OC)c(OC)c3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271229 561777283 /nfs/dbraw/zinc/77/72/83/561777283.db2.gz KLIWAWKHWKQIAF-YTTGMZPUSA-N 0 3 579.803 7.880 1 0 KKAFHN COc1ccc([C@H](CCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271339 561777340 /nfs/dbraw/zinc/77/73/40/561777340.db2.gz HCJPKEPIBGVGBG-YTTGMZPUSA-N 0 3 535.750 7.482 1 0 KKAFHN CC[C@](CCCCCN1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026283542 561779462 /nfs/dbraw/zinc/77/94/62/561779462.db2.gz FUXGUCORRPMWFN-UUWRZZSWSA-N 0 3 563.804 8.046 1 0 KKAFHN COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCCN3CCCC3)cc2)ccc1NCc1ccccc1 ZINC000026398143 561787604 /nfs/dbraw/zinc/78/76/04/561787604.db2.gz OUYUVZWXCYSCSW-UHFFFAOYSA-N 0 3 548.687 6.553 1 0 KKAFHN Cc1cc(OCCCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026472788 561790706 /nfs/dbraw/zinc/79/07/06/561790706.db2.gz UKLCFUDFXSOVFG-UHFFFAOYSA-N 0 3 514.754 7.444 1 0 KKAFHN Cc1cc(OCCCCCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026486147 561792485 /nfs/dbraw/zinc/79/24/85/561792485.db2.gz SMIZOUGJMPTYEG-UHFFFAOYSA-N 0 3 542.808 8.224 1 0 KKAFHN COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496312 561794478 /nfs/dbraw/zinc/79/44/78/561794478.db2.gz RNKVVXJENIMACX-MUUNZHRXSA-N 0 3 555.785 5.594 1 0 KKAFHN CCCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026505349 561796431 /nfs/dbraw/zinc/79/64/31/561796431.db2.gz ULYSBKOLJAVXSU-MVSFAKPFSA-N 0 3 590.834 6.128 1 0 KKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCCCN1CCN(C)CC1 ZINC000026576334 561800085 /nfs/dbraw/zinc/80/00/85/561800085.db2.gz ZXBPJUYRBLIWDN-UHFFFAOYSA-N 0 3 565.806 7.657 1 0 KKAFHN COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026577113 561800955 /nfs/dbraw/zinc/80/09/55/561800955.db2.gz SMKCWLRQAIMCBO-UHFFFAOYSA-N 0 3 614.762 5.482 1 0 KKAFHN O=C(OC[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000026579148 561804173 /nfs/dbraw/zinc/80/41/73/561804173.db2.gz BHTTVKSUOKJDOR-MBXDFBHOSA-N 0 3 542.528 6.479 1 0 KKAFHN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCN2C(=O)c3cccc4c(N(C)C)ccc(c43)C2=O)CC1 ZINC000026579699 561805082 /nfs/dbraw/zinc/80/50/82/561805082.db2.gz QTLDMCSKGVVWBL-UHFFFAOYSA-N 0 3 607.151 5.485 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026580206 561805606 /nfs/dbraw/zinc/80/56/06/561805606.db2.gz DKYFMNJPZUVNFV-HYAJJASKSA-N 0 3 555.571 6.394 1 0 KKAFHN COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026660736 561810339 /nfs/dbraw/zinc/81/03/39/561810339.db2.gz ZJPBKRIGNVZFLN-HHHXNRCGSA-N 0 3 541.758 5.204 1 0 KKAFHN COc1cc2ccccc2c(C(=O)N(C)C[C@@H](CCN2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026664375 561810919 /nfs/dbraw/zinc/81/09/19/561810919.db2.gz QCACJCBWIPGWER-FVAKWTEMSA-N 0 3 637.673 8.018 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672434 561812702 /nfs/dbraw/zinc/81/27/02/561812702.db2.gz NYMHTAUWRGVXEZ-UHFFFAOYSA-N 0 3 508.066 5.013 1 0 KKAFHN COc1ccc([C@@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3ccccc3)C2)cc1OC ZINC000026672188 561812768 /nfs/dbraw/zinc/81/27/68/561812768.db2.gz IYGHJULMISLCJX-RWYGWLOXSA-N 0 3 674.817 7.010 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccncc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674623 561813591 /nfs/dbraw/zinc/81/35/91/561813591.db2.gz KUAJFMGQGXJNCK-VQJSHJPSSA-N 0 3 687.841 6.274 1 0 KKAFHN COC(=O)c1ccc(Cn2c3ccccc3nc2C(=O)C2CCN(CC[C@]3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 ZINC000026716823 561814320 /nfs/dbraw/zinc/81/43/20/561814320.db2.gz WYLMUYOKAITMJI-SJARJILFSA-N 0 3 744.889 6.666 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCN(c3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719699 561814929 /nfs/dbraw/zinc/81/49/29/561814929.db2.gz TZJKQRDXRIXPCK-UHFFFAOYSA-N 0 3 569.153 6.378 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(F)cc3F)C2)cc(OC)c1OC ZINC000026721404 561815353 /nfs/dbraw/zinc/81/53/53/561815353.db2.gz PVOZTVLKZYEWDB-HUESYALOSA-N 0 3 740.823 7.297 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000026726922 561816072 /nfs/dbraw/zinc/81/60/72/561816072.db2.gz RCZXTMTXMHGQDY-GASCZTMLSA-N 0 3 501.077 5.399 1 0 KKAFHN CC(C)([NH3+])CCS[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026826579 561822067 /nfs/dbraw/zinc/82/20/67/561822067.db2.gz DYQSKNXPPMLAQL-AREMUKBSSA-N 0 3 512.683 5.242 1 0 KKAFHN CC(C)([NH3+])CCS[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026826579 561822068 /nfs/dbraw/zinc/82/20/68/561822068.db2.gz DYQSKNXPPMLAQL-AREMUKBSSA-N 0 3 512.683 5.242 1 0 KKAFHN COc1c(C(C)(C)C)cc([C@H]2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C ZINC000026836308 561824342 /nfs/dbraw/zinc/82/43/42/561824342.db2.gz WEGQVYKRFYKPBT-GDLZYMKVSA-N 0 3 556.769 5.994 1 0 KKAFHN O=S(=O)(c1cccs1)N1C[C@@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026844269 561826192 /nfs/dbraw/zinc/82/61/92/561826192.db2.gz MDZZMKUJQUEUHZ-KAYWLYCHSA-N 0 3 524.752 5.002 1 0 KKAFHN N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000026935162 561827419 /nfs/dbraw/zinc/82/74/19/561827419.db2.gz LCIHAEIDPNKLAE-FCHUYYIVSA-N 0 3 520.696 6.729 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)s2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026955800 561829246 /nfs/dbraw/zinc/82/92/46/561829246.db2.gz UOJXXQBDFKUWIB-MHZLTWQESA-N 0 3 569.735 5.237 1 0 KKAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)s2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026955800 561829247 /nfs/dbraw/zinc/82/92/47/561829247.db2.gz UOJXXQBDFKUWIB-MHZLTWQESA-N 0 3 569.735 5.237 1 0 KKAFHN CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836654 /nfs/dbraw/zinc/83/66/54/561836654.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 0 3 572.769 6.240 1 0 KKAFHN CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836656 /nfs/dbraw/zinc/83/66/56/561836656.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 0 3 572.769 6.240 1 0 KKAFHN CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836658 /nfs/dbraw/zinc/83/66/58/561836658.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 0 3 572.769 6.240 1 0 KKAFHN CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836660 /nfs/dbraw/zinc/83/66/60/561836660.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 0 3 572.769 6.240 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105863 561840157 /nfs/dbraw/zinc/84/01/57/561840157.db2.gz WUFGLRYZWOUQQM-PMERELPUSA-N 0 3 679.306 5.419 1 0 KKAFHN CC[NH+](CC)CCOc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000027416772 561857196 /nfs/dbraw/zinc/85/71/96/561857196.db2.gz HVWJVGHTKLDAGJ-MGBGTMOVSA-N 0 3 573.697 5.750 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1F ZINC000027547125 561867077 /nfs/dbraw/zinc/86/70/77/561867077.db2.gz ZOBKHHUMXIJHCW-GDLZYMKVSA-N 0 3 567.677 5.564 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000027550853 561867868 /nfs/dbraw/zinc/86/78/68/561867868.db2.gz BVILLZIQPZNAQJ-YTTGMZPUSA-N 0 3 601.694 6.094 1 0 KKAFHN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000027634149 561874167 /nfs/dbraw/zinc/87/41/67/561874167.db2.gz YELUHHBMJJFGFG-UHFFFAOYSA-N 0 3 572.157 5.276 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(F)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027705917 561878775 /nfs/dbraw/zinc/87/87/75/561878775.db2.gz MBBCYKHIQWQOPP-UHFFFAOYSA-N 0 3 604.682 6.497 1 0 KKAFHN O=C(/C=C/c1cncc(Br)c1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027657495 561878019 /nfs/dbraw/zinc/87/80/19/561878019.db2.gz BWGZMJNMJCYAAY-BUHFOSPRSA-N 0 3 533.514 5.161 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccoc3)cc1)CC2 ZINC000027657563 561878043 /nfs/dbraw/zinc/87/80/43/561878043.db2.gz NNMKTRRPXURKFQ-UHFFFAOYSA-N 0 3 525.605 5.402 1 0 KKAFHN N=C1NC(=N)N(c2cccc(Cl)c2)[C@@H](c2cccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)c2)N1 ZINC000027732640 561881376 /nfs/dbraw/zinc/88/13/76/561881376.db2.gz JGKAPLMXNSTCCA-QFIPXVFZSA-N 0 3 553.277 6.296 1 0 KKAFHN O=C(Nc1ccc(Oc2cccc(C(=O)NCCN3CCCCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000027880302 561889008 /nfs/dbraw/zinc/88/90/08/561889008.db2.gz LVGIARZZJHBXQJ-UHFFFAOYSA-N 0 3 561.004 7.011 1 0 KKAFHN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027884675 561889320 /nfs/dbraw/zinc/88/93/20/561889320.db2.gz FPYIMCLXYPKJRQ-SSEXGKCCSA-N 0 3 558.616 6.280 1 0 KKAFHN COc1cc(C(=O)N2CO[C@](CCN3CCC(C(=O)c4ccc(Cl)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028000672 561894704 /nfs/dbraw/zinc/89/47/04/561894704.db2.gz NXOMERQYHOVJFN-XIFFEERXSA-N 0 3 662.010 6.983 1 0 KKAFHN COc1cc2c(cc1OCCNCCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1F ZINC000028005244 561895305 /nfs/dbraw/zinc/89/53/05/561895305.db2.gz GLHJMXRTDQUEOS-UHFFFAOYSA-N 0 3 519.617 6.177 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C1CCCCC1 ZINC000028005534 561895479 /nfs/dbraw/zinc/89/54/79/561895479.db2.gz SXGHLCHUQYYTLS-VMPREFPWSA-N 0 3 549.756 5.527 1 0 KKAFHN CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007693 561895793 /nfs/dbraw/zinc/89/57/93/561895793.db2.gz RWVHBGCCFQXQBP-XNLCPIGASA-N 0 3 626.842 5.966 1 0 KKAFHN CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007693 561895795 /nfs/dbraw/zinc/89/57/95/561895795.db2.gz RWVHBGCCFQXQBP-XNLCPIGASA-N 0 3 626.842 5.966 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897314 /nfs/dbraw/zinc/89/73/14/561897314.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 0 3 540.752 5.929 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897315 /nfs/dbraw/zinc/89/73/15/561897315.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 0 3 540.752 5.929 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897317 /nfs/dbraw/zinc/89/73/17/561897317.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 0 3 540.752 5.929 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897319 /nfs/dbraw/zinc/89/73/19/561897319.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 0 3 540.752 5.929 1 0 KKAFHN CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000028090055 561899865 /nfs/dbraw/zinc/89/98/65/561899865.db2.gz LOCWHPYADPPCAK-AREMUKBSSA-N 0 3 561.553 7.376 1 0 KKAFHN CCCCN1CC[C@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000028137376 561906897 /nfs/dbraw/zinc/90/68/97/561906897.db2.gz UTAPFVCSIYSFAD-IZZNHLLZSA-N 0 3 530.635 5.445 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC[C@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000028217973 561907067 /nfs/dbraw/zinc/90/70/67/561907067.db2.gz RWAXNKUPBSKCHC-VWLOTQADSA-N 0 3 509.593 5.593 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028242427 561910452 /nfs/dbraw/zinc/91/04/52/561910452.db2.gz JPRXROIKMOJKFY-NVXXTVOZSA-N 0 3 505.662 5.863 1 0 KKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028243117 561910596 /nfs/dbraw/zinc/91/05/96/561910596.db2.gz BYTPIWAFSDSLDV-JXMROGBWSA-N 0 3 515.604 5.585 1 0 KKAFHN O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 ZINC000028245828 561910775 /nfs/dbraw/zinc/91/07/75/561910775.db2.gz ZTAQOVDEAOOASU-SDNWHVSQSA-N 0 3 533.594 5.849 1 0 KKAFHN Cc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028260157 561912038 /nfs/dbraw/zinc/91/20/38/561912038.db2.gz OMMOEEIMVKATBO-UHFFFAOYSA-N 0 3 580.635 5.781 1 0 KKAFHN C[C@](O)(CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235867 561909616 /nfs/dbraw/zinc/90/96/16/561909616.db2.gz JJRGEKBCROFWOB-CIVDOVBRSA-N 0 3 540.695 5.633 1 0 KKAFHN C[C@](O)(CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235867 561909617 /nfs/dbraw/zinc/90/96/17/561909617.db2.gz JJRGEKBCROFWOB-CIVDOVBRSA-N 0 3 540.695 5.633 1 0 KKAFHN Cc1c(-c2csc(-c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028361414 561916850 /nfs/dbraw/zinc/91/68/50/561916850.db2.gz RHBZPJJMDLBQLB-DEOSSOPVSA-N 0 3 530.600 5.135 1 0 KKAFHN Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028387054 561921393 /nfs/dbraw/zinc/92/13/93/561921393.db2.gz SEPWPJVHMOIGQX-DEOSSOPVSA-N 0 3 565.045 5.789 1 0 KKAFHN COc1ccccc1Nc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cs1 ZINC000028390584 561922110 /nfs/dbraw/zinc/92/21/10/561922110.db2.gz GGIHQOVLCZJBPP-QHCPKHFHSA-N 0 3 575.641 5.221 1 0 KKAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028459271 561924798 /nfs/dbraw/zinc/92/47/98/561924798.db2.gz CKEMIYJHGIBYJA-KOBNTEELSA-N 0 3 638.897 6.496 1 0 KKAFHN N[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028471748 561927071 /nfs/dbraw/zinc/92/70/71/561927071.db2.gz QNIZBEIHYCQTEQ-QHCPKHFHSA-N 0 3 517.910 5.237 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(Cn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028521477 561929271 /nfs/dbraw/zinc/92/92/71/561929271.db2.gz SFODKQIDIFSVNS-WTNLLYQRSA-N 0 3 514.714 5.497 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(Cn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028521477 561929273 /nfs/dbraw/zinc/92/92/73/561929273.db2.gz SFODKQIDIFSVNS-WTNLLYQRSA-N 0 3 514.714 5.497 1 0 KKAFHN CC(C)(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522889 561929721 /nfs/dbraw/zinc/92/97/21/561929721.db2.gz WVCVAYYNQLGCHZ-MHZLTWQESA-N 0 3 530.679 6.816 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccccn3)cs2)cc1 ZINC000028525319 561931204 /nfs/dbraw/zinc/93/12/04/561931204.db2.gz QPKZOOOOAYTKND-PMERELPUSA-N 0 3 570.740 5.462 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646324 561945114 /nfs/dbraw/zinc/94/51/14/561945114.db2.gz BYSSGQJAFRAXOS-UUWRZZSWSA-N 0 3 528.760 5.810 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646341 561945120 /nfs/dbraw/zinc/94/51/20/561945120.db2.gz VEHVBAJFWBANGR-UMSFTDKQSA-N 0 3 546.750 5.949 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646304 561945135 /nfs/dbraw/zinc/94/51/35/561945135.db2.gz UOUWWVWWIQEODA-UMSFTDKQSA-N 0 3 528.760 5.810 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646306 561945143 /nfs/dbraw/zinc/94/51/43/561945143.db2.gz UOUWWVWWIQEODA-UUWRZZSWSA-N 0 3 528.760 5.810 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1 ZINC000028637119 561941434 /nfs/dbraw/zinc/94/14/34/561941434.db2.gz NQKIWLUUQGGHDS-SSEXGKCCSA-N 0 3 559.718 5.602 1 0 KKAFHN CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC000028636898 561941439 /nfs/dbraw/zinc/94/14/39/561941439.db2.gz KEKUJVBJRXHYFR-GDLZYMKVSA-N 0 3 553.755 6.134 1 0 KKAFHN CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@@](C)=O)cc3)n2CCN2CCCCC2)ccn1 ZINC000028636685 561941461 /nfs/dbraw/zinc/94/14/61/561941461.db2.gz XFLRINGJGXUMHW-RWYGWLOXSA-N 0 3 591.778 6.225 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1c[nH]c2ccccc12 ZINC000028636649 561941502 /nfs/dbraw/zinc/94/15/02/561941502.db2.gz SQMGDAVUTWCURS-GDLZYMKVSA-N 0 3 545.691 5.212 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646385 561945248 /nfs/dbraw/zinc/94/52/48/561945248.db2.gz FBBUWUQOOSRYPX-UMSFTDKQSA-N 0 3 563.205 6.464 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646418 561945269 /nfs/dbraw/zinc/94/52/69/561945269.db2.gz SHSTUQYXVMYBBE-UMSFTDKQSA-N 0 3 596.757 6.829 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2cccc(Br)c2)CC1 ZINC000028646204 561944903 /nfs/dbraw/zinc/94/49/03/561944903.db2.gz NTBLOUVNUSNVNG-HKBQPEDESA-N 0 3 549.601 5.531 1 0 KKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3ccc(-c4ccc(C(F)(F)F)cc4)s3)CC1)=CC2 ZINC000028708685 561950464 /nfs/dbraw/zinc/95/04/64/561950464.db2.gz ZGEWBDMYBJHVOV-UNMCSNQZSA-N 0 3 503.634 7.012 1 0 KKAFHN CS(=O)(=O)[C@@H]1CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000028710039 561950896 /nfs/dbraw/zinc/95/08/96/561950896.db2.gz XTQWBGVHINEJTO-HHHXNRCGSA-N 0 3 521.679 6.183 1 0 KKAFHN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCN2CCCC2)c1Cl ZINC000028655647 561946683 /nfs/dbraw/zinc/94/66/83/561946683.db2.gz NAGOBWIFPKZEKG-UHFFFAOYSA-N 0 3 639.993 5.854 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1csc(NC(=O)C2CC2)n1 ZINC000028702793 561947292 /nfs/dbraw/zinc/94/72/92/561947292.db2.gz UFCKZCBEBVQNRA-RUZDIDTESA-N 0 3 638.678 7.199 1 0 KKAFHN CC(C)(C)C(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702801 561947300 /nfs/dbraw/zinc/94/73/00/561947300.db2.gz GXGLYUCMSMBLFQ-RUZDIDTESA-N 0 3 654.721 7.835 1 0 KKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)OCCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704250 561948554 /nfs/dbraw/zinc/94/85/54/561948554.db2.gz ZHEYTIRGUSABKH-NDEPHWFRSA-N 0 3 582.166 6.021 1 0 KKAFHN COCCN1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711921 561952580 /nfs/dbraw/zinc/95/25/80/561952580.db2.gz BEASFCMYLAUGDO-QFIPXVFZSA-N 0 3 502.058 6.051 1 0 KKAFHN CCOc1ccc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)cc1CN(CC)CC ZINC000028759232 561957493 /nfs/dbraw/zinc/95/74/93/561957493.db2.gz BXSXNAQPKDGANH-UHFFFAOYSA-N 0 3 514.461 6.696 1 0 KKAFHN c1ccc(C(CCN2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816202 561964045 /nfs/dbraw/zinc/96/40/45/561964045.db2.gz QUMDLHSILZMXIA-NCRNUEESSA-N 0 3 638.852 8.823 1 0 KKAFHN C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1CN1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816391 561964104 /nfs/dbraw/zinc/96/41/04/561964104.db2.gz NGGXTXNCMMOGIG-HJIQQCSTSA-N 0 3 574.809 7.559 1 0 KKAFHN O=C(OC[C@H]1CCC[C@@H](c2ccc(F)c(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028816549 561964243 /nfs/dbraw/zinc/96/42/43/561964243.db2.gz AYPPOWPEGSXNSJ-YWEHKCAJSA-N 0 3 596.140 5.990 1 0 KKAFHN C[C@H]1CN(C2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816495 561964255 /nfs/dbraw/zinc/96/42/55/561964255.db2.gz FMMQURLBVRREQY-LCRMXPIESA-N 0 3 574.187 6.100 1 0 KKAFHN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]Cc2ccc(-c4nnn[n-]4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823046 561967894 /nfs/dbraw/zinc/96/78/94/561967894.db2.gz VALATONXOTZEAD-JOCHJYFZSA-N 0 3 645.705 6.657 1 0 KKAFHN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]Cc2ccc(-c4nn[n-]n4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823046 561967895 /nfs/dbraw/zinc/96/78/95/561967895.db2.gz VALATONXOTZEAD-JOCHJYFZSA-N 0 3 645.705 6.657 1 0 KKAFHN CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)C1 ZINC000028824064 561968806 /nfs/dbraw/zinc/96/88/06/561968806.db2.gz XTCSPSZJBBGHKR-NXCFDTQHSA-N 0 3 565.080 5.315 1 0 KKAFHN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(Cc3ccccc3)CC2)c1 ZINC000028825278 561970696 /nfs/dbraw/zinc/97/06/96/561970696.db2.gz NQHNMXFESFWSLF-UHFFFAOYSA-N 0 3 597.159 7.581 1 0 KKAFHN O=C(NCCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc2ccccc2s1 ZINC000028869940 561973974 /nfs/dbraw/zinc/97/39/74/561973974.db2.gz WZTRJNUHJASJJE-UHFFFAOYSA-N 0 3 542.148 7.156 1 0 KKAFHN O=C(C1CCN(c2ccncc2)CC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(-c3ccc(Cl)s3)s2)C1 ZINC000028955956 561983067 /nfs/dbraw/zinc/98/30/67/561983067.db2.gz NMADZMIBEVCFDZ-XLCPLWEUSA-N 0 3 577.197 5.180 1 0 KKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000028967690 561985320 /nfs/dbraw/zinc/98/53/20/561985320.db2.gz IANFZTQURGYKAN-UHFFFAOYSA-N 0 3 515.038 5.875 1 0 KKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6cccnc6)no5)CC4)cc3)nc2n1 ZINC000029037183 561988492 /nfs/dbraw/zinc/98/84/92/561988492.db2.gz FMXCGIWWQFOSTJ-UHFFFAOYSA-N 0 3 571.710 6.905 1 0 KKAFHN CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039286 561989646 /nfs/dbraw/zinc/98/96/46/561989646.db2.gz SQHZFRPRZPWVMA-NEOYCHAESA-N 0 3 611.174 5.705 1 0 KKAFHN COc1cc(/C=C/C(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)ccc1O ZINC000029046863 561993148 /nfs/dbraw/zinc/99/31/48/561993148.db2.gz WCWRTGJHBXDPMB-HTXNQAPBSA-N 0 3 501.671 6.410 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ccncc4)c3=O)CC2)C(C)C)c1 ZINC000029062206 561995881 /nfs/dbraw/zinc/99/58/81/561995881.db2.gz AYYSGMZEWUNOSV-SSEXGKCCSA-N 0 3 528.697 5.694 1 0 KKAFHN CN(C)CCN(C)C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125599 561997877 /nfs/dbraw/zinc/99/78/77/561997877.db2.gz QVLLFDDIYGBBAZ-HKBQPEDESA-N 0 3 715.269 5.503 1 0 KKAFHN Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1 ZINC000029126777 561998906 /nfs/dbraw/zinc/99/89/06/561998906.db2.gz XZZVNLYLIJCASD-UHFFFAOYSA-N 0 3 525.660 6.436 1 0 KKAFHN COc1ccccc1Oc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000029132988 562003515 /nfs/dbraw/zinc/00/35/15/562003515.db2.gz PEETWCXFFKUYPQ-UHFFFAOYSA-N 0 3 538.652 5.186 1 0 KKAFHN COc1ccccc1Oc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000029132988 562003516 /nfs/dbraw/zinc/00/35/16/562003516.db2.gz PEETWCXFFKUYPQ-UHFFFAOYSA-N 0 3 538.652 5.186 1 0 KKAFHN Cc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029341463 562015255 /nfs/dbraw/zinc/01/52/55/562015255.db2.gz HOEDNINDIRCVBG-HSZRJFAPSA-N 0 3 502.467 6.139 1 0 KKAFHN O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc2ccccc2c1)Nc1ccccc1 ZINC000029340713 562015269 /nfs/dbraw/zinc/01/52/69/562015269.db2.gz QNJLXHAEXOQYAY-ZWXJPIIXSA-N 0 3 563.771 5.927 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 ZINC000029343727 562015870 /nfs/dbraw/zinc/01/58/70/562015870.db2.gz QXIZXTUHGDAAEB-IRRFQSKSSA-N 0 3 695.949 5.797 1 0 KKAFHN CN(C)CCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)S[C@@H]1c1ccc(Cl)cc1Cl ZINC000029393285 562017947 /nfs/dbraw/zinc/01/79/47/562017947.db2.gz KVAFEJLKEOBMSQ-ZEQKJWHPSA-N 0 3 516.494 5.357 1 0 KKAFHN O=c1[nH]c2ccccc2n1C1CCN(CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1 ZINC000029334608 562014212 /nfs/dbraw/zinc/01/42/12/562014212.db2.gz VQTYANOITYVNNB-UHFFFAOYSA-N 0 3 537.660 6.792 1 0 KKAFHN CCOP(=O)(OCC)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000029408867 562021325 /nfs/dbraw/zinc/02/13/25/562021325.db2.gz OWFQFOYYSVADCB-UHFFFAOYSA-N 0 3 593.682 7.261 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029412993 562022321 /nfs/dbraw/zinc/02/23/21/562022321.db2.gz GETGSYUVNAQKQG-SZNOJMITSA-N 0 3 671.879 5.372 1 0 KKAFHN CC(=O)c1ccc2n(c1=O)[C@H](COC(=O)CCC(=O)NCCCOc1cccc(CN3CCCCC3)c1)Cc1c3ccccc3[nH]c1-2 ZINC000029462533 562023341 /nfs/dbraw/zinc/02/33/41/562023341.db2.gz YOYZIMDAMQNHQY-MHZLTWQESA-N 0 3 638.765 5.191 1 0 KKAFHN CCCN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)C1=O ZINC000029474625 562026184 /nfs/dbraw/zinc/02/61/84/562026184.db2.gz QLODTSDJKHVWDH-YTTGMZPUSA-N 0 3 579.749 5.682 1 0 KKAFHN CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 ZINC000029484639 562027945 /nfs/dbraw/zinc/02/79/45/562027945.db2.gz VLMCGHLIULXVBE-CONSDPRKSA-N 0 3 535.773 5.698 1 0 KKAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)N(C)C1CCCCC1 ZINC000029488876 562028947 /nfs/dbraw/zinc/02/89/47/562028947.db2.gz RCNIBMAQLZWNRG-UWXQCODUSA-N 0 3 638.897 6.317 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029554685 562031811 /nfs/dbraw/zinc/03/18/11/562031811.db2.gz SILLYOVKLCANFF-SSEXGKCCSA-N 0 3 582.719 5.311 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)c2ccccc2)c1 ZINC000034314929 562038681 /nfs/dbraw/zinc/03/86/81/562038681.db2.gz ZTBGLXWPXRXVOK-QZFRTWIZSA-N 0 3 515.698 5.002 1 0 KKAFHN CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)CN2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804887 562043457 /nfs/dbraw/zinc/04/34/57/562043457.db2.gz JGSIEANYYGCVKS-VWLOTQADSA-N 0 3 655.718 5.113 1 0 KKAFHN Clc1cccc(N2CCN(CCCn3c4ccccc4c4c3CN(CCCc3cccnc3)CC4)CC2)c1 ZINC000036093023 562047105 /nfs/dbraw/zinc/04/71/05/562047105.db2.gz MYITWYAKEJQAFS-UHFFFAOYSA-N 0 3 528.144 5.893 1 0 KKAFHN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1 ZINC000035803245 562045357 /nfs/dbraw/zinc/04/53/57/562045357.db2.gz ZSCCDIZJMUBHJP-XMMPIXPASA-N 0 3 532.651 5.205 1 0 KKAFHN CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CCc3ccccc3C2)CC1 ZINC000036285022 562053617 /nfs/dbraw/zinc/05/36/17/562053617.db2.gz VQOIYAMYLOQWBL-SAIUNTKASA-N 0 3 620.213 5.385 1 0 KKAFHN Cc1[nH]c2ccccc2c1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285516 562054226 /nfs/dbraw/zinc/05/42/26/562054226.db2.gz WQMKKOKOWWDFGB-DEOSSOPVSA-N 0 3 500.609 5.822 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2F)CC1 ZINC000036285834 562054471 /nfs/dbraw/zinc/05/44/71/562054471.db2.gz LEEZXXVWCIZSBN-SBUREZEXSA-N 0 3 514.007 6.071 1 0 KKAFHN Cc1cccc(NC(=O)NCc2cc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)cs2)c1 ZINC000036338898 562057448 /nfs/dbraw/zinc/05/74/48/562057448.db2.gz XAUJPUSQPFKXTF-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1cccc(NC(=O)NCc2cc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)cs2)c1 ZINC000036338898 562057451 /nfs/dbraw/zinc/05/74/51/562057451.db2.gz XAUJPUSQPFKXTF-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN CCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338896 562057528 /nfs/dbraw/zinc/05/75/28/562057528.db2.gz SYPCNIVYAZIDIK-UHFFFAOYSA-N 0 3 540.737 5.819 1 0 KKAFHN CCN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338896 562057530 /nfs/dbraw/zinc/05/75/30/562057530.db2.gz SYPCNIVYAZIDIK-UHFFFAOYSA-N 0 3 540.737 5.819 1 0 KKAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 ZINC000036349190 562057861 /nfs/dbraw/zinc/05/78/61/562057861.db2.gz ARHSHAJHTRTUQE-GDLZYMKVSA-N 0 3 624.587 5.974 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccsc4)C[C@H]23)CC1 ZINC000036351614 562058861 /nfs/dbraw/zinc/05/88/61/562058861.db2.gz KUEKCOBCKTZYMK-GZGNHOFSSA-N 0 3 524.628 5.498 1 0 KKAFHN CC/C=C\CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000038155694 562067983 /nfs/dbraw/zinc/06/79/83/562067983.db2.gz DPKOMJNOBBYDOH-HJWRWDBZSA-N 0 3 571.187 8.152 1 0 KKAFHN CN(C)Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)o1 ZINC000040404749 562074851 /nfs/dbraw/zinc/07/48/51/562074851.db2.gz RRBYOZUVIOQSSM-UHFFFAOYSA-N 0 3 509.006 7.128 1 0 KKAFHN CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392924 562073800 /nfs/dbraw/zinc/07/38/00/562073800.db2.gz JRDUTWSFVKMJDC-DCFHFQCYSA-N 0 3 530.540 6.356 1 0 KKAFHN CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040393271 562073900 /nfs/dbraw/zinc/07/39/00/562073900.db2.gz XCKZULXGGOOYNU-DWACAAAGSA-N 0 3 510.122 5.632 1 0 KKAFHN CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040393272 562073945 /nfs/dbraw/zinc/07/39/45/562073945.db2.gz XCKZULXGGOOYNU-DFHRPNOPSA-N 0 3 510.122 5.632 1 0 KKAFHN CC(C)NC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394770 562074229 /nfs/dbraw/zinc/07/42/29/562074229.db2.gz WSYZPVUHMNOUKM-ONCRSHKTSA-N 0 3 507.505 7.172 1 0 KKAFHN CN(CCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000040875110 562082063 /nfs/dbraw/zinc/08/20/63/562082063.db2.gz LKCADBHGVXHIJF-UHFFFAOYSA-N 0 3 503.440 6.294 1 0 KKAFHN COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C(C)C)CC1 ZINC000040565492 562077923 /nfs/dbraw/zinc/07/79/23/562077923.db2.gz VBEOBBGCDHWKJI-QFIPXVFZSA-N 0 3 505.486 6.269 1 0 KKAFHN CCOC(=O)c1ccccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040641550 562078678 /nfs/dbraw/zinc/07/86/78/562078678.db2.gz JQBLCRRCBHPNJN-UHFFFAOYSA-N 0 3 509.593 5.559 1 0 KKAFHN COC(=O)[C@](CCCN1CCN(Cc2cccc(C)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040895176 562083032 /nfs/dbraw/zinc/08/30/32/562083032.db2.gz GJNISUGDHSTIAF-MHZLTWQESA-N 0 3 501.509 5.422 1 0 KKAFHN COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1 ZINC000040898073 562083158 /nfs/dbraw/zinc/08/31/58/562083158.db2.gz FZGJOQIUVBVNBJ-VWLOTQADSA-N 0 3 517.551 6.285 1 0 KKAFHN COc1cccc(CCN(Cc2ccccc2-c2ccc(N3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 ZINC000040914242 562083782 /nfs/dbraw/zinc/08/37/82/562083782.db2.gz RGONZPPAFAIBGE-UHFFFAOYSA-N 0 3 526.725 5.859 1 0 KKAFHN CN(C)Cc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)[nH]1 ZINC000040918256 562084231 /nfs/dbraw/zinc/08/42/31/562084231.db2.gz ZUDQNEUWKCAHQC-UHFFFAOYSA-N 0 3 508.022 6.863 1 0 KKAFHN O=C(NC1CCCCC1)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937373 562085392 /nfs/dbraw/zinc/08/53/92/562085392.db2.gz VKLJOUGRSNUTNZ-DEOSSOPVSA-N 0 3 521.652 6.299 1 0 in-vitro KKAFHN O=C1N=C(NC2CCCCC2)C2(CCN(Cc3cccc(-c4ccccc4)c3)CC2)N1c1cccc(F)c1 ZINC000040956184 562086573 /nfs/dbraw/zinc/08/65/73/562086573.db2.gz JPHRZSOAJYCXBN-UHFFFAOYSA-N 0 3 510.657 6.788 1 0 KKAFHN C=CC(=O)O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040974822 562087087 /nfs/dbraw/zinc/08/70/87/562087087.db2.gz ABVNRCMHGLYMGT-PMERELPUSA-N 0 3 519.636 5.971 1 0 KKAFHN S=c1[n-]nc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3ccn12 ZINC000042803732 562088374 /nfs/dbraw/zinc/08/83/74/562088374.db2.gz QURASFLBSZXYIT-UHFFFAOYSA-N 0 3 595.736 6.460 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1c(cc3c(c1OC)C(=NCC3)C2)O4 ZINC000085531053 560073266 /nfs/dbraw/zinc/07/32/66/560073266.db2.gz RRLSZRJXBFELBU-DEOSSOPVSA-N 0 3 576.649 6.734 1 0 biogenic,in-vitro KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043120042 562646032 /nfs/dbraw/zinc/64/60/32/562646032.db2.gz UWQWKEPZJZVFAV-PMERELPUSA-N 0 3 532.610 6.399 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3C4)CC[C@@H]12 ZINC000043122715 562646262 /nfs/dbraw/zinc/64/62/62/562646262.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 0 3 510.744 6.321 1 0 KKAFHN CN(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052552 562651793 /nfs/dbraw/zinc/65/17/93/562651793.db2.gz MDLRAEPVBHKBOT-AREMUKBSSA-N 0 3 546.405 5.135 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C ZINC000044306880 562653875 /nfs/dbraw/zinc/65/38/75/562653875.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 0 3 608.735 6.859 1 0 in-vivo KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@H]3CCCN3CC(C)C)ncn2)s1 ZINC000044351231 562654524 /nfs/dbraw/zinc/65/45/24/562654524.db2.gz GYHAPTAGIQVJLR-JOCHJYFZSA-N 0 3 598.651 6.582 1 0 KKAFHN COCCN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000044351862 562654897 /nfs/dbraw/zinc/65/48/97/562654897.db2.gz GWRZMVNMDPUMHU-LJAQVGFWSA-N 0 3 583.560 5.508 1 0 KKAFHN FC(F)(F)c1ccc(Nc2nc(CCN3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044352618 562655216 /nfs/dbraw/zinc/65/52/16/562655216.db2.gz HBKSVRJUPJKKTN-UHFFFAOYSA-N 0 3 531.504 7.111 1 0 KKAFHN CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000044387532 562656136 /nfs/dbraw/zinc/65/61/36/562656136.db2.gz KPCQJMOTOVCVKD-BHDXBOSCSA-N 0 3 582.745 5.024 1 0 KKAFHN CCN(CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416752 562656982 /nfs/dbraw/zinc/65/69/82/562656982.db2.gz UPQMKAIHADRBKX-JOCHJYFZSA-N 0 3 568.187 5.988 1 0 KKAFHN CCCN1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(C(F)(F)F)c2)C1 ZINC000044417572 562657131 /nfs/dbraw/zinc/65/71/31/562657131.db2.gz QCLCLBSPZZIVTH-UHFFFAOYSA-N 0 3 535.574 6.062 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1I ZINC000045167627 562657999 /nfs/dbraw/zinc/65/79/99/562657999.db2.gz CYQRUYGVNWTHRA-UHFFFAOYSA-N 0 3 501.368 5.543 1 0 KKAFHN COc1ccc(CN(C)CCCOc2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000045168638 562658147 /nfs/dbraw/zinc/65/81/47/562658147.db2.gz BLKQMXAHAGKFHQ-YBFXNURJSA-N 0 3 516.682 6.554 1 0 KKAFHN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045188710 562658314 /nfs/dbraw/zinc/65/83/14/562658314.db2.gz RFYJBIAMIACESA-UHFFFAOYSA-N 0 3 517.848 5.849 1 0 KKAFHN COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000045189283 562658378 /nfs/dbraw/zinc/65/83/78/562658378.db2.gz FHVDHCUIIDBQIS-UHFFFAOYSA-N 0 3 508.449 6.545 1 0 KKAFHN FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)cc3)[nH]c2c1 ZINC000045194142 562658750 /nfs/dbraw/zinc/65/87/50/562658750.db2.gz PULJRYWDZXWXFU-UHFFFAOYSA-N 0 3 514.555 6.028 1 0 KKAFHN O=C(NCCCN1CCC(NC(=O)c2ccc(-c3cccnc3)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000045201012 562658975 /nfs/dbraw/zinc/65/89/75/562658975.db2.gz VEZUJWAAVJQUQH-UHFFFAOYSA-N 0 3 511.453 5.070 1 0 KKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)c1 ZINC000045201388 562659070 /nfs/dbraw/zinc/65/90/70/562659070.db2.gz LNOHPYFABWLRNJ-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)c1 ZINC000045201388 562659071 /nfs/dbraw/zinc/65/90/71/562659071.db2.gz LNOHPYFABWLRNJ-UHFFFAOYSA-N 0 3 515.535 6.992 1 0 KKAFHN COc1cc2c(c(Cl)c1OC)CCN(Cc1ccccc1)C[C@H]2c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045201382 562659079 /nfs/dbraw/zinc/65/90/79/562659079.db2.gz QQMFIUATCMBQRK-QFIPXVFZSA-N 0 3 518.963 6.048 1 0 KKAFHN O=c1cc(NCCCNCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)[nH]c2ccccc12 ZINC000045203011 562659224 /nfs/dbraw/zinc/65/92/24/562659224.db2.gz FTEVECRFPKFLGW-UHFFFAOYSA-N 0 3 516.856 6.659 1 0 KKAFHN O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(cccc3OCCN3CCCC3)c2-c2ccncc2)c1 ZINC000045210179 562659306 /nfs/dbraw/zinc/65/93/06/562659306.db2.gz WOIBPTLVUTZQDO-UHFFFAOYSA-N 0 3 518.621 6.182 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000045230206 562659656 /nfs/dbraw/zinc/65/96/56/562659656.db2.gz NTJSOYUWJIZESR-HSZRJFAPSA-N 0 3 523.621 5.281 1 0 KKAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)cc1 ZINC000045303018 562660718 /nfs/dbraw/zinc/66/07/18/562660718.db2.gz WYDJYWOGADOEGJ-HSZRJFAPSA-N 0 3 523.621 5.281 1 0 KKAFHN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000045302825 562660739 /nfs/dbraw/zinc/66/07/39/562660739.db2.gz SMAYZCZQKATJKP-MOAIHYDFSA-N 0 3 527.496 5.342 1 0 KKAFHN CCCC[C@@H]1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000048998248 562663188 /nfs/dbraw/zinc/66/31/88/562663188.db2.gz IDEGMDBRNXENQR-AREMUKBSSA-N 0 3 539.765 5.372 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)ccc1I ZINC000049605016 562665211 /nfs/dbraw/zinc/66/52/11/562665211.db2.gz XRGRWUKOXJUFIL-UHFFFAOYSA-N 0 3 536.801 5.591 1 0 KKAFHN O=C(NC[C@@H](NCCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1)C1=CCCC1 ZINC000049605093 562665326 /nfs/dbraw/zinc/66/53/26/562665326.db2.gz UJDFHIVIRUREAQ-HSZRJFAPSA-N 0 3 588.344 5.413 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605096 562665366 /nfs/dbraw/zinc/66/53/66/562665366.db2.gz MRYZOUPPHRSBHL-NTUHNPAUSA-N 0 3 585.498 6.942 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605171 562665464 /nfs/dbraw/zinc/66/54/64/562665464.db2.gz OYYMPUVUTLUQIO-WUXMJOGZSA-N 0 3 571.471 6.552 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000049605356 562665736 /nfs/dbraw/zinc/66/57/36/562665736.db2.gz GSNIRLNWFYLXHY-CWAYLNQUSA-N 0 3 563.742 7.145 1 0 KKAFHN COc1ccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5cccc(C(F)(F)F)c5C(F)(F)F)cc4)CC3)CC2)c(OC)c1 ZINC000049605570 562666042 /nfs/dbraw/zinc/66/60/42/562666042.db2.gz GQURRQVCXYIXPI-UHFFFAOYSA-N 0 3 663.703 7.482 1 0 KKAFHN CC(C)(CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049605594 562666080 /nfs/dbraw/zinc/66/60/80/562666080.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 0 3 608.570 6.336 1 0 KKAFHN CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049605594 562666081 /nfs/dbraw/zinc/66/60/81/562666081.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 0 3 608.570 6.336 1 0 KKAFHN C[C@H](Cc1ccc(NC(=O)c2ccc(CNCc3ccccc3)cc2)cc1)N(CCc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC000049605600 562666083 /nfs/dbraw/zinc/66/60/83/562666083.db2.gz HYHQHAJWOYYCOO-HHHXNRCGSA-N 0 3 612.214 8.293 1 0 KKAFHN O=C(Nc1ccccc1F)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605648 562666136 /nfs/dbraw/zinc/66/61/36/562666136.db2.gz BBFJSRCGOGJAQE-UHFFFAOYSA-N 0 3 554.695 6.560 1 0 KKAFHN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605734 562666296 /nfs/dbraw/zinc/66/62/96/562666296.db2.gz UPECNCZLZOVUOM-ROJLCIKYSA-N 0 3 576.770 6.454 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605727 562666311 /nfs/dbraw/zinc/66/63/11/562666311.db2.gz FWOCVWATTUPVMG-UFYCRDLUSA-N 0 3 572.364 6.586 1 0 KKAFHN O=C(CC1CCCC1)N(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000049625786 562666862 /nfs/dbraw/zinc/66/68/62/562666862.db2.gz ZSVFLFLTSOOISJ-UHFFFAOYSA-N 0 3 561.664 6.507 1 0 KKAFHN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049625961 562666910 /nfs/dbraw/zinc/66/69/10/562666910.db2.gz RPYFPONCOKUOBA-KPKJPENVSA-N 0 3 555.016 6.037 1 0 KKAFHN Cc1nc(-c2ccc(-c3ccc(NC(=O)Nc4ccc(I)c(OCCN(C)C)c4)cc3)c(C)c2)no1 ZINC000049625925 562666948 /nfs/dbraw/zinc/66/69/48/562666948.db2.gz SHTQAFIHFISRBZ-UHFFFAOYSA-N 0 3 597.457 6.209 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049626637 562667281 /nfs/dbraw/zinc/66/72/81/562667281.db2.gz SOBNIOXHKGHHSS-VQHVLOKHSA-N 0 3 586.391 7.230 1 0 KKAFHN CCOc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(Cl)c1 ZINC000049626914 562667370 /nfs/dbraw/zinc/66/73/70/562667370.db2.gz YBISMSOWZUIHQY-UHFFFAOYSA-N 0 3 568.545 7.034 1 0 KKAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3cccs3)C(=O)O[C@@]21C ZINC000049637731 562667545 /nfs/dbraw/zinc/66/75/45/562667545.db2.gz MMLNSDHFMYYFIF-ZXICEDJXSA-N 0 3 706.943 5.236 1 0 KKAFHN c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)cc2[nH]c(CCCCc3nc4ccc(C5=N[C@@H]6CCCC[C@@H]6N5)cc4[nH]3)nc12 ZINC000049639166 562667639 /nfs/dbraw/zinc/66/76/39/562667639.db2.gz WZEACAQARQPZHS-WAPCQROESA-N 0 3 534.712 5.327 1 0 KKAFHN COc1ccc(OCCCN2CCN(C[C@H](c3ccc(F)cc3)N3CCN(C(C)C)CC3)CC2)c2ccccc12 ZINC000049639208 562667695 /nfs/dbraw/zinc/66/76/95/562667695.db2.gz BHPZSUGMORPPQT-WJOKGBTCSA-N 0 3 548.747 5.141 1 0 KKAFHN O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000049639704 562667783 /nfs/dbraw/zinc/66/77/83/562667783.db2.gz WZSXQVUTYDCZRO-UHFFFAOYSA-N 0 3 661.290 9.419 1 0 KKAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H](CC)c2cccc(Cl)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710369 562671617 /nfs/dbraw/zinc/67/16/17/562671617.db2.gz ULUFTMCPJDOCPU-MJSOWUPRSA-N 0 3 613.224 5.145 1 0 KKAFHN O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(CCO)CC1 ZINC000049710887 562671861 /nfs/dbraw/zinc/67/18/61/562671861.db2.gz HBSUMCXFBJWFIF-UHFFFAOYSA-N 0 3 703.752 7.236 1 0 KKAFHN CCN1CCN(Cc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049722874 562672656 /nfs/dbraw/zinc/67/26/56/562672656.db2.gz GHQAZOFJLBXOHF-UHFFFAOYSA-N 0 3 557.724 6.283 1 0 KKAFHN COc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000049745910 562674134 /nfs/dbraw/zinc/67/41/34/562674134.db2.gz HNLBXFKIRYMXLC-UHFFFAOYSA-N 0 3 582.528 6.359 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1F ZINC000049767502 562677559 /nfs/dbraw/zinc/67/75/59/562677559.db2.gz RGGYJEYZTPRESN-UHFFFAOYSA-N 0 3 559.667 5.863 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(Br)cc4)C3)n2C)n1 ZINC000049774660 562678717 /nfs/dbraw/zinc/67/87/17/562678717.db2.gz VUFRFPUOFHXBBM-CCLHPLFOSA-N 0 3 534.527 5.857 1 0 KKAFHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000049775593 562679181 /nfs/dbraw/zinc/67/91/81/562679181.db2.gz LMZLCWZGOBCEDV-HSZRJFAPSA-N 0 3 533.628 5.222 1 0 KKAFHN O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1 ZINC000049777060 562679607 /nfs/dbraw/zinc/67/96/07/562679607.db2.gz FOXUTIZHAYSOSZ-HKBQPEDESA-N 0 3 600.804 5.027 1 0 KKAFHN CCn1ncc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000049777371 562679925 /nfs/dbraw/zinc/67/99/25/562679925.db2.gz VKXBGRGBSIALJG-BHBYDHKZSA-N 0 3 621.704 5.429 1 0 KKAFHN CN1CCc2ccccc2Cc2ccc(OCCCCCCCCOc3ccc4c(c3)CCN(C)CCc3ccccc3C4)cc2CC1 ZINC000049780213 562681483 /nfs/dbraw/zinc/68/14/83/562681483.db2.gz XUHIMIGMTWKPCU-UHFFFAOYSA-N 0 3 644.944 8.727 1 0 KKAFHN S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC23CC4CC(CC(C4)C2)C3)C1=S ZINC000049793869 562685247 /nfs/dbraw/zinc/68/52/47/562685247.db2.gz YWMSOSPOLKIGPV-GUFIDOBTSA-N 0 3 732.120 7.594 1 0 KKAFHN COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CCN2C)cc1 ZINC000049832998 562687415 /nfs/dbraw/zinc/68/74/15/562687415.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 0 3 668.787 6.457 1 0 KKAFHN O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 ZINC000049872345 562689954 /nfs/dbraw/zinc/68/99/54/562689954.db2.gz GIWVDIDTRYDGRF-UHFFFAOYSA-N 0 3 554.038 5.928 1 0 KKAFHN COc1ccc(N(C(=O)CN2c3ccccc3[C@H](c3ccccc3)C(=O)C(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)C2=O)C(C)C)cc1 ZINC000049889247 562691949 /nfs/dbraw/zinc/69/19/49/562691949.db2.gz OUQGSAYYPAIPHP-UWXQCODUSA-N 0 3 694.788 6.606 1 0 KKAFHN COc1cc(N2CCC(N3CC[C@@H](F)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049899482 562693162 /nfs/dbraw/zinc/69/31/62/562693162.db2.gz KTTFYLAOPGCPOV-HHHXNRCGSA-N 0 3 718.784 7.754 1 0 KKAFHN O=C(NCCCCCN1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917558 562693539 /nfs/dbraw/zinc/69/35/39/562693539.db2.gz DPBDEJSHFAVZAV-SFTDATJTSA-N 0 3 603.488 6.781 1 0 KKAFHN Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(CNCCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)Cc1cnc(C)cn1 ZINC000049917741 562693822 /nfs/dbraw/zinc/69/38/22/562693822.db2.gz GVNCBRLPIIFDQJ-UHFFFAOYSA-N 0 3 686.842 5.315 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@@H](NC(=O)/C=C/c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917847 562693993 /nfs/dbraw/zinc/69/39/93/562693993.db2.gz CZLTVXNYOSUZAA-FUCFDFLFSA-N 0 3 598.596 6.068 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCCc2cccc(F)c2F)c(=O)c2ccccc21 ZINC000049917867 562694051 /nfs/dbraw/zinc/69/40/51/562694051.db2.gz VKAMYOORSPTUCM-UHFFFAOYSA-N 0 3 689.769 8.511 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000049917939 562694220 /nfs/dbraw/zinc/69/42/20/562694220.db2.gz OVOQKPVGHPMAAO-NRFANRHFSA-N 0 3 531.600 5.148 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCC1CCCCC1 ZINC000049918085 562694436 /nfs/dbraw/zinc/69/44/36/562694436.db2.gz TUXMBWRQVZPMCK-UHFFFAOYSA-N 0 3 646.798 7.966 1 0 KKAFHN CCC(=O)N(c1ccccc1)C1CCN(CCC[C@@H](NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918199 562694620 /nfs/dbraw/zinc/69/46/20/562694620.db2.gz OUIYXSOGPADYFB-GDLZYMKVSA-N 0 3 657.639 7.570 1 0 KKAFHN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000049938426 562695296 /nfs/dbraw/zinc/69/52/96/562695296.db2.gz DUTXSEWRTZPJLR-SHXLRKJTSA-N 0 3 691.889 5.986 1 0 KKAFHN CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)C1=O ZINC000053113089 562696232 /nfs/dbraw/zinc/69/62/32/562696232.db2.gz VLIFIGMDNURHMV-UMSFTDKQSA-N 0 3 601.755 5.735 1 0 KKAFHN Cc1nc(Nc2nccn2-c2cccc(C(=O)NCCN3CCCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230348 562696686 /nfs/dbraw/zinc/69/66/86/562696686.db2.gz HWOFUQCIZZVQMK-UHFFFAOYSA-N 0 3 566.588 5.182 1 0 KKAFHN CN1CCN(c2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053294808 562697279 /nfs/dbraw/zinc/69/72/79/562697279.db2.gz DYHGXVWUXCUFSP-UHFFFAOYSA-N 0 3 578.521 5.819 1 0 KKAFHN CC[C@](C)(CCN1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 ZINC000058506811 562698341 /nfs/dbraw/zinc/69/83/41/562698341.db2.gz SYSNHJYXRAUBPE-MUUNZHRXSA-N 0 3 501.662 5.737 1 0 KKAFHN FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cc(N4CCC(N5CCOCC5)CC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000058547846 562699069 /nfs/dbraw/zinc/69/90/69/562699069.db2.gz BLEKFRYPGMDKPM-UHFFFAOYSA-N 0 3 648.612 6.368 1 0 KKAFHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1 ZINC000058547907 562699091 /nfs/dbraw/zinc/69/90/91/562699091.db2.gz BBZXKDAPACZAMH-UHFFFAOYSA-N 0 3 532.652 7.026 1 0 KKAFHN COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000058554957 562699272 /nfs/dbraw/zinc/69/92/72/562699272.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 0 3 668.787 6.457 1 0 KKAFHN O=C(CCCNCc1c(Cl)cccc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058568544 562699490 /nfs/dbraw/zinc/69/94/90/562699490.db2.gz SXZPHXWUKCRLIY-NDEPHWFRSA-N 0 3 530.927 6.450 1 0 KKAFHN O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895955 562702919 /nfs/dbraw/zinc/70/29/19/562702919.db2.gz VTZGCABMMZRTAE-GDLZYMKVSA-N 0 3 513.041 6.040 3 0 KKAFHN O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061903071 562702961 /nfs/dbraw/zinc/70/29/61/562702961.db2.gz ZDZJTQJMGWRFBP-GDLZYMKVSA-N 0 3 518.032 6.024 3 0 KKAFHN COc1ccc(/C=C/CN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061904316 562702982 /nfs/dbraw/zinc/70/29/82/562702982.db2.gz FSGLJBPFKQQGAQ-LQOJHXMCSA-N 0 3 509.625 6.014 3 0 KKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061904000 562702984 /nfs/dbraw/zinc/70/29/84/562702984.db2.gz QOJZVIWTELKIOI-SSEXGKCCSA-N 0 3 513.613 5.379 3 0 KKAFHN COc1ccc(N2c3ccccc3CN(Cc3ccccc3)C[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921052 562703117 /nfs/dbraw/zinc/70/31/17/562703117.db2.gz ZZOLLJSJHAOYSU-MUUNZHRXSA-N 0 3 524.661 6.486 3 0 KKAFHN CCN1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447410 562705392 /nfs/dbraw/zinc/70/53/92/562705392.db2.gz ULFBVDCNWCBUQT-UAUZOSSZSA-N 0 3 606.774 7.470 1 0 KKAFHN CN(C)CCN1CCN(C(=O)N2C[C@H](N(C)Cc3ccc(C(F)(F)F)c(F)c3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000064511959 562706166 /nfs/dbraw/zinc/70/61/66/562706166.db2.gz ZCFMKLWEPWFMJW-RLWLMLJZSA-N 0 3 604.520 5.350 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073945 562709645 /nfs/dbraw/zinc/70/96/45/562709645.db2.gz HGSQOYNWHXVVJS-JGCGQSQUSA-N 0 3 592.788 5.610 1 0 KKAFHN O=C(CCN1CCC(c2nc(-c3ccncc3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066104371 562711708 /nfs/dbraw/zinc/71/17/08/562711708.db2.gz HOQHCHFWEDZFJN-QFIPXVFZSA-N 0 3 540.455 5.248 1 0 KKAFHN NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066112762 562712113 /nfs/dbraw/zinc/71/21/13/562712113.db2.gz USXXPFFCBBHACO-IBGZPJMESA-N 0 3 524.543 5.444 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066165849 562714019 /nfs/dbraw/zinc/71/40/19/562714019.db2.gz IYHPIUZHKVLRCJ-ZRLASMASSA-N 0 3 541.692 5.054 3 0 KKAFHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066252750 562714867 /nfs/dbraw/zinc/71/48/67/562714867.db2.gz QBWLTDPVSJCLIE-UHFFFAOYSA-N 0 3 538.000 7.923 1 0 KKAFHN CN(C)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000068246015 562716120 /nfs/dbraw/zinc/71/61/20/562716120.db2.gz GJFJLQXYFZSVOD-UHFFFAOYSA-N 0 3 536.636 6.129 1 0 in-vitro KKAFHN CCCN1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000071296833 562717601 /nfs/dbraw/zinc/71/76/01/562717601.db2.gz CRNOHPGCPLJAOD-GFUPRDBPSA-N 0 3 503.771 7.454 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072104279 562720444 /nfs/dbraw/zinc/72/04/44/562720444.db2.gz LYMUYLCMDRKWKZ-YZZMFXRHSA-N 0 3 601.791 7.002 3 0 KKAFHN c1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000072113148 562722249 /nfs/dbraw/zinc/72/22/49/562722249.db2.gz CYAYCBCGPZWTLM-UHFFFAOYSA-N 0 3 526.728 8.708 1 0 KKAFHN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)OCCN(C)C)c(OC(C)C)c1 ZINC000072114292 562722690 /nfs/dbraw/zinc/72/26/90/562722690.db2.gz UNDGFWXBHFJPGJ-IZLXSDGUSA-N 0 3 570.517 7.032 1 0 KKAFHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc(Nc5cc(N6CCNCC6)nc(C)n5)cn4)c3)cc2C(F)(F)F)CC1 ZINC000072119056 562723798 /nfs/dbraw/zinc/72/37/98/562723798.db2.gz NDKGCIDWMFLFCL-JXMROGBWSA-N 0 3 700.814 5.616 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072120607 562724086 /nfs/dbraw/zinc/72/40/86/562724086.db2.gz IYJRQNXFGXVMAT-QRIZJJBVSA-N 0 3 704.022 6.326 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123704 562724855 /nfs/dbraw/zinc/72/48/55/562724855.db2.gz NFGNNHZUGBVANR-SPWOZAQASA-N 0 3 720.021 6.031 3 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1 ZINC000072123721 562724895 /nfs/dbraw/zinc/72/48/95/562724895.db2.gz MEAVCUVGGFTUOL-OFKCIZEBSA-N 0 3 659.728 7.501 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127733 562725881 /nfs/dbraw/zinc/72/58/81/562725881.db2.gz IXGXEPVYDMHUEI-HQPLKVBUSA-N 0 3 742.068 6.465 3 0 KKAFHN CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127740 562725912 /nfs/dbraw/zinc/72/59/12/562725912.db2.gz HUJIOOUZBZWSBP-ACEXITHZSA-N 0 3 749.997 7.473 3 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134197 562727276 /nfs/dbraw/zinc/72/72/76/562727276.db2.gz UHQCOWSGJCJWSA-BQYLNSIHSA-N 0 3 712.042 6.369 3 0 KKAFHN CCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000072134826 562727351 /nfs/dbraw/zinc/72/73/51/562727351.db2.gz QCPKDNFHSPNEEC-UHFFFAOYSA-N 0 3 537.733 6.142 3 0 KKAFHN CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000072135053 562727484 /nfs/dbraw/zinc/72/74/84/562727484.db2.gz NKJVEESZKXXZFT-TXHDDHBJSA-N 0 3 650.783 6.163 3 0 KKAFHN O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)N[C@]3(CCCN(Cc4ccc(Cl)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000072136884 562728198 /nfs/dbraw/zinc/72/81/98/562728198.db2.gz JCNKOMGLEKUJCE-VIDGLSEISA-N 0 3 582.022 5.366 3 0 KKAFHN COc1cc(OC)c2c(c1[C@H](CCN1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000072151430 562730109 /nfs/dbraw/zinc/73/01/09/562730109.db2.gz MWIOXPKQVFBCTI-NOCHOARKSA-N 0 3 648.848 6.621 1 0 KKAFHN COc1cc(OC)c2c(c1[C@@H](CCN1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000072151429 562730123 /nfs/dbraw/zinc/73/01/23/562730123.db2.gz MWIOXPKQVFBCTI-SZAHLOSFSA-N 0 3 648.848 6.621 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180648 562732553 /nfs/dbraw/zinc/73/25/53/562732553.db2.gz DWRSFLPJFKITBF-MRXNPFEDSA-N 0 3 517.432 5.742 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl ZINC000072183500 562732968 /nfs/dbraw/zinc/73/29/68/562732968.db2.gz WONIGLPPCGGIDN-XMSQKQJNSA-N 0 3 541.042 6.103 1 0 KKAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317213 562733159 /nfs/dbraw/zinc/73/31/59/562733159.db2.gz OIZRASSZMCQBRV-NDEPHWFRSA-N 0 3 607.799 6.381 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2cccnc23)cc1 ZINC000072317812 562733233 /nfs/dbraw/zinc/73/32/33/562733233.db2.gz LKCGVBONYVRCLD-QFIPXVFZSA-N 0 3 509.355 6.898 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccc(Cl)cc2)c2ccc(Br)cc2)CC1 ZINC000073198194 562735635 /nfs/dbraw/zinc/73/56/35/562735635.db2.gz NXCBLDPRJDFZIB-IBGZPJMESA-N 0 3 624.838 7.484 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073224341 562736665 /nfs/dbraw/zinc/73/66/65/562736665.db2.gz JZLGUOKBQBXEDW-YRUKQIKQSA-N 0 3 532.006 5.752 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ncccc23)cc1 ZINC000073275871 562737287 /nfs/dbraw/zinc/73/72/87/562737287.db2.gz YEDVQMXBJGPGIO-QHCPKHFHSA-N 0 3 509.355 6.898 1 0 KKAFHN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1 ZINC000073280284 562737461 /nfs/dbraw/zinc/73/74/61/562737461.db2.gz XXWFSNOROXVFAO-UUWRZZSWSA-N 0 3 620.835 5.038 1 0 KKAFHN CN1CCN(CCCNc2nccc(-c3c4ccc(C(F)(F)F)cn4nc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073292280 562737508 /nfs/dbraw/zinc/73/75/08/562737508.db2.gz NSYDPJXKRVPARU-UHFFFAOYSA-N 0 3 563.550 5.545 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4F)c4ccccc4c3=O)CC2)c1 ZINC000082157813 562741014 /nfs/dbraw/zinc/74/10/14/562741014.db2.gz BPINRSGEBWYMRZ-UHFFFAOYSA-N 0 3 533.047 6.084 1 0 KKAFHN COc1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)Cc2ccc([O-])c3ncccc23)c2cccnc12 ZINC000084466484 562743239 /nfs/dbraw/zinc/74/32/39/562743239.db2.gz CCAKCPJSKBQNCZ-UHFFFAOYSA-N 0 3 503.524 6.718 1 0 KKAFHN COc1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)Cc2ccc([O-])c3ncccc23)c2cccnc12 ZINC000084466484 562743240 /nfs/dbraw/zinc/74/32/40/562743240.db2.gz CCAKCPJSKBQNCZ-UHFFFAOYSA-N 0 3 503.524 6.718 1 0 KKAFHN c1ccc2sc(-c3ccc(OCCCCCCNc4c5ccccc5nc5c4CCCC5)cc3)nc2c1 ZINC000084616507 562744627 /nfs/dbraw/zinc/74/46/27/562744627.db2.gz JWYPYYYWTOWHTP-UHFFFAOYSA-N 0 3 507.703 8.442 1 0 KKAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O ZINC000084633580 562745754 /nfs/dbraw/zinc/74/57/54/562745754.db2.gz FIEWONGMXHAGRE-PVHODMMVSA-N 0 3 620.713 5.319 1 0 KKAFHN CCN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084634552 562745894 /nfs/dbraw/zinc/74/58/94/562745894.db2.gz VVAZCDRSMWTUJT-UHFFFAOYSA-N 0 3 581.201 5.391 1 0 KKAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC000084634923 562746003 /nfs/dbraw/zinc/74/60/03/562746003.db2.gz RJVIOWALVXBBFB-DQEYMECFSA-N 0 3 594.675 5.433 1 0 KKAFHN CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C1=O ZINC000084635949 562746269 /nfs/dbraw/zinc/74/62/69/562746269.db2.gz PVAHDYWWVLMYMW-SSEXGKCCSA-N 0 3 575.109 5.332 1 0 KKAFHN C[C@H](Oc1cc(-c2cc(-c3ccc(CN(C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655414 562747479 /nfs/dbraw/zinc/74/74/79/562747479.db2.gz AKWNDIGQZONPHP-INIZCTEOSA-N 0 3 540.611 6.379 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084670492 562748283 /nfs/dbraw/zinc/74/82/83/562748283.db2.gz MJJXCIAWUYSLTC-IAYPMUAMSA-N 0 3 634.793 6.397 1 0 KKAFHN O=C(CN1CCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)CN7CCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084688337 562749161 /nfs/dbraw/zinc/74/91/61/562749161.db2.gz AKJFTBQRELUULK-UHFFFAOYSA-N 0 3 666.790 5.404 1 0 KKAFHN COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000084688800 562749262 /nfs/dbraw/zinc/74/92/62/562749262.db2.gz WLLDCVHJRCZONV-PMERELPUSA-N 0 3 529.706 6.633 1 0 KKAFHN c1cc(-c2ccncc2)oc1C1=NO[C@H](c2ccccc2-c2cncnc2)N1c1ccc(N2CCNCC2)cc1 ZINC000084709174 562750294 /nfs/dbraw/zinc/75/02/94/562750294.db2.gz XJPWEUGASNNPSG-WJOKGBTCSA-N 0 3 529.604 5.105 1 0 KKAFHN CNC(=O)c1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710040 562750420 /nfs/dbraw/zinc/75/04/20/562750420.db2.gz ZGSCLCGORFILOB-UUWRZZSWSA-N 0 3 585.668 5.070 1 0 KKAFHN Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cccnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084711158 562750603 /nfs/dbraw/zinc/75/06/03/562750603.db2.gz DSIICHITQDHXRE-XIFFEERXSA-N 0 3 562.073 6.969 1 0 KKAFHN O=C(CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540077 562755521 /nfs/dbraw/zinc/75/55/21/562755521.db2.gz FSXQTMXCXNMEIZ-KDXMTYKHSA-N 0 3 806.848 8.887 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095541473 562756144 /nfs/dbraw/zinc/75/61/44/562756144.db2.gz BUPULZSGJRTAJI-VZUYHUTRSA-N 0 3 787.962 5.803 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O ZINC000095541767 562756334 /nfs/dbraw/zinc/75/63/34/562756334.db2.gz YZHTWMSZYMJRIF-RWYGWLOXSA-N 0 3 773.935 6.226 1 0 KKAFHN O=S(=O)(c1ccccc1)N(Cc1ccc(I)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000095543484 562757290 /nfs/dbraw/zinc/75/72/90/562757290.db2.gz ALNICVDMFYPVLU-KYJUHHDHSA-N 0 3 813.521 5.318 1 0 in-vitro KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545711 562758180 /nfs/dbraw/zinc/75/81/80/562758180.db2.gz VBMKWPABKWXAOB-RWYGWLOXSA-N 0 3 756.731 7.581 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4CCN4CCOCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545731 562758218 /nfs/dbraw/zinc/75/82/18/562758218.db2.gz ORBDOXUKPRMJQT-VQJSHJPSSA-N 0 3 778.778 6.470 1 0 KKAFHN COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c3ccccc3cc(c2OC)C[C@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1 ZINC000095547827 562758898 /nfs/dbraw/zinc/75/88/98/562758898.db2.gz OYVFSCIQTBGLRG-VHFKODIYSA-N 0 3 794.946 6.064 1 0 KKAFHN COCCOCCOCCOc1cc2c(cc1OC)CCN(CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)C2 ZINC000095548750 562759479 /nfs/dbraw/zinc/75/94/79/562759479.db2.gz FKTHCDIXZKIHTP-UHFFFAOYSA-N 0 3 776.887 6.194 1 0 KKAFHN CCCCc1sc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095557874 562762271 /nfs/dbraw/zinc/76/22/71/562762271.db2.gz WUCLJDCOPCRNES-UHFFFAOYSA-N 0 3 547.164 9.130 1 0 KKAFHN COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 ZINC000095560318 562763017 /nfs/dbraw/zinc/76/30/17/562763017.db2.gz HVGNYVOUQOKFLU-UHFFFAOYSA-N 0 3 536.720 5.453 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566271 562764874 /nfs/dbraw/zinc/76/48/74/562764874.db2.gz ACSVFUACEODJDN-UNTHUGQZSA-N 0 3 594.712 5.478 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095566497 562764992 /nfs/dbraw/zinc/76/49/92/562764992.db2.gz URAPLHCKRADHID-XMERXJNXSA-N 0 3 626.701 5.920 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095566900 562765378 /nfs/dbraw/zinc/76/53/78/562765378.db2.gz WPPOVSPAEBFYOJ-RDXDNIQESA-N 0 3 652.748 6.204 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095567117 562765548 /nfs/dbraw/zinc/76/55/48/562765548.db2.gz RQWZPZKMXFSKNS-YYULODDRSA-N 0 3 603.642 5.306 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567386 562765754 /nfs/dbraw/zinc/76/57/54/562765754.db2.gz OFYJPRSBIVOGOZ-RLCGNTSFSA-N 0 3 666.663 6.649 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095567435 562765818 /nfs/dbraw/zinc/76/58/18/562765818.db2.gz NHGHJDDGJPIKGB-FYQCMVGJSA-N 0 3 590.687 5.512 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095567661 562765947 /nfs/dbraw/zinc/76/59/47/562765947.db2.gz LFZLAWVTNRSJHJ-MJZSVGSSSA-N 0 3 735.866 6.442 1 0 KKAFHN Cc1cc(N2CCN([C@H](C(=O)NC3CCCC3)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2n1 ZINC000095567745 562766015 /nfs/dbraw/zinc/76/60/15/562766015.db2.gz NQPUPOVUVGQHQG-YTTGMZPUSA-N 0 3 504.678 6.132 3 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567756 562766042 /nfs/dbraw/zinc/76/60/42/562766042.db2.gz HLJJEFQTBOXRLT-CUBHQPEVSA-N 0 3 644.816 6.379 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567855 562766102 /nfs/dbraw/zinc/76/61/02/562766102.db2.gz ACSVFUACEODJDN-CAHKVJEUSA-N 0 3 594.712 5.478 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567864 562766145 /nfs/dbraw/zinc/76/61/45/562766145.db2.gz YPKBHAMQCQAOQB-FZLAZKPRSA-N 0 3 732.804 6.465 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568024 562766211 /nfs/dbraw/zinc/76/62/11/562766211.db2.gz YPKBHAMQCQAOQB-ZENPUIFLSA-N 0 3 732.804 6.465 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568409 562766620 /nfs/dbraw/zinc/76/66/20/562766620.db2.gz GEPWAINBAFOOPW-NVOANOBXSA-N 0 3 613.799 6.279 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095569179 562767239 /nfs/dbraw/zinc/76/72/39/562767239.db2.gz VYCOOHAMPRTWAW-VEFCPFGPSA-N 0 3 719.927 6.745 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569250 562767321 /nfs/dbraw/zinc/76/73/21/562767321.db2.gz GCNTVXNBVJIYRL-PHLCOOFXSA-N 0 3 580.729 5.765 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095569264 562767352 /nfs/dbraw/zinc/76/73/52/562767352.db2.gz ZGZURALGAMDSDO-DOKVQHETSA-N 0 3 690.848 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095569391 562767402 /nfs/dbraw/zinc/76/74/02/562767402.db2.gz FKBDGSUSUALVGO-AXHSOIPPSA-N 0 3 674.842 6.433 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095570755 562768449 /nfs/dbraw/zinc/76/84/49/562768449.db2.gz ZBBNPLMVFVREHD-INRPXOMJSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095570755 562768450 /nfs/dbraw/zinc/76/84/50/562768450.db2.gz ZBBNPLMVFVREHD-INRPXOMJSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570886 562768566 /nfs/dbraw/zinc/76/85/66/562768566.db2.gz RKBLFXPXPCVUTN-SFXKCFQESA-N 0 3 662.252 6.089 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570886 562768567 /nfs/dbraw/zinc/76/85/67/562768567.db2.gz RKBLFXPXPCVUTN-SFXKCFQESA-N 0 3 662.252 6.089 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571316 562768971 /nfs/dbraw/zinc/76/89/71/562768971.db2.gz NKYSZIASVRRVQA-QQJQPJPWSA-N 0 3 705.900 6.816 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000095571685 562769217 /nfs/dbraw/zinc/76/92/17/562769217.db2.gz CUQFOTQJZNKDLP-LMUOQGPPSA-N 0 3 577.124 7.031 1 0 KKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1ccc(I)cc1)CC2 ZINC000095574416 562769966 /nfs/dbraw/zinc/76/99/66/562769966.db2.gz SONYUBBIGVSXIN-NRFANRHFSA-N 0 3 573.427 5.130 1 0 KKAFHN CN(C)[C@H]1CCN([C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095576492 562770666 /nfs/dbraw/zinc/77/06/66/562770666.db2.gz SRNWDHOEWQLILF-JAUJNAEBSA-N 0 3 551.613 5.255 1 0 KKAFHN O=C(CCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000095577316 562770943 /nfs/dbraw/zinc/77/09/43/562770943.db2.gz HBKRQZPHQINADC-UHFFFAOYSA-N 0 3 527.694 5.964 1 0 KKAFHN CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095578320 562771226 /nfs/dbraw/zinc/77/12/26/562771226.db2.gz VOPNGBLDZXPEHL-CCDWMCETSA-N 0 3 549.634 5.013 1 0 KKAFHN c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCNc3c4ccccc4nc4c3CCCC4)c2-c2ccccc2)cc1 ZINC000095587233 562774276 /nfs/dbraw/zinc/77/42/76/562774276.db2.gz VRPRFMSKPPZJFK-UHFFFAOYSA-N 0 3 590.815 10.374 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@@H](O)C(F)(F)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588326 562774619 /nfs/dbraw/zinc/77/46/19/562774619.db2.gz MRRAFIQTUKCGLD-AREMUKBSSA-N 0 3 588.602 7.192 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4c([C@@H](O)C(F)(F)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588326 562774620 /nfs/dbraw/zinc/77/46/20/562774620.db2.gz MRRAFIQTUKCGLD-AREMUKBSSA-N 0 3 588.602 7.192 1 0 KKAFHN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095588674 562774721 /nfs/dbraw/zinc/77/47/21/562774721.db2.gz PEMQHAPIVQKWHA-UHFFFAOYSA-N 0 3 620.841 10.382 1 0 KKAFHN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095591112 562775517 /nfs/dbraw/zinc/77/55/17/562775517.db2.gz CWCYPRVQVGCZSY-UHFFFAOYSA-N 0 3 653.314 11.807 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@@H+](C)C4CCCCC4)c(C)c3oc2=O)ccc1[O-] ZINC000095594437 562776489 /nfs/dbraw/zinc/77/64/89/562776489.db2.gz USWQFJPYJGNIBZ-UHFFFAOYSA-N 0 3 532.681 6.601 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@H+](C)C4CCCCC4)c(C)c3oc2=O)ccc1[O-] ZINC000095594437 562776490 /nfs/dbraw/zinc/77/64/90/562776490.db2.gz USWQFJPYJGNIBZ-UHFFFAOYSA-N 0 3 532.681 6.601 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598758 562777471 /nfs/dbraw/zinc/77/74/71/562777471.db2.gz ILRCCMQCDZZMAZ-XFBASLRHSA-N 0 3 706.265 5.327 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598758 562777472 /nfs/dbraw/zinc/77/74/72/562777472.db2.gz ILRCCMQCDZZMAZ-XFBASLRHSA-N 0 3 706.265 5.327 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599340 562777982 /nfs/dbraw/zinc/77/79/82/562777982.db2.gz QMCFBRPLMVFDBX-QZCKSCMDSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599340 562777983 /nfs/dbraw/zinc/77/79/83/562777983.db2.gz QMCFBRPLMVFDBX-QZCKSCMDSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599364 562778024 /nfs/dbraw/zinc/77/80/24/562778024.db2.gz CBQVGICLIDWTFD-BNJCFXFUSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599364 562778025 /nfs/dbraw/zinc/77/80/25/562778025.db2.gz CBQVGICLIDWTFD-BNJCFXFUSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599364 562778026 /nfs/dbraw/zinc/77/80/26/562778026.db2.gz CBQVGICLIDWTFD-BNJCFXFUSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599484 562778139 /nfs/dbraw/zinc/77/81/39/562778139.db2.gz RBOAJFBNHJWMOW-VAQOQGKESA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600888 562779331 /nfs/dbraw/zinc/77/93/31/562779331.db2.gz CZGXFYZCYNDJOB-IUVSGJEMSA-N 0 3 752.797 8.296 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602373 562780076 /nfs/dbraw/zinc/78/00/76/562780076.db2.gz UQRVVYXDOOLUAO-SUCLBKFRSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602373 562780077 /nfs/dbraw/zinc/78/00/77/562780077.db2.gz UQRVVYXDOOLUAO-SUCLBKFRSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095602400 562780090 /nfs/dbraw/zinc/78/00/90/562780090.db2.gz QKQHOPFIEPLIHC-PUMORYBASA-N 0 3 689.738 6.914 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095603124 562780420 /nfs/dbraw/zinc/78/04/20/562780420.db2.gz MQYRYLVPTZBBHK-HJBDBDOVSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604012 562780768 /nfs/dbraw/zinc/78/07/68/562780768.db2.gz UIKXZKCHSBRXDR-CYCDCDHJSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604012 562780769 /nfs/dbraw/zinc/78/07/69/562780769.db2.gz UIKXZKCHSBRXDR-CYCDCDHJSA-N 0 3 705.840 6.434 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604333 562781007 /nfs/dbraw/zinc/78/10/07/562781007.db2.gz QMCFBRPLMVFDBX-NAJARDBOSA-N 0 3 740.285 7.087 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604333 562781008 /nfs/dbraw/zinc/78/10/08/562781008.db2.gz QMCFBRPLMVFDBX-NAJARDBOSA-N 0 3 740.285 7.087 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095605155 562781352 /nfs/dbraw/zinc/78/13/52/562781352.db2.gz XGMQKVJTWVADHD-RLJUXYCZSA-N 0 3 714.826 7.286 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605107 562781370 /nfs/dbraw/zinc/78/13/70/562781370.db2.gz LFZLAWVTNRSJHJ-BTHRYZMCSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605184 562781419 /nfs/dbraw/zinc/78/14/19/562781419.db2.gz PIPSXTOHKBCCEO-QZCKSCMDSA-N 0 3 702.790 7.416 1 0 KKAFHN CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc4[nH]ccc43)cc2)CC1 ZINC000095607626 562782905 /nfs/dbraw/zinc/78/29/05/562782905.db2.gz STAGSNVHYTWZTE-UHFFFAOYSA-N 0 3 507.465 6.927 1 0 KKAFHN O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000095612976 562785970 /nfs/dbraw/zinc/78/59/70/562785970.db2.gz WQVDZDREHNVNGE-ASUKMMDNSA-N 0 3 743.827 5.653 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000095613174 562786108 /nfs/dbraw/zinc/78/61/08/562786108.db2.gz KFDDKHKLWGIBTA-FNCFBVQQSA-N 0 3 771.881 6.434 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095857135 562789639 /nfs/dbraw/zinc/78/96/39/562789639.db2.gz VWCVFDWYUIZVLY-SGQICDRISA-N 0 3 676.736 7.494 1 0 KKAFHN C[C@@H]1CN(C)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095872938 562790109 /nfs/dbraw/zinc/79/01/09/562790109.db2.gz COTMOQJVMZRAAK-DJUQAAIZSA-N 0 3 550.659 5.727 1 0 KKAFHN O=C(c1ccc(F)cc1C(F)(F)F)N(c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000096173899 562791595 /nfs/dbraw/zinc/79/15/95/562791595.db2.gz HQZJXPHHIKXPCH-UHFFFAOYSA-N 0 3 502.508 6.393 1 0 KKAFHN OC1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174010 562791611 /nfs/dbraw/zinc/79/16/11/562791611.db2.gz UVZLUMOZKUSHMU-UHFFFAOYSA-N 0 3 500.606 5.537 1 0 KKAFHN O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174110 562791719 /nfs/dbraw/zinc/79/17/19/562791719.db2.gz ZZQVEWCNZOVNBP-UHFFFAOYSA-N 0 3 560.637 5.979 1 0 KKAFHN O=C(Nc1ccccc1F)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174100 562791729 /nfs/dbraw/zinc/79/17/29/562791729.db2.gz ZMIDWLHXCHSSLD-UHFFFAOYSA-N 0 3 560.637 5.979 1 0 KKAFHN C[C@H](C(=O)NCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270074 562793134 /nfs/dbraw/zinc/79/31/34/562793134.db2.gz YAJBEERVPURFIL-NRFANRHFSA-N 0 3 572.637 5.839 1 0 KKAFHN C[C@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270060 562793142 /nfs/dbraw/zinc/79/31/42/562793142.db2.gz WHKJEXOECXIDBC-SANMLTNESA-N 0 3 642.772 7.789 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271290 562793759 /nfs/dbraw/zinc/79/37/59/562793759.db2.gz YJNLZKNMMIUXMH-UHFFFAOYSA-N 0 3 569.193 8.920 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271292 562793767 /nfs/dbraw/zinc/79/37/67/562793767.db2.gz PNWRLRLEZRJJMK-UHFFFAOYSA-N 0 3 640.272 8.426 1 0 KKAFHN O=C(CCCCCNc1c2ccccc2nc2c1CCCC2)NCCCCCc1nc2ccccc2s1 ZINC000096273395 562794445 /nfs/dbraw/zinc/79/44/45/562794445.db2.gz UTCPGOBWDZEESH-UHFFFAOYSA-N 0 3 514.739 7.225 1 0 KKAFHN C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)n1c2ccccc2n(C2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285297 562795444 /nfs/dbraw/zinc/79/54/44/562795444.db2.gz JMFRZCFVKSIBHG-SANMLTNESA-N 0 3 632.784 6.271 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285336 562795446 /nfs/dbraw/zinc/79/54/46/562795446.db2.gz LTECMHSUEOHWDT-OFVILXPXSA-N 0 3 526.125 5.212 1 0 KKAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285386 562795615 /nfs/dbraw/zinc/79/56/15/562795615.db2.gz RQYNLNIHIFFLTK-LVXARBLLSA-N 0 3 572.219 6.198 1 0 KKAFHN Cc1cc(C)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285375 562795593 /nfs/dbraw/zinc/79/55/93/562795593.db2.gz FRBJEUDAEXXYFS-NGQVCNFZSA-N 0 3 560.787 5.495 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096900327 562796801 /nfs/dbraw/zinc/79/68/01/562796801.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 0 3 788.938 8.759 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903124 562797803 /nfs/dbraw/zinc/79/78/03/562797803.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 0 3 777.756 9.495 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903110 562797812 /nfs/dbraw/zinc/79/78/12/562797812.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 0 3 748.898 7.922 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2cccnc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096905084 562798454 /nfs/dbraw/zinc/79/84/54/562798454.db2.gz WJTJNOGJRJYRJN-DMSFNOBKSA-N 0 3 608.635 7.405 1 0 KKAFHN Cc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CCN(C5CCC5)CC4)c3)c2)c1Cl ZINC000096906425 562798745 /nfs/dbraw/zinc/79/87/45/562798745.db2.gz NDZXQUQZWJOGKU-UHFFFAOYSA-N 0 3 543.115 5.631 1 0 KKAFHN C[C@](O)(CCCNCc1cccnc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907054 562798983 /nfs/dbraw/zinc/79/89/83/562798983.db2.gz QRRRCYGPDKJSMY-VDPSFHEQSA-N 0 3 526.806 5.719 1 0 KKAFHN N=C(Nc1cccc(-c2cc(Cl)cc(-c3cccc(NC(=N)c4ccccc4)c3)c2)c1)c1ccccc1 ZINC000096908136 562799335 /nfs/dbraw/zinc/79/93/35/562799335.db2.gz YIXCNIKVIVXXSL-UHFFFAOYSA-N 0 3 501.033 8.549 1 0 KKAFHN CN(CCN1CCCCC1)Cc1cnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909364 562799561 /nfs/dbraw/zinc/79/95/61/562799561.db2.gz ZARZGMZWVQWUJG-UHFFFAOYSA-N 0 3 744.903 8.060 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(OCCN4CCCCC4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913941 562800598 /nfs/dbraw/zinc/80/05/98/562800598.db2.gz MMCZBTWRJUEGHU-PMERELPUSA-N 0 3 587.761 5.035 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3C)ccn2)cc1F ZINC000096932320 562803381 /nfs/dbraw/zinc/80/33/81/562803381.db2.gz LKJFGAFEPSNWPJ-UHFFFAOYSA-N 0 3 635.740 6.814 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033935 562806236 /nfs/dbraw/zinc/80/62/36/562806236.db2.gz VTFJWOXHAJNSBJ-PTBNBFCCSA-N 0 3 533.713 6.421 1 0 KKAFHN N=C(NO)c1cccc(N2C(=O)N(c3cccc(C(N)C=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000101003361 562808621 /nfs/dbraw/zinc/80/86/21/562808621.db2.gz RSDCQRDGVPPDHN-XYRIMNNSSA-N 0 3 577.685 5.226 1 0 KKAFHN C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000101645076 562811526 /nfs/dbraw/zinc/81/15/26/562811526.db2.gz XWWBOYDUGHVMQG-DNQXCXABSA-N 0 3 526.633 5.201 1 0 KKAFHN CCCN(C(=O)COc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198879 562815996 /nfs/dbraw/zinc/81/59/96/562815996.db2.gz XERFUSFVPGQKBI-GDLZYMKVSA-N 0 3 577.791 5.263 1 0 KKAFHN O=c1[n-]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201550 562816104 /nfs/dbraw/zinc/81/61/04/562816104.db2.gz FUHFWCJOWKLAHZ-DLFZDVPBSA-N 0 3 629.592 7.674 1 0 KKAFHN CCCC[C@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103214762 562816988 /nfs/dbraw/zinc/81/69/88/562816988.db2.gz YWEINOSANVASTB-MHZLTWQESA-N 0 3 563.783 7.272 1 0 KKAFHN CCCC[C@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103214762 562816989 /nfs/dbraw/zinc/81/69/89/562816989.db2.gz YWEINOSANVASTB-MHZLTWQESA-N 0 3 563.783 7.272 1 0 KKAFHN CC(C)CCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103216103 562817072 /nfs/dbraw/zinc/81/70/72/562817072.db2.gz YEXROTKJSIVIGK-VWLOTQADSA-N 0 3 563.783 7.128 1 0 KKAFHN CC(C)CCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(=Nc1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103216103 562817073 /nfs/dbraw/zinc/81/70/73/562817073.db2.gz YEXROTKJSIVIGK-VWLOTQADSA-N 0 3 563.783 7.128 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCC4)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228613 562818014 /nfs/dbraw/zinc/81/80/14/562818014.db2.gz HUVJPZPMBVNPFR-UHFFFAOYSA-N 0 3 533.625 5.701 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3cc(OCCN4CCCC4)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228657 562818033 /nfs/dbraw/zinc/81/80/33/562818033.db2.gz QPPKSAZYOCPGKH-UHFFFAOYSA-N 0 3 547.652 6.009 1 0 KKAFHN Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103230156 562818141 /nfs/dbraw/zinc/81/81/41/562818141.db2.gz LZGQSXPHQTXUGY-PGSXWIQSSA-N 0 3 536.915 8.046 1 0 KKAFHN COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(F)cc3)N1[C@H]2c1ccccc1OC ZINC000103230118 562818152 /nfs/dbraw/zinc/81/81/52/562818152.db2.gz FVKWBAHPUAWUCW-PEEFESNKSA-N 0 3 511.622 6.242 1 0 KKAFHN CN(C)CC[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232920 562818406 /nfs/dbraw/zinc/81/84/06/562818406.db2.gz QOAOOBLEORARMS-OAHLLOKOSA-N 0 3 548.306 5.572 1 0 KKAFHN Cc1ccc(CNC(=O)C[C@H]2c3ccccc3N=C(N3CCN(CCN(C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240425 562819435 /nfs/dbraw/zinc/81/94/35/562819435.db2.gz ZJBLZPIKNPZNLZ-BHVANESWSA-N 0 3 600.811 6.097 1 0 KKAFHN COc1ccc(C[C@H]2COc3cc(OCCCCCCNc4c5ccccc5nc5c4CCCC5)ccc3C2=O)cc1 ZINC000103248548 562820027 /nfs/dbraw/zinc/82/00/27/562820027.db2.gz VPASMJLIZUECKG-SANMLTNESA-N 0 3 564.726 7.608 1 0 KKAFHN O=C(Nc1ccc(-n2nccn2)nc1)N1CCC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)CC1 ZINC000103260736 562821231 /nfs/dbraw/zinc/82/12/31/562821231.db2.gz BQRNKAAATNSNDN-UHFFFAOYSA-N 0 3 558.086 6.018 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cc2c(cc1Cl)OCO2 ZINC000114097506 562827583 /nfs/dbraw/zinc/82/75/83/562827583.db2.gz ASMVRJQSDPPCKK-KRWDZBQOSA-N 0 3 523.457 5.294 1 0 KKAFHN COc1ccc(C)cc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099604 562827652 /nfs/dbraw/zinc/82/76/52/562827652.db2.gz UVFGVILYSLAPSS-JOCHJYFZSA-N 0 3 501.067 5.325 1 0 KKAFHN COc1ccc(C)cc1CN1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099586 562827660 /nfs/dbraw/zinc/82/76/60/562827660.db2.gz JLCSBEYIVBVEFV-HSZRJFAPSA-N 0 3 515.094 5.715 1 0 KKAFHN O=S(=O)([N-]CCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1c(Cl)nc2sccn21 ZINC000117350928 562829756 /nfs/dbraw/zinc/82/97/56/562829756.db2.gz WTRRMIIIWYZWES-JOCHJYFZSA-N 0 3 577.559 5.369 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@@H]3C)n1 ZINC000138445165 562831847 /nfs/dbraw/zinc/83/18/47/562831847.db2.gz YCYJCQNPVKDAGA-QGZVFWFLSA-N 0 3 616.616 5.350 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2ccon2)n1 ZINC000138517802 562831967 /nfs/dbraw/zinc/83/19/67/562831967.db2.gz DANBJJPBOFDHRV-UHFFFAOYSA-N 0 3 568.556 5.519 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960167 562832243 /nfs/dbraw/zinc/83/22/43/562832243.db2.gz PZINVJUNZRLUIM-WJOKGBTCSA-N 0 3 547.707 5.856 1 0 KKAFHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@H](c1ccc(Br)cc1)c1ccc(I)cc1)N2C ZINC000140620315 562833238 /nfs/dbraw/zinc/83/32/38/562833238.db2.gz BHKDMCGCJODKJK-LILSUDLASA-N 0 3 570.265 5.184 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000140621981 562833260 /nfs/dbraw/zinc/83/32/60/562833260.db2.gz KGZHVIDVIHNVRI-UHFFFAOYSA-N 0 3 554.552 5.024 1 0 KKAFHN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCCN(CC2CC2)C1 ZINC000140844367 562833319 /nfs/dbraw/zinc/83/33/19/562833319.db2.gz ZQTLLEQBUNKYFU-QHCPKHFHSA-N 0 3 500.483 5.864 1 0 KKAFHN Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2c1Br ZINC000141604496 562833679 /nfs/dbraw/zinc/83/36/79/562833679.db2.gz PPMXORITWNSKAE-UHFFFAOYSA-N 0 3 577.490 5.914 1 0 KKAFHN F[C@@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@@H](F)CN7)cc6o5)s4)[nH]c3c2)NC1 ZINC000143832248 562835322 /nfs/dbraw/zinc/83/53/22/562835322.db2.gz LXNPUYHFEXOYGF-UHFFFAOYSA-N 0 3 515.589 5.685 1 0 KKAFHN CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326443 562836151 /nfs/dbraw/zinc/83/61/51/562836151.db2.gz STDFAKVCYZKPQE-RPWUZVMVSA-N 0 3 527.815 8.587 1 0 KKAFHN CCN1CCC(NC(=O)c2cc(OC)c(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)cc2Cl)CC1 ZINC000145979407 562837897 /nfs/dbraw/zinc/83/78/97/562837897.db2.gz IPQZUXQCNLEFKG-UHFFFAOYSA-N 0 3 619.044 5.493 1 0 KKAFHN CCc1cc(C(=O)N[C@@H]2CCCN(C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145978013 562837908 /nfs/dbraw/zinc/83/79/08/562837908.db2.gz FNCQKBUUNUZWGP-HXUWFJFHSA-N 0 3 553.585 5.547 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000146815706 562838826 /nfs/dbraw/zinc/83/88/26/562838826.db2.gz AMISYPQMTJLNGZ-NDEPHWFRSA-N 0 3 514.695 6.426 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N(C)CCN5CCCC5)nc43)c2)cc1C(F)(F)F ZINC000148073521 562840126 /nfs/dbraw/zinc/84/01/26/562840126.db2.gz PYRDSDKNILHXDP-UHFFFAOYSA-N 0 3 584.578 5.114 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148154359 562840342 /nfs/dbraw/zinc/84/03/42/562840342.db2.gz LOLPWVLKMOEDAR-UHFFFAOYSA-N 0 3 593.658 5.341 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccncc3)nc21 ZINC000148155072 562840378 /nfs/dbraw/zinc/84/03/78/562840378.db2.gz DGLXHYSQPSEHFA-UHFFFAOYSA-N 0 3 630.679 5.748 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148204859 562840563 /nfs/dbraw/zinc/84/05/63/562840563.db2.gz QSIALDLOYSQWDA-UHFFFAOYSA-N 0 3 558.996 5.394 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Sc2ccccc2)n1 ZINC000148457133 562841356 /nfs/dbraw/zinc/84/13/56/562841356.db2.gz PMCHLZDJYXKPOE-UHFFFAOYSA-N 0 3 517.577 5.223 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(F)c2C(C)=O)n1 ZINC000148452569 562841358 /nfs/dbraw/zinc/84/13/58/562841358.db2.gz SWBMJIMNIMSJGP-UHFFFAOYSA-N 0 3 561.536 5.206 1 0 KKAFHN O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4F)CC3)cc2N1 ZINC000148608598 562841507 /nfs/dbraw/zinc/84/15/07/562841507.db2.gz TUDBHIHVRZUNSF-UHFFFAOYSA-N 0 3 526.656 5.695 1 0 KKAFHN CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC)ncc1Cl ZINC000148734657 562841705 /nfs/dbraw/zinc/84/17/05/562841705.db2.gz XBAUQTADQOFONU-UHFFFAOYSA-N 0 3 612.159 5.870 1 0 KKAFHN C[C@@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1)[C@@H](C)CCCc1ccc(F)cc1 ZINC000148778696 562841777 /nfs/dbraw/zinc/84/17/77/562841777.db2.gz NNWHHZWGFMXAIM-BJKOFHAPSA-N 0 3 513.697 8.124 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2OCC3)C1 ZINC000148843595 562841909 /nfs/dbraw/zinc/84/19/09/562841909.db2.gz SVZJPUWYVAXFNM-DEOSSOPVSA-N 0 3 513.078 5.333 1 0 KKAFHN COc1ccc(C2=NN(CCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000150591291 562846229 /nfs/dbraw/zinc/84/62/29/562846229.db2.gz YPPWGDDMIBSRAX-LRRHKRCYSA-N 0 3 686.850 5.834 1 0 KKAFHN Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(-c7ccccn7)nn6c(NC(C)C)c5-c5ccccc5)cc4)C3)n[nH]2)n1 ZINC000167403588 562850761 /nfs/dbraw/zinc/85/07/61/562850761.db2.gz YDQGQHBPNSJCQU-UHFFFAOYSA-N 0 3 633.764 6.429 1 0 KKAFHN Cc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc2n1 ZINC000167531308 562850932 /nfs/dbraw/zinc/85/09/32/562850932.db2.gz CIRLUEPNSNWHDA-UHFFFAOYSA-N 0 3 512.621 5.460 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCC1 ZINC000169290860 562851822 /nfs/dbraw/zinc/85/18/22/562851822.db2.gz KIMKESVEZODZRF-ISKFKSNPSA-N 0 3 526.690 6.012 1 0 KKAFHN O=C(Nc1ccccc1)N[C@@H]1CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000169294204 562852195 /nfs/dbraw/zinc/85/21/95/562852195.db2.gz MENBXQWQAZNXTG-RNAHPLFWSA-N 0 3 567.517 5.647 1 0 KKAFHN CC(=O)Nc1ccc(OC[C@@H](O)CN(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317494 562855952 /nfs/dbraw/zinc/85/59/52/562855952.db2.gz GLCDSMRSFSVQSW-RPLLCQBOSA-N 0 3 516.560 5.546 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1[O-] ZINC000169321636 562856701 /nfs/dbraw/zinc/85/67/01/562856701.db2.gz HJDXDXHHUVMBAQ-DHUJRADRSA-N 0 3 682.884 6.203 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5c(cc(F)cc5F)n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321702 562856738 /nfs/dbraw/zinc/85/67/38/562856738.db2.gz NAGSCCRSHRFUSD-UHFFFAOYSA-N 0 3 582.626 7.012 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169322872 562856903 /nfs/dbraw/zinc/85/69/03/562856903.db2.gz BXXHOABERBGUQR-UHFFFAOYSA-N 0 3 696.380 9.987 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324417 562857333 /nfs/dbraw/zinc/85/73/33/562857333.db2.gz LDXYGTJNLGRHJD-UHFFFAOYSA-N 0 3 577.773 6.993 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169324451 562857367 /nfs/dbraw/zinc/85/73/67/562857367.db2.gz FYPLUYWNEWRQIA-UHFFFAOYSA-N 0 3 584.164 6.866 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324443 562857373 /nfs/dbraw/zinc/85/73/73/562857373.db2.gz SAXDXBYFFVMTOF-UHFFFAOYSA-N 0 3 619.854 8.163 1 0 KKAFHN O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H](NCc4ccc5ccccc5c4Br)C3)cc2s1)C1CCCC1 ZINC000169327425 562858094 /nfs/dbraw/zinc/85/80/94/562858094.db2.gz DGHMJLURKSSNIB-GGAORHGYSA-N 0 3 605.602 7.628 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348461 562862256 /nfs/dbraw/zinc/86/22/56/562862256.db2.gz IKBYBHBSZPXPIL-BHVANESWSA-N 0 3 660.859 6.502 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cc(C)ccc1Cl)CC2 ZINC000169702194 562868260 /nfs/dbraw/zinc/86/82/60/562868260.db2.gz SSOOUEZQMNNMNK-UHFFFAOYSA-N 0 3 545.087 5.831 1 0 KKAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@H]4C)c(OC)c2)CC1 ZINC000169702413 562868336 /nfs/dbraw/zinc/86/83/36/562868336.db2.gz IZXDQHFACWSTOE-HXUWFJFHSA-N 0 3 616.166 5.450 1 0 KKAFHN CN1CCC(Oc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1 ZINC000200764877 562873424 /nfs/dbraw/zinc/87/34/24/562873424.db2.gz TYYJYNQSJRUHFJ-UHFFFAOYSA-N 0 3 575.660 5.748 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000203796980 562874171 /nfs/dbraw/zinc/87/41/71/562874171.db2.gz WKKSKJNWVQVTNS-LJQANCHMSA-N 0 3 518.017 5.538 1 0 KKAFHN CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CCCC3)cnc3ccc(-c4ccc([O-])c(Cl)c4)cc32)CC1 ZINC000203988633 562874259 /nfs/dbraw/zinc/87/42/59/562874259.db2.gz DZDARFCJHZAVHT-UHFFFAOYSA-N 0 3 520.117 7.699 1 0 KKAFHN Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCN(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205978021 562876041 /nfs/dbraw/zinc/87/60/41/562876041.db2.gz MDDWRIHIIAFAGR-NDEPHWFRSA-N 0 3 614.834 7.879 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)C1 ZINC000206718699 562876519 /nfs/dbraw/zinc/87/65/19/562876519.db2.gz IBBMVDZVJHYHGH-HSZRJFAPSA-N 0 3 564.082 7.308 1 0 KKAFHN C[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000209631477 562876908 /nfs/dbraw/zinc/87/69/08/562876908.db2.gz JVVLEVVEWJKNAY-TUBQVXALSA-N 0 3 752.949 6.568 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccccc4NC(=O)c4ccccc4)nn3)cc1)CC2 ZINC000209632873 562876924 /nfs/dbraw/zinc/87/69/24/562876924.db2.gz MTZFMAOBMQJWLH-UHFFFAOYSA-N 0 3 589.696 5.717 1 0 KKAFHN O=C(/C=C/CN1CCCCC1)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000214018807 562877268 /nfs/dbraw/zinc/87/72/68/562877268.db2.gz CROUCCLWECZKHT-PXPVJAHISA-N 0 3 526.012 5.314 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000215726605 562877428 /nfs/dbraw/zinc/87/74/28/562877428.db2.gz BSUROGRRTPDFFP-UHFFFAOYSA-N 0 3 520.073 6.174 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000219353419 562878097 /nfs/dbraw/zinc/87/80/97/562878097.db2.gz PRLCXMCWAAOYGC-UHFFFAOYSA-N 0 3 532.044 5.656 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000219350803 562878100 /nfs/dbraw/zinc/87/81/00/562878100.db2.gz GGFWXWRBUCEBMY-UHFFFAOYSA-N 0 3 503.990 5.020 1 0 KKAFHN O=C(NCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O ZINC000299828381 562884473 /nfs/dbraw/zinc/88/44/73/562884473.db2.gz IFILMVJXWCAHCS-UHFFFAOYSA-N 0 3 539.554 6.131 1 0 KKAFHN CN(C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000299831051 562885420 /nfs/dbraw/zinc/88/54/20/562885420.db2.gz IUDPPAXWQBHYHO-UHFFFAOYSA-N 0 3 516.609 6.078 1 0 KKAFHN COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1 ZINC000299831494 562885607 /nfs/dbraw/zinc/88/56/07/562885607.db2.gz QEFLNNDMCNSFHF-UHFFFAOYSA-N 0 3 505.666 5.738 1 0 KKAFHN O=C(CN(CC(=O)NC1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCCN1CCCC1 ZINC000299833658 562886212 /nfs/dbraw/zinc/88/62/12/562886212.db2.gz VLSQVTUZQYSNHL-UHFFFAOYSA-N 0 3 581.544 5.088 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@H]1CCc2ccccc2C1 ZINC000299834372 562886425 /nfs/dbraw/zinc/88/64/25/562886425.db2.gz XEOSNEZQGYRQBX-NDEPHWFRSA-N 0 3 609.598 5.820 1 0 KKAFHN Cc1nc(C(=O)NCCCCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299837040 562887369 /nfs/dbraw/zinc/88/73/69/562887369.db2.gz PBXMVNNJJHHBCU-UHFFFAOYSA-N 0 3 561.774 8.414 1 0 KKAFHN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000299837295 562887438 /nfs/dbraw/zinc/88/74/38/562887438.db2.gz PVXRLGDBKZOULP-PMERELPUSA-N 0 3 525.697 5.431 1 0 KKAFHN CC(C)Oc1ccc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)cc1Cl ZINC000299837684 562887613 /nfs/dbraw/zinc/88/76/13/562887613.db2.gz PCUZGOUHCKTGSC-SANMLTNESA-N 0 3 576.059 5.832 1 0 KKAFHN CN1CCC(Oc2ccc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000299840186 562888425 /nfs/dbraw/zinc/88/84/25/562888425.db2.gz VPVNIFGOWVZDER-UHFFFAOYSA-N 0 3 538.654 7.115 1 0 KKAFHN Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H](N)CCc1ccc(OCc2ccccc2)cc1 ZINC000299860602 562892980 /nfs/dbraw/zinc/89/29/80/562892980.db2.gz JJXYQZNYGWSPCB-HMIRPBQQSA-N 0 3 695.820 6.312 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299860806 562893021 /nfs/dbraw/zinc/89/30/21/562893021.db2.gz HEGWZHATVPIKRD-QNGWXLTQSA-N 0 3 585.833 8.177 1 0 KKAFHN CCN(CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864117 562894050 /nfs/dbraw/zinc/89/40/50/562894050.db2.gz LZNTUKFMGLSYSB-IEFDIXSJSA-N 0 3 559.710 6.182 1 0 KKAFHN CN(C)CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864792 562894204 /nfs/dbraw/zinc/89/42/04/562894204.db2.gz MVEOKWWWGIPPQA-DCERFKFHSA-N 0 3 545.683 5.792 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299866427 562894658 /nfs/dbraw/zinc/89/46/58/562894658.db2.gz OYMLEDQNEGJKIM-UHFFFAOYSA-N 0 3 573.738 5.092 1 0 KKAFHN CN1CC=C(c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)CC1 ZINC000299867560 562894890 /nfs/dbraw/zinc/89/48/90/562894890.db2.gz QHMGDMJRYVRKIL-UHFFFAOYSA-N 0 3 521.596 5.157 1 0 KKAFHN O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCCCn2c3ccccc3sc2=O)CC1 ZINC000473084581 562896913 /nfs/dbraw/zinc/89/69/13/562896913.db2.gz RXZPCJAIIANRCD-UHFFFAOYSA-N 0 3 552.810 5.878 1 0 KKAFHN Oc1ccc(C[C@H]2CN=C3C=C4N(CCc5ccccc5)[C@@H](Cc5ccc(O)cc5)CN4[C@@H](Cc4ccc(O)cc4)CN32)cc1 ZINC000473097959 562898003 /nfs/dbraw/zinc/89/80/03/562898003.db2.gz DXRGLCFSUDVPOX-ZDCRTTOTSA-N 0 3 600.763 5.367 1 0 KKAFHN CC[NH+](CC)CCNC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000473113812 562898821 /nfs/dbraw/zinc/89/88/21/562898821.db2.gz KMPJGKNDCOTNMA-UHFFFAOYSA-N 0 3 577.107 5.415 1 0 KKAFHN COc1cc2oc(-c3cccc(OCCCCCCN4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473115371 562899049 /nfs/dbraw/zinc/89/90/49/562899049.db2.gz SIMKSJKAOPAQBM-UHFFFAOYSA-N 0 3 586.729 6.243 1 0 KKAFHN CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@H+](CCC)CCc3ccc([O-])c4[nH]c(=O)ccc34)cc2OC)nn1 ZINC000473134084 562900462 /nfs/dbraw/zinc/90/04/62/562900462.db2.gz BOUDGQUEAMMTAE-UHFFFAOYSA-N 0 3 632.806 5.523 1 0 KKAFHN CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@@H+](CCC)CCc3ccc([O-])c4[nH]c(=O)ccc34)cc2OC)nn1 ZINC000473134084 562900463 /nfs/dbraw/zinc/90/04/63/562900463.db2.gz BOUDGQUEAMMTAE-UHFFFAOYSA-N 0 3 632.806 5.523 1 0 KKAFHN CC(C)N1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2 ZINC000473134964 562900577 /nfs/dbraw/zinc/90/05/77/562900577.db2.gz KEOZUNFWVFOURD-IARZGTGTSA-N 0 3 566.702 5.227 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc1)CC2 ZINC000473134990 562900580 /nfs/dbraw/zinc/90/05/80/562900580.db2.gz DQIYNAWJFAUJBY-UHFFFAOYSA-N 0 3 869.654 7.666 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc1)CC2 ZINC000473135362 562900685 /nfs/dbraw/zinc/90/06/85/562900685.db2.gz HSUBQAAPHGRWEN-UHFFFAOYSA-N 0 3 628.751 5.316 1 0 KKAFHN O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CC[C@@H](F)C1)CC2 ZINC000473145152 562901276 /nfs/dbraw/zinc/90/12/76/562901276.db2.gz KWNAEWYQYPOIBQ-SSEPRJSISA-N 0 3 555.543 5.387 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473146935 562901380 /nfs/dbraw/zinc/90/13/80/562901380.db2.gz DUACEZNSYNKOQI-WJOKGBTCSA-N 0 3 536.116 5.912 1 0 KKAFHN CC1(C)CC[C@]2(C(=O)NCCN3CCCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000473146784 562901401 /nfs/dbraw/zinc/90/14/01/562901401.db2.gz DHWCEVKZBWZXDS-JYBIBERPSA-N 0 3 568.887 6.333 1 0 KKAFHN CCCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(OC)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152125 562901782 /nfs/dbraw/zinc/90/17/82/562901782.db2.gz ODLNVGRMSRRORB-XGAFWQRZSA-N 0 3 510.078 6.206 1 0 KKAFHN O=C(Nc1ccccc1-c1ccc([O-])c(Cl)c1)OC1CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC000473156040 562902429 /nfs/dbraw/zinc/90/24/29/562902429.db2.gz SHHHPTFIRLSTIA-DHUJRADRSA-N 0 3 691.269 7.739 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(Cl)c3)c(=O)n2C)cc1F ZINC000474607061 562905347 /nfs/dbraw/zinc/90/53/47/562905347.db2.gz INMGRAZPRCTMSZ-UHFFFAOYSA-N 0 3 707.178 6.034 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(F)c3)c(=O)n2C)cc1F ZINC000474607058 562905375 /nfs/dbraw/zinc/90/53/75/562905375.db2.gz IMTFUFPOVPBIEH-UHFFFAOYSA-N 0 3 690.723 5.519 1 0 KKAFHN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1 ZINC000474609684 562905655 /nfs/dbraw/zinc/90/56/55/562905655.db2.gz SKZXSSPANHQDHW-UHFFFAOYSA-N 0 3 584.580 5.145 1 0 KKAFHN Cc1csc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCN(CCN(C)C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653679773 562906305 /nfs/dbraw/zinc/90/63/05/562906305.db2.gz KCFFECHLRNRECF-DEOSSOPVSA-N 0 3 592.817 6.289 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653696890 562907044 /nfs/dbraw/zinc/90/70/44/562907044.db2.gz WIDRYCGUMIGBRY-UHFFFAOYSA-N 0 3 565.571 7.081 1 0 KKAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000653712775 562908196 /nfs/dbraw/zinc/90/81/96/562908196.db2.gz GQVINRGNMJQUPC-UHFFFAOYSA-N 0 3 532.044 6.152 1 0 KKAFHN COc1ccc(-c2cc3ccc(OCCCN(C)Cc4cccc(OC(=O)NCCCCCc5ccccc5)c4)cc3oc2=O)cc1 ZINC000653830243 562914540 /nfs/dbraw/zinc/91/45/40/562914540.db2.gz VVVHTKDUIOCALE-UHFFFAOYSA-N 0 3 634.773 7.871 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1F ZINC000653857548 562915820 /nfs/dbraw/zinc/91/58/20/562915820.db2.gz VFTVILZVYXJKLN-UHFFFAOYSA-N 0 3 625.705 5.333 1 0 KKAFHN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916446 /nfs/dbraw/zinc/91/64/46/562916446.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 0 3 531.663 5.780 1 0 KKAFHN COc1cc2ccc1Oc1cc3c(cc1OC)CCN(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000070454474 565119599 /nfs/dbraw/zinc/11/95/99/565119599.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 0 3 622.762 7.162 1 0 biogenic,in-vitro KKAFHN COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C ZINC000095919042 565189233 /nfs/dbraw/zinc/18/92/33/565189233.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 0 3 608.735 6.440 1 0 biogenic,in-vitro KKAFHN CCC/C=C1\OC(=O)C2=C1CC[C@@]13C=C[C@H](NC)c4cccc(c4)-c4ccc(O)cc4C4=C5C(=O)O/C(=C\[C@H](CC)Cc6ccccc6)[C@]5(CC[C@@H]41)[C@@H]23 ZINC000085571344 291919921 /nfs/dbraw/zinc/91/99/21/291919921.db2.gz GJENNKBCJOKWME-LLZNSKANSA-N 0 3 705.895 9.697 1 0 biogenic,in-vitro KKAFHN CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632113 291949724 /nfs/dbraw/zinc/94/97/24/291949724.db2.gz DYSOZWQCAUMSDT-AFGDUHIRSA-N 0 3 785.958 6.855 1 0 biogenic,in-vitro KKAFHN O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CCN(CC1)CC2 ZINC000001483533 561675813 /nfs/dbraw/zinc/67/58/13/561675813.db2.gz MITDQFYCYRHNBC-DEOSSOPVSA-N 0 3 565.558 5.921 1 0 KKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C3CCCCC3)cn3ccccc23)cc1 ZINC000003809860 561682721 /nfs/dbraw/zinc/68/27/21/561682721.db2.gz DNVSHEVUODCBND-UHFFFAOYSA-N 0 3 524.771 7.491 1 0 KKAFHN COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000003917082 561685143 /nfs/dbraw/zinc/68/51/43/561685143.db2.gz QBKUPBPJZQRXGW-UHFFFAOYSA-N 0 3 630.830 5.951 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000003921846 561685779 /nfs/dbraw/zinc/68/57/79/561685779.db2.gz BCGZEKDZDMYASL-BHBYDHKZSA-N 0 3 560.138 6.319 1 0 KKAFHN CC(C)COC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000004391841 561694743 /nfs/dbraw/zinc/69/47/43/561694743.db2.gz ASJQQCPRNNEERR-UHFFFAOYSA-N 0 3 557.712 7.182 1 0 KKAFHN O=c1cc(NCCCN[C@H]2CCOc3c(Cl)cc(I)cc32)[nH]c2ccccc12 ZINC000009133394 561708831 /nfs/dbraw/zinc/70/88/31/561708831.db2.gz ZMEOOFNSEGBFRE-KRWDZBQOSA-N 0 3 509.775 5.114 1 0 KKAFHN CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OC1CCCCC1 ZINC000013533236 561717776 /nfs/dbraw/zinc/71/77/76/561717776.db2.gz BIJVUDDMIFVIGJ-NDEPHWFRSA-N 0 3 534.726 5.402 1 0 KKAFHN O=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588395 561720943 /nfs/dbraw/zinc/72/09/43/561720943.db2.gz CWQKVNKWLYIJAS-YTTGMZPUSA-N 0 3 515.697 7.947 1 0 KKAFHN COc1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000013643394 561722325 /nfs/dbraw/zinc/72/23/25/561722325.db2.gz SPNXADOKWAUMPQ-UHFFFAOYSA-N 0 3 514.453 5.665 1 0 KKAFHN COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643398 561722349 /nfs/dbraw/zinc/72/23/49/561722349.db2.gz UVSAHJWEJXWVGO-UHFFFAOYSA-N 0 3 514.453 5.665 1 0 in-vitro KKAFHN O=C(CCCc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675672 561724029 /nfs/dbraw/zinc/72/40/29/561724029.db2.gz WIIKLWSNLFQLLL-UHFFFAOYSA-N 0 3 503.090 6.970 1 0 KKAFHN O=C(CCCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675675 561724055 /nfs/dbraw/zinc/72/40/55/561724055.db2.gz XXQFKMLSSFZKTL-UHFFFAOYSA-N 0 3 517.117 7.360 1 0 KKAFHN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000013744550 561726577 /nfs/dbraw/zinc/72/65/77/561726577.db2.gz XHNPKKNIQBKPHA-KWXIBIRDSA-N 0 3 525.577 8.068 1 0 KKAFHN COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(F)c1 ZINC000013473320 561714369 /nfs/dbraw/zinc/71/43/69/561714369.db2.gz DIASBTZRVLJKDB-UHFFFAOYSA-N 0 3 526.652 5.965 1 0 KKAFHN COc1ccc(CN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781684 561729454 /nfs/dbraw/zinc/72/94/54/561729454.db2.gz AENYUXFGNVUDBE-MUUNZHRXSA-N 0 3 528.759 6.101 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4nc5ccccc5c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013800206 561730538 /nfs/dbraw/zinc/73/05/38/561730538.db2.gz RGTDBBNDZCCUAV-RVLOQZQWSA-N 0 3 502.614 5.307 1 0 KKAFHN O=C1CCN(CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013829801 561733269 /nfs/dbraw/zinc/73/32/69/561733269.db2.gz VBTKCUFWEXQSPZ-SANMLTNESA-N 0 3 509.513 6.060 1 0 KKAFHN O=C(C[C@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1)NCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014191024 561737390 /nfs/dbraw/zinc/73/73/90/561737390.db2.gz RMQZAKOLGVUVAD-YTTGMZPUSA-N 0 3 611.743 6.368 1 0 in-vivo KKAFHN CCCCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000014255608 561738591 /nfs/dbraw/zinc/73/85/91/561738591.db2.gz WMCJTEMIOYSTDL-VWLOTQADSA-N 0 3 563.783 7.190 1 0 KKAFHN CC(=O)N(CCCNc1c2ccccc2nc2c1CCCC2)CCCSc1c2ccccc2nc2c1CCCC2 ZINC000014946288 561743473 /nfs/dbraw/zinc/74/34/73/561743473.db2.gz TWECJTVNEQDUIG-UHFFFAOYSA-N 0 3 552.788 7.374 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947321 561744728 /nfs/dbraw/zinc/74/47/28/561744728.db2.gz GCPORJYZTJZXFH-RPBOFIJWSA-N 0 3 613.677 10.439 1 0 in-vivo KKAFHN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCCCC3)c3ccccc23)cc1 ZINC000014956560 561747690 /nfs/dbraw/zinc/74/76/90/561747690.db2.gz RTGVWXYTMRGERL-UHFFFAOYSA-N 0 3 525.697 7.140 1 0 KKAFHN O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)c1cccc2ccccc21 ZINC000014962022 561748549 /nfs/dbraw/zinc/74/85/49/561748549.db2.gz HQMXPAYDWPIZSY-UHFFFAOYSA-N 0 3 622.769 7.348 1 0 KKAFHN CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C1CCN(C)CC1 ZINC000014963750 561749187 /nfs/dbraw/zinc/74/91/87/561749187.db2.gz IFLAFCATJQGCIF-UHFFFAOYSA-N 0 3 565.954 6.739 1 0 KKAFHN CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)oc3c(F)c2)ccn1 ZINC000014965343 561749398 /nfs/dbraw/zinc/74/93/98/561749398.db2.gz QLSXSSVKJHMGDQ-INIZCTEOSA-N 0 3 525.968 5.384 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NCc4ccccc4)nc3n2)CC1 ZINC000021289438 561758832 /nfs/dbraw/zinc/75/88/32/561758832.db2.gz XARWOHKDCBRPBQ-UHFFFAOYSA-N 0 3 579.536 5.370 1 0 KKAFHN CO[C@@H](CSc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924718 561759624 /nfs/dbraw/zinc/75/96/24/561759624.db2.gz MLTMTBFVYXFOGY-MUUNZHRXSA-N 0 3 510.694 6.302 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941891 561761173 /nfs/dbraw/zinc/76/11/73/561761173.db2.gz HMVJROBJYQFKLV-GOTSBHOMSA-N 0 3 501.637 6.084 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC45CC6CC(CC(C6)C4)C5)nc3n2)CC1 ZINC000023357754 561761590 /nfs/dbraw/zinc/76/15/90/561761590.db2.gz PSGCJFMDGKOFIG-UHFFFAOYSA-N 0 3 623.633 6.138 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCCC2 ZINC000026008150 561765711 /nfs/dbraw/zinc/76/57/11/561765711.db2.gz CZOIKFCTLASDKV-UHFFFAOYSA-N 0 3 680.812 7.610 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000026013166 561766003 /nfs/dbraw/zinc/76/60/03/561766003.db2.gz ZCWOGLIPVLGIOM-UHFFFAOYSA-N 0 3 633.233 6.854 1 0 KKAFHN COc1ccc(C[C@@H](CN[C@@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168215 561769457 /nfs/dbraw/zinc/76/94/57/561769457.db2.gz JLQYRBBOFMIMNP-URXFXBBRSA-N 0 3 504.652 5.097 1 0 KKAFHN COc1ccc(C[C@H](CN[C@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168230 561769543 /nfs/dbraw/zinc/76/95/43/561769543.db2.gz JLQYRBBOFMIMNP-ZJSXRUAMSA-N 0 3 504.652 5.097 1 0 KKAFHN CCNC(=O)c1ccc(C(c2ccc(OC)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2Cl)cc1 ZINC000026246782 561773419 /nfs/dbraw/zinc/77/34/19/561773419.db2.gz JAJSMFLIMIJRDG-MKPDMIMOSA-N 0 3 501.070 6.727 1 0 KKAFHN CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295406 561781320 /nfs/dbraw/zinc/78/13/20/561781320.db2.gz ZABNQKMXHNVFGT-PTQZIYOYSA-N 0 3 726.959 5.639 1 0 KKAFHN COc1ccc([C@@H](CCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1ccnc1 ZINC000026267282 561776557 /nfs/dbraw/zinc/77/65/57/561776557.db2.gz CNORTMXIZFGKGH-DIPNUNPCSA-N 0 3 629.867 8.139 1 0 KKAFHN Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026268211 561776700 /nfs/dbraw/zinc/77/67/00/561776700.db2.gz CWRFGTWBBWBDRR-UIOOFZCWSA-N 0 3 539.720 5.686 1 0 KKAFHN COc1ccc2c(c1)CCN(CCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026269374 561776888 /nfs/dbraw/zinc/77/68/88/561776888.db2.gz QBYHJXFWLJFTMH-HKBQPEDESA-N 0 3 505.724 7.473 1 0 KKAFHN CC(C)(C)NC(=O)[C@H](CC1CCCCC1)N1CCC[C@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000026288544 561780190 /nfs/dbraw/zinc/78/01/90/561780190.db2.gz FZLZBVSWEAAWAB-ZBKIVJSUSA-N 0 3 529.766 5.203 1 0 KKAFHN c1nn(-c2ccccc2)c2ncnc(N3CCN([C@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)c12 ZINC000026505660 561796508 /nfs/dbraw/zinc/79/65/08/561796508.db2.gz BLWAOIOYJZOAMQ-JGCGQSQUSA-N 0 3 522.656 6.394 1 0 KKAFHN COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026575107 561799055 /nfs/dbraw/zinc/79/90/55/561799055.db2.gz LZVZRPUWGPOYBB-UHFFFAOYSA-N 0 3 616.803 5.560 1 0 KKAFHN O[C@H](Cn1cnc2c1ncnc2-c1ccc2ccccc2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576505 561800352 /nfs/dbraw/zinc/80/03/52/561800352.db2.gz CGTJDJAUSDYKFM-HKBQPEDESA-N 0 3 554.698 5.415 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1 ZINC000026580116 561805443 /nfs/dbraw/zinc/80/54/43/561805443.db2.gz RNOFTLUOCWYLNW-KCIZENJTSA-N 0 3 584.613 6.810 1 0 KKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000026642877 561807001 /nfs/dbraw/zinc/80/70/01/561807001.db2.gz VINPBPAOFNCDSB-IZZNHLLZSA-N 0 3 544.017 5.641 1 0 KKAFHN NC(=O)CN(C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000026646636 561807531 /nfs/dbraw/zinc/80/75/31/561807531.db2.gz CTZPHFPVMZJNIP-UHFFFAOYSA-N 0 3 612.730 5.410 1 0 KKAFHN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCCN(C)C)C1 ZINC000026648333 561807920 /nfs/dbraw/zinc/80/79/20/561807920.db2.gz MZGOTFSCFZHBNK-PMERELPUSA-N 0 3 578.802 5.411 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026672405 561812744 /nfs/dbraw/zinc/81/27/44/561812744.db2.gz AOMZRTTZRBZOAC-RWYGWLOXSA-N 0 3 687.841 6.274 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CNC(c2ccccc2)c2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672858 561812876 /nfs/dbraw/zinc/81/28/76/561812876.db2.gz UTVDTDOKYZNOBC-UHFFFAOYSA-N 0 3 590.171 7.935 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674620 561813636 /nfs/dbraw/zinc/81/36/36/561813636.db2.gz XHIAYAAKBSHSOX-DHUJRADRSA-N 0 3 596.728 5.358 1 0 KKAFHN CC(C)Oc1cccc(CC(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c1 ZINC000026718015 561814540 /nfs/dbraw/zinc/81/45/40/561814540.db2.gz GHVPKFCDNOFWEW-USYZEHPZSA-N 0 3 730.881 7.437 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719270 561814782 /nfs/dbraw/zinc/81/47/82/561814782.db2.gz IZZUBZVQYLQGPC-UHFFFAOYSA-N 0 3 617.625 7.027 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026721069 561815174 /nfs/dbraw/zinc/81/51/74/561815174.db2.gz VDAMCZUHIJCJPK-HUESYALOSA-N 0 3 704.843 7.018 1 0 KKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026728234 561816278 /nfs/dbraw/zinc/81/62/78/561816278.db2.gz BNKGLONSJXLHNY-PFFZYSGCSA-N 0 3 520.629 5.152 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5OCc5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026729837 561816697 /nfs/dbraw/zinc/81/66/97/561816697.db2.gz RXOYYGMYKUAUNP-RVLOQZQWSA-N 0 3 520.629 5.152 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)[C@@H](c2cccc(-c3cccnc3)c2)C1C(=O)OCC ZINC000026744367 561818531 /nfs/dbraw/zinc/81/85/31/561818531.db2.gz DFYRHGJYRCVNFA-RFRSNRLQSA-N 0 3 525.649 6.062 1 0 KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 ZINC000026835809 561824397 /nfs/dbraw/zinc/82/43/97/561824397.db2.gz VSJPOGSOFYKAOZ-QNGWXLTQSA-N 0 3 608.758 6.288 1 0 KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 ZINC000026840631 561825688 /nfs/dbraw/zinc/82/56/88/561825688.db2.gz MVPFSLAMRFZZRY-PSXMRANNSA-N 0 3 594.731 5.898 1 0 KKAFHN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 ZINC000026960304 561829566 /nfs/dbraw/zinc/82/95/66/561829566.db2.gz SUEFKCGTIDVUOI-SANMLTNESA-N 0 3 573.612 6.046 1 0 KKAFHN CCOC(=O)C1C(C)=NC(=S)N(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026968692 561830176 /nfs/dbraw/zinc/83/01/76/561830176.db2.gz PKVDFWRNVZYXLU-DJWLMZILSA-N 0 3 547.599 6.025 1 0 KKAFHN CCOC(=O)C1C(C)=NC(=S)N(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000026969478 561830289 /nfs/dbraw/zinc/83/02/89/561830289.db2.gz DTZAAXDHXCAIEY-MOBKVPTQSA-N 0 3 535.588 5.883 1 0 KKAFHN Cc1cccc([O-])c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026994007 561832982 /nfs/dbraw/zinc/83/29/82/561832982.db2.gz KFQDPQKXTSWQOC-SFTDATJTSA-N 0 3 561.508 5.067 1 0 KKAFHN Cc1cccc([O-])c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026994007 561832984 /nfs/dbraw/zinc/83/29/84/561832984.db2.gz KFQDPQKXTSWQOC-SFTDATJTSA-N 0 3 561.508 5.067 1 0 KKAFHN COc1cc(/C=C/C=C/C(=O)NCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000027213424 561847664 /nfs/dbraw/zinc/84/76/64/561847664.db2.gz JQBGXQUXDFQQNI-BPNXTJCCSA-N 0 3 512.650 5.357 1 0 KKAFHN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)/C(=N/OCCN3CCCC3)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412523 561856537 /nfs/dbraw/zinc/85/65/37/561856537.db2.gz ATEHWGPRICGPOU-CCPQXYFISA-N 0 3 548.768 7.138 1 0 KKAFHN CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431950 561859535 /nfs/dbraw/zinc/85/95/35/561859535.db2.gz VLRKCLYSNVDLNZ-PBBNMVCDSA-N 0 3 572.768 5.052 1 0 KKAFHN CN(C[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517800 561861568 /nfs/dbraw/zinc/86/15/68/561861568.db2.gz BECWCZRLWGOCHQ-AREMUKBSSA-N 0 3 555.607 6.417 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027550850 561867937 /nfs/dbraw/zinc/86/79/37/561867937.db2.gz BVILLZIQPZNAQJ-JGCGQSQUSA-N 0 3 601.694 6.094 1 0 KKAFHN CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)C[C@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564674 561872046 /nfs/dbraw/zinc/87/20/46/561872046.db2.gz UMICGKRYLVIYSJ-RUZDIDTESA-N 0 3 554.624 7.181 1 0 KKAFHN Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1 ZINC000027620913 561872577 /nfs/dbraw/zinc/87/25/77/561872577.db2.gz IHKXHYSWZMLTBZ-LMUOQGPPSA-N 0 3 544.695 5.917 1 0 KKAFHN CCCCc1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705956 561878756 /nfs/dbraw/zinc/87/87/56/561878756.db2.gz JSSSKYCPNUOBGL-CZIZESTLSA-N 0 3 510.726 5.741 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(F)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027705911 561878759 /nfs/dbraw/zinc/87/87/59/561878759.db2.gz NXKJUGPOZWOVPC-UHFFFAOYSA-N 0 3 604.682 6.497 1 0 KKAFHN O=C(/C=C/c1ccc(Oc2ccccc2)nc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027655831 561877523 /nfs/dbraw/zinc/87/75/23/561877523.db2.gz KHFBZGCVIWDUMD-CZIZESTLSA-N 0 3 546.715 6.191 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(Cl)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027707565 561878954 /nfs/dbraw/zinc/87/89/54/561878954.db2.gz WBHJVSYCARQJAN-UHFFFAOYSA-N 0 3 621.137 7.011 1 0 KKAFHN COc1ccc([C@@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736162 561881855 /nfs/dbraw/zinc/88/18/55/561881855.db2.gz AEKRAIGQUFARMX-FTJBHMTQSA-N 0 3 508.615 5.110 1 0 KKAFHN COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742403 561882656 /nfs/dbraw/zinc/88/26/56/561882656.db2.gz YZWWEMUJDZEDSE-IZZNHLLZSA-N 0 3 525.070 5.624 1 0 KKAFHN COc1ccccc1N1CCN(CCC[C@@]2(c3ccc(F)cc3)OCCc3cc(OC)c(OC)cc32)CC1 ZINC000027884708 561889434 /nfs/dbraw/zinc/88/94/34/561889434.db2.gz HSQHFFBLIVRFMK-HKBQPEDESA-N 0 3 520.645 5.270 1 0 KKAFHN COc1cc2c(cc1OCCN1CCC(CO)CC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027997754 561894154 /nfs/dbraw/zinc/89/41/54/561894154.db2.gz DZWNRLQHJUUWFF-UHFFFAOYSA-N 0 3 555.719 7.160 1 0 KKAFHN CCCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028010068 561896253 /nfs/dbraw/zinc/89/62/53/561896253.db2.gz KDBYGNXOSUZUDJ-UQDPWRLZSA-N 0 3 596.860 7.007 1 0 KKAFHN CCCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028010068 561896254 /nfs/dbraw/zinc/89/62/54/561896254.db2.gz KDBYGNXOSUZUDJ-UQDPWRLZSA-N 0 3 596.860 7.007 1 0 KKAFHN Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1SC(F)(F)F ZINC000028118755 561904235 /nfs/dbraw/zinc/90/42/35/561904235.db2.gz UWMGDPVBUXESEM-QFIPXVFZSA-N 0 3 529.559 5.485 1 0 KKAFHN NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNC[C@@H]1CCCO1 ZINC000028124884 561904754 /nfs/dbraw/zinc/90/47/54/561904754.db2.gz BHFJQXAFTZBCCB-BHVANESWSA-N 0 3 660.859 5.342 1 0 KKAFHN Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(-c2nc3cc(C(=O)NCCN4CCCCC4)ccc3[nH]2)n(C)c1 ZINC000028252199 561911131 /nfs/dbraw/zinc/91/11/31/561911131.db2.gz OYCPGVABDCYUQL-UHFFFAOYSA-N 0 3 633.178 5.342 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CC[C@@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234835 561909573 /nfs/dbraw/zinc/90/95/73/561909573.db2.gz NMMHDJMVQJIRJO-TUXGATLDSA-N 0 3 540.695 5.502 1 0 KKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CC[C@@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234835 561909574 /nfs/dbraw/zinc/90/95/74/561909574.db2.gz NMMHDJMVQJIRJO-TUXGATLDSA-N 0 3 540.695 5.502 1 0 KKAFHN CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(N)cc1 ZINC000028380666 561920011 /nfs/dbraw/zinc/92/00/11/561920011.db2.gz JSAIZRIJWCBVTM-QHCPKHFHSA-N 0 3 526.508 5.805 1 0 KKAFHN COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1 ZINC000028390493 561922105 /nfs/dbraw/zinc/92/21/05/561922105.db2.gz PBOFLUMIUBFFIE-VWLOTQADSA-N 0 3 575.641 5.221 1 0 KKAFHN CC[C@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000028459758 561924793 /nfs/dbraw/zinc/92/47/93/561924793.db2.gz JZWPGSFFJGSHMD-NDEPHWFRSA-N 0 3 528.649 5.538 1 0 KKAFHN FC(F)(F)c1nc2n(c3ccccc3n2-c2ccc(Cl)cc2Cl)c1CN(CC1CC1)CC1CC1 ZINC000028460145 561924871 /nfs/dbraw/zinc/92/48/71/561924871.db2.gz QHDXBOVZVONZJG-UHFFFAOYSA-N 0 3 507.387 7.226 1 0 KKAFHN CCOc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F ZINC000028477777 561928742 /nfs/dbraw/zinc/92/87/42/561928742.db2.gz GVDSXDNAIPJAFW-QHCPKHFHSA-N 0 3 545.508 5.121 1 0 KKAFHN CCCN1[C@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@@H]1C ZINC000028522916 561929687 /nfs/dbraw/zinc/92/96/87/561929687.db2.gz ZWKRKMCSEOLRAV-PLQXJYEYSA-N 0 3 548.731 6.731 1 0 KKAFHN COc1cc(-c2cc(SC)n(-c3nc(N4CCN(Cc5ccccc5)CC4)nc(N4CCN(Cc5ccccc5)CC4)n3)n2)cc(OC)c1OC ZINC000028528064 561932776 /nfs/dbraw/zinc/93/27/76/561932776.db2.gz JAASTWRHKRJCHC-UHFFFAOYSA-N 0 3 707.905 5.116 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCc3ccccc3)cs2)cc1 ZINC000028523517 561930249 /nfs/dbraw/zinc/93/02/49/561930249.db2.gz WESYVJWTVCWXOW-XIFFEERXSA-N 0 3 597.806 6.186 1 0 KKAFHN COc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523904 561930606 /nfs/dbraw/zinc/93/06/06/561930606.db2.gz VGXGGSFQUCVCSE-RUZDIDTESA-N 0 3 504.597 5.527 1 0 KKAFHN CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(CN(C)C)cc2C(=O)[O-])c1F)C(C)C ZINC000028570437 561938720 /nfs/dbraw/zinc/93/87/20/561938720.db2.gz IJKQAGYWUDAABY-UHFFFAOYSA-N 0 3 541.599 5.611 1 0 KKAFHN COc1ccc(C(c2ccc(OC)cc2)=C2C[C@H](c3ccc(OCCN4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604464 561940681 /nfs/dbraw/zinc/94/06/81/561940681.db2.gz QLVVURMRPGJPEO-PSXMRANNSA-N 0 3 591.748 8.060 1 0 KKAFHN O=C(CCOc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000028637611 561941837 /nfs/dbraw/zinc/94/18/37/561941837.db2.gz IXWRDMDQHRVXPS-UHFFFAOYSA-N 0 3 505.062 6.416 1 0 KKAFHN O=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNC[C@@H]1CCCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000028640514 561942911 /nfs/dbraw/zinc/94/29/11/561942911.db2.gz LDBKYPUSVXWURX-DHUJRADRSA-N 0 3 603.807 6.144 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646422 561945359 /nfs/dbraw/zinc/94/53/59/561945359.db2.gz SHSTUQYXVMYBBE-UUWRZZSWSA-N 0 3 596.757 6.829 1 0 KKAFHN CN1CCN([C@@H](CN2CCN(CCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646110 561944837 /nfs/dbraw/zinc/94/48/37/561944837.db2.gz HACIOHWUGCOLEL-YTTGMZPUSA-N 0 3 502.722 5.298 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCCc3c(O)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646266 561944887 /nfs/dbraw/zinc/94/48/87/561944887.db2.gz XLLUJHDMWQXGMF-JGCGQSQUSA-N 0 3 532.748 5.392 1 0 KKAFHN COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000028709294 561950628 /nfs/dbraw/zinc/95/06/28/561950628.db2.gz XUKMGDYJPVBSDG-UUWRZZSWSA-N 0 3 566.723 6.542 1 0 KKAFHN COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCCN(C)C)cc2)cc1 ZINC000028709285 561950660 /nfs/dbraw/zinc/95/06/60/561950660.db2.gz BCBBFKYJEZTSLR-JGCGQSQUSA-N 0 3 540.685 6.008 1 0 KKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704253 561948523 /nfs/dbraw/zinc/94/85/23/561948523.db2.gz ZHEYTIRGUSABKH-MUUNZHRXSA-N 0 3 582.166 6.021 1 0 KKAFHN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccncc5)cc4)CC3)C2=O)c1 ZINC000028704492 561948560 /nfs/dbraw/zinc/94/85/60/561948560.db2.gz FLYSTSPNPXBSFJ-UHFFFAOYSA-N 0 3 550.634 5.900 1 0 KKAFHN COc1ccc(C2=NO[C@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC ZINC000028712808 561953496 /nfs/dbraw/zinc/95/34/96/561953496.db2.gz PBLLZSMBTAPYBH-HHHXNRCGSA-N 0 3 535.635 5.662 1 0 KKAFHN O=C(Cc1ccc(Cl)cc1Cl)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714018 561954483 /nfs/dbraw/zinc/95/44/83/561954483.db2.gz RAQDPXJBICSOMR-UHFFFAOYSA-N 0 3 548.946 5.364 1 0 KKAFHN O=c1[nH]c2ccccc2n1C1CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765174 561959442 /nfs/dbraw/zinc/95/94/42/561959442.db2.gz ADXFJIYJEFFOSY-MGBGTMOVSA-N 0 3 591.583 6.814 1 0 KKAFHN Cc1c(/C=C/CN(C)Cc2ccccc2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000028765989 561959743 /nfs/dbraw/zinc/95/97/43/561959743.db2.gz KVIAFXPENGVEIA-MDWZMJQESA-N 0 3 532.475 6.919 1 0 KKAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817313 561964576 /nfs/dbraw/zinc/96/45/76/561964576.db2.gz VCZZEMKHLLGOGU-BMPTZRATSA-N 0 3 685.878 5.196 1 0 KKAFHN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C[C@H]4CCCO4)ccn32)n1)c1ccccc1 ZINC000028822153 561966743 /nfs/dbraw/zinc/96/67/43/561966743.db2.gz GTWJLVCVJTUVNI-WXVAWEFUSA-N 0 3 536.655 6.381 1 0 KKAFHN CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)CN2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824376 561969543 /nfs/dbraw/zinc/96/95/43/561969543.db2.gz UUGWWDUNCOPXGB-DEOSSOPVSA-N 0 3 600.682 6.068 1 0 KKAFHN CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)CN2CCC(c3coc4cc(F)ccc43)CC2)C1 ZINC000028824375 561969556 /nfs/dbraw/zinc/96/95/56/561969556.db2.gz WMOVJGHIZPEMGK-XMMPIXPASA-N 0 3 584.614 5.599 1 0 KKAFHN CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000028825736 561970955 /nfs/dbraw/zinc/97/09/55/561970955.db2.gz QQACNENYKQEBPA-BJKOFHAPSA-N 0 3 573.487 5.454 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)NCc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874973 561975469 /nfs/dbraw/zinc/97/54/69/561975469.db2.gz ISDZBFORXHKYAN-YTTGMZPUSA-N 0 3 584.761 5.567 1 0 KKAFHN COc1cc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)ccc1OCCN1CCCCC1 ZINC000028879192 561976213 /nfs/dbraw/zinc/97/62/13/561976213.db2.gz IOSKHROQBBQEOB-DEOSSOPVSA-N 0 3 528.653 6.021 1 0 KKAFHN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2n(C(=O)c2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1 ZINC000028892322 561978278 /nfs/dbraw/zinc/97/82/78/561978278.db2.gz OSAJOJOSELCPNF-GDLZYMKVSA-N 0 3 629.801 7.247 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(I)c2)c1 ZINC000028968534 561985513 /nfs/dbraw/zinc/98/55/13/561985513.db2.gz FDCNZRLOUMYVHJ-URLMMPGGSA-N 0 3 627.567 5.045 1 0 KKAFHN COc1ccc(NC(=O)[C@H](NCCc2ccncc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976278 561986737 /nfs/dbraw/zinc/98/67/37/561986737.db2.gz HHTASDRYKNUPBC-GDLZYMKVSA-N 0 3 551.672 5.652 1 0 KKAFHN OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000029042960 561991803 /nfs/dbraw/zinc/99/18/03/561991803.db2.gz VEQFEAJMLZOADG-UHFFFAOYSA-N 0 3 534.744 6.037 1 0 KKAFHN CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029043535 561992026 /nfs/dbraw/zinc/99/20/26/561992026.db2.gz AZYLFDYQQJPDQC-GKRYNVPLSA-N 0 3 593.039 7.454 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ccsc4)c3=O)CC2)C(C)C)c1 ZINC000029062409 561996043 /nfs/dbraw/zinc/99/60/43/561996043.db2.gz HCQKPNWGBSJSPN-GDLZYMKVSA-N 0 3 533.738 6.360 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4noc(C(C)(C)C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062218 561996049 /nfs/dbraw/zinc/99/60/49/561996049.db2.gz OVRPSSWJEBYDJJ-MUUNZHRXSA-N 0 3 575.754 5.979 1 0 KKAFHN Nc1nnc(-c2cnc(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)c(-c3ccccc3)c2)s1 ZINC000029125614 561997820 /nfs/dbraw/zinc/99/78/20/561997820.db2.gz OSJIEYWNBNVXOV-UHFFFAOYSA-N 0 3 506.635 5.461 1 0 KKAFHN CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1OCc1c(OC)c2ccccc2c(OC)c1C(F)(F)F ZINC000029134715 562004238 /nfs/dbraw/zinc/00/42/38/562004238.db2.gz CUNDWXXDJUICTG-UHFFFAOYSA-N 0 3 624.103 9.242 1 0 KKAFHN COc1c(C)c(CN(CCNc2ccnc3cc(Cl)ccc32)CC(C)(C)C)c(OC)c2ccccc21 ZINC000029134945 562004429 /nfs/dbraw/zinc/00/44/29/562004429.db2.gz OGRFAXUFZWCPOI-UHFFFAOYSA-N 0 3 506.090 7.327 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000029213270 562006005 /nfs/dbraw/zinc/00/60/05/562006005.db2.gz ILXBHSJAXBREPQ-KDXMTYKHSA-N 0 3 702.856 5.907 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000029213262 562006041 /nfs/dbraw/zinc/00/60/41/562006041.db2.gz ILXBHSJAXBREPQ-LDLOPFEMSA-N 0 3 702.856 5.907 1 0 KKAFHN O=C(NC1CCN(CC2=CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 ZINC000029223735 562007616 /nfs/dbraw/zinc/00/76/16/562007616.db2.gz FPZDCVJXZBDHJM-UHFFFAOYSA-N 0 3 588.384 7.310 1 0 KKAFHN CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335830 562014290 /nfs/dbraw/zinc/01/42/90/562014290.db2.gz LHMWCFQUSQQLNY-BTDRIEDLSA-N 0 3 653.716 7.527 1 0 KKAFHN CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335834 562014354 /nfs/dbraw/zinc/01/43/54/562014354.db2.gz LHMWCFQUSQQLNY-NLZDTVHJSA-N 0 3 653.716 7.527 1 0 KKAFHN CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2F)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341471 562015341 /nfs/dbraw/zinc/01/53/41/562015341.db2.gz VHKWEWIRNGEUJD-QFIPXVFZSA-N 0 3 506.430 5.969 1 0 KKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029397030 562018844 /nfs/dbraw/zinc/01/88/44/562018844.db2.gz OWEVFHDZQFKJLN-ZRTHHSRSSA-N 0 3 617.658 7.191 1 0 KKAFHN Clc1ccc2c(c1)nccc2NCCN(CCNc1ccnc2cc(Cl)ccc21)CCNc1ccnc2cc(Cl)ccc21 ZINC000029401889 562019908 /nfs/dbraw/zinc/01/99/08/562019908.db2.gz UEZCYTHWXXNEJW-UHFFFAOYSA-N 0 3 631.011 8.230 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000029412366 562022095 /nfs/dbraw/zinc/02/20/95/562022095.db2.gz AMSRQIGFIHJSPY-UHFFFAOYSA-N 0 3 625.214 5.012 1 0 KKAFHN CCc1sc(CCc2cc(OCC(C)(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029470444 562025404 /nfs/dbraw/zinc/02/54/04/562025404.db2.gz OJSLUAPRRBQNFU-UHFFFAOYSA-N 0 3 559.176 7.841 1 0 KKAFHN COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCC4CCCCC4)n3c2=O)c1 ZINC000029471006 562025553 /nfs/dbraw/zinc/02/55/53/562025553.db2.gz GFEWDLGYMBDDCC-UHFFFAOYSA-N 0 3 544.715 6.635 1 0 KKAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470949 562025581 /nfs/dbraw/zinc/02/55/81/562025581.db2.gz QWLVQDXAULJUAE-PQFNOMFPSA-N 0 3 708.003 5.437 1 0 KKAFHN CCc1sc(CCc2cc(O[C@H](C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029473648 562025917 /nfs/dbraw/zinc/02/59/17/562025917.db2.gz ZVDPFDLAGLHKAY-GOSISDBHSA-N 0 3 561.148 6.830 1 0 KKAFHN O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029481043 562027407 /nfs/dbraw/zinc/02/74/07/562027407.db2.gz XYAFVDFICPHKGL-UHFFFAOYSA-N 0 3 566.696 6.834 1 0 KKAFHN CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029474277 562026234 /nfs/dbraw/zinc/02/62/34/562026234.db2.gz FOFPUTCEGYWXSQ-UHFFFAOYSA-N 0 3 573.159 6.974 1 0 KKAFHN CN1CN(c2ccc(F)cc2)C2(CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029487017 562028496 /nfs/dbraw/zinc/02/84/96/562028496.db2.gz ZMOJZPYLQIUEOJ-UHFFFAOYSA-N 0 3 508.588 5.403 1 0 KKAFHN COC(=O)Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029560849 562033079 /nfs/dbraw/zinc/03/30/79/562033079.db2.gz RHPOMFKGCSPNLF-UHFFFAOYSA-N 0 3 502.590 5.488 1 0 KKAFHN c1ccc(CCN2CCC(N(Cc3ccccc3)c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029566407 562034559 /nfs/dbraw/zinc/03/45/59/562034559.db2.gz RXEDATWQBKXUNH-UHFFFAOYSA-N 0 3 500.690 6.798 1 0 KKAFHN COc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(OC)cc5n5cccc45)CC3)c3cccn3c2c1 ZINC000029571998 562035856 /nfs/dbraw/zinc/03/58/56/562035856.db2.gz JNPDLSUWEDLIQO-UHFFFAOYSA-N 0 3 592.748 5.227 1 0 KKAFHN CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755082 562037513 /nfs/dbraw/zinc/03/75/13/562037513.db2.gz CEWVFZWVXADRCT-GOTSBHOMSA-N 0 3 513.788 8.197 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000034038687 562038082 /nfs/dbraw/zinc/03/80/82/562038082.db2.gz RCZXTMTXMHGQDY-GJZGRUSLSA-N 0 3 501.077 5.399 1 0 KKAFHN Cc1ccc(-c2nn(CCCCCCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801013 562041090 /nfs/dbraw/zinc/04/10/90/562041090.db2.gz TWBJAMDCEKXUDK-UHFFFAOYSA-N 0 3 529.128 6.798 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000034804138 562042950 /nfs/dbraw/zinc/04/29/50/562042950.db2.gz GMSUBXAFZHGFIG-MHZLTWQESA-N 0 3 563.586 6.551 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160536 562048535 /nfs/dbraw/zinc/04/85/35/562048535.db2.gz VTGXHIKOJDKECN-WEZIJMHWSA-N 0 3 610.843 7.833 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160528 562048553 /nfs/dbraw/zinc/04/85/53/562048553.db2.gz JEOIMYUIHSWTEE-NDKRRWIDSA-N 0 3 613.818 7.581 1 0 KKAFHN O=C(CCc1ccccc1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc2ccccc2c1 ZINC000035881221 562045672 /nfs/dbraw/zinc/04/56/72/562045672.db2.gz JLXHGFWAMLYKBM-UHFFFAOYSA-N 0 3 507.634 6.029 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000036285765 562054531 /nfs/dbraw/zinc/05/45/31/562054531.db2.gz CKYBCMOIKHZIMK-HXOBKFHXSA-N 0 3 530.462 6.586 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000036310770 562054978 /nfs/dbraw/zinc/05/49/78/562054978.db2.gz POQAFSKCCQVOAP-DFHRPNOPSA-N 0 3 569.681 5.215 1 0 KKAFHN CN(C[C@H](CCN1CCC[C@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322413 562055234 /nfs/dbraw/zinc/05/52/34/562055234.db2.gz BCMOURGLNMDTBL-DQEYMECFSA-N 0 3 565.545 7.022 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5Cl)s4)n[nH]c2-3)CC1 ZINC000036338836 562057273 /nfs/dbraw/zinc/05/72/73/562057273.db2.gz UQFZISWYRJDTJJ-UHFFFAOYSA-N 0 3 533.101 5.432 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3ccccc3Cl)s2)CC1 ZINC000036338836 562057275 /nfs/dbraw/zinc/05/72/75/562057275.db2.gz UQFZISWYRJDTJJ-UHFFFAOYSA-N 0 3 533.101 5.432 1 0 KKAFHN CON(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338823 562057382 /nfs/dbraw/zinc/05/73/82/562057382.db2.gz CXFVPKALCDVPST-UHFFFAOYSA-N 0 3 542.709 5.361 1 0 KKAFHN CON(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338823 562057383 /nfs/dbraw/zinc/05/73/83/562057383.db2.gz CXFVPKALCDVPST-UHFFFAOYSA-N 0 3 542.709 5.361 1 0 KKAFHN CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000036338854 562057474 /nfs/dbraw/zinc/05/74/74/562057474.db2.gz QDCNUYNTRDKBDB-UHFFFAOYSA-N 0 3 596.679 6.019 1 0 KKAFHN CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000036338854 562057476 /nfs/dbraw/zinc/05/74/76/562057476.db2.gz QDCNUYNTRDKBDB-UHFFFAOYSA-N 0 3 596.679 6.019 1 0 KKAFHN Cc1cccc(NC(=O)OCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338874 562057547 /nfs/dbraw/zinc/05/75/47/562057547.db2.gz LYHXXYZDGNTNCQ-UHFFFAOYSA-N 0 3 513.667 5.514 1 0 KKAFHN Cc1cccc(NC(=O)OCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338874 562057550 /nfs/dbraw/zinc/05/75/50/562057550.db2.gz LYHXXYZDGNTNCQ-UHFFFAOYSA-N 0 3 513.667 5.514 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5cccc(C(F)(F)F)c5)s4)n[nH]c2-3)CC1 ZINC000036338875 562057610 /nfs/dbraw/zinc/05/76/10/562057610.db2.gz YBPBYWHVRLZISQ-UHFFFAOYSA-N 0 3 566.653 5.797 1 0 KKAFHN CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)s2)CC1 ZINC000036338875 562057611 /nfs/dbraw/zinc/05/76/11/562057611.db2.gz YBPBYWHVRLZISQ-UHFFFAOYSA-N 0 3 566.653 5.797 1 0 KKAFHN CC(C)C(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351559 562058706 /nfs/dbraw/zinc/05/87/06/562058706.db2.gz JXZADBNWQLAOLD-IWGZPIKUSA-N 0 3 570.153 5.665 1 0 KKAFHN CC(C)C(=O)Nc1ccc2c(c1)C[C@@H](N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351893 562059304 /nfs/dbraw/zinc/05/93/04/562059304.db2.gz KROXLQNVMVQKIP-VWLOTQADSA-N 0 3 544.115 5.103 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NC3CCN(C)CC3)ncc2c1 ZINC000036758590 562061437 /nfs/dbraw/zinc/06/14/37/562061437.db2.gz GSUDSWBWGLGBGN-UHFFFAOYSA-N 0 3 533.598 6.691 1 0 KKAFHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1 ZINC000038149719 562066116 /nfs/dbraw/zinc/06/61/16/562066116.db2.gz AADSFGMHGXEQDC-QFIPXVFZSA-N 0 3 593.130 5.286 1 0 KKAFHN CC(C)CCN1CC[C@H](C(C)C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150635 562066327 /nfs/dbraw/zinc/06/63/27/562066327.db2.gz RGFNFGSQVBRRIT-LOAGWBBBSA-N 0 3 564.767 6.058 1 0 KKAFHN CN(C(=O)COc1cccc(Cl)c1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000038228560 562070643 /nfs/dbraw/zinc/07/06/43/562070643.db2.gz NRFMYVIQTLQHOP-UHFFFAOYSA-N 0 3 505.968 5.651 1 0 KKAFHN COc1cccc(CCc2ccccc2OCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000040393044 562073921 /nfs/dbraw/zinc/07/39/21/562073921.db2.gz JGSPPIYFQDHZNR-UHFFFAOYSA-N 0 3 512.616 6.480 1 0 in-vitro KKAFHN CCCN1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040406601 562075062 /nfs/dbraw/zinc/07/50/62/562075062.db2.gz QTBXDXGNGINERX-UHFFFAOYSA-N 0 3 515.593 5.191 1 0 KKAFHN COc1cc(-n2cnc3cc(-c4ccc(Cl)c(Cl)c4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040828210 562080069 /nfs/dbraw/zinc/08/00/69/562080069.db2.gz CZDLKMLCDRFFRS-UHFFFAOYSA-N 0 3 516.450 5.904 1 0 KKAFHN COC(=O)[C@@](CCCN1CCN(Cc2cccc(C)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040895178 562083013 /nfs/dbraw/zinc/08/30/13/562083013.db2.gz GJNISUGDHSTIAF-HHHXNRCGSA-N 0 3 501.509 5.422 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000043064023 562645326 /nfs/dbraw/zinc/64/53/26/562645326.db2.gz BEXVBWGCOSRYDF-SSEXGKCCSA-N 0 3 550.600 6.538 1 0 KKAFHN CN1CCN(C(=O)NC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@@H](c2ccccc2)C1 ZINC000043065909 562645344 /nfs/dbraw/zinc/64/53/44/562645344.db2.gz HLFQPMNDRXUKAD-HHHXNRCGSA-N 0 3 525.619 5.159 1 0 KKAFHN O=C(N[C@H](c1ncc[nH]1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043069675 562645519 /nfs/dbraw/zinc/64/55/19/562645519.db2.gz PCLLBFUYVTXKME-VWLOTQADSA-N 0 3 522.575 5.272 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1c[nH]cn1)c1ccccc1 ZINC000043079432 562645774 /nfs/dbraw/zinc/64/57/74/562645774.db2.gz ZMTJXLBSJWMAHF-MUUNZHRXSA-N 0 3 521.587 5.727 1 0 KKAFHN O=C(N[C@@H](Cc1cnccn1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043080770 562645860 /nfs/dbraw/zinc/64/58/60/562645860.db2.gz SCNLJQQVOVIBKB-NDEPHWFRSA-N 0 3 548.613 5.534 1 0 KKAFHN CCN1CCN(CCCn2cc(-c3ccc4c(c3)ncn4-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cn2)CC1 ZINC000043152535 562646398 /nfs/dbraw/zinc/64/63/98/562646398.db2.gz XWUCTSMJFVUKTR-JOCHJYFZSA-N 0 3 618.207 5.870 1 0 KKAFHN CCCN(C(C)=O)C1CCN(CC[C@@](C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000043203083 562646950 /nfs/dbraw/zinc/64/69/50/562646950.db2.gz HGOGUZYKZRGMAO-LMSSTIIKSA-N 0 3 566.545 5.353 1 0 KKAFHN C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C[S@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3C4)CC[C@@H]12 ZINC000043511423 562648758 /nfs/dbraw/zinc/64/87/58/562648758.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 0 3 510.744 6.321 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000044281444 562653092 /nfs/dbraw/zinc/65/30/92/562653092.db2.gz YMPHEXNZJFTXKP-UHFFFAOYSA-N 0 3 616.718 6.366 1 0 KKAFHN FC(F)(F)c1ccc(Nc2nc(CNC3CCCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044352220 562655073 /nfs/dbraw/zinc/65/50/73/562655073.db2.gz UFCXYTPWHJOWBM-UHFFFAOYSA-N 0 3 545.531 7.895 1 0 KKAFHN O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044360468 562655582 /nfs/dbraw/zinc/65/55/82/562655582.db2.gz NJDAIEKCJUPYPX-UHFFFAOYSA-N 0 3 563.573 6.320 1 0 KKAFHN CCCCCN(CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044360427 562655604 /nfs/dbraw/zinc/65/56/04/562655604.db2.gz WHLXWLMPOJUMLS-SAIUNTKASA-N 0 3 604.707 8.015 1 0 KKAFHN CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044387311 562656075 /nfs/dbraw/zinc/65/60/75/562656075.db2.gz NQMSNOOJBWWGON-XNMGPUDCSA-N 0 3 552.612 5.676 1 0 KKAFHN CN(C)CCN(C)Cc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)cs1 ZINC000045167000 562657973 /nfs/dbraw/zinc/65/79/73/562657973.db2.gz HYZLXSJDCCGHQC-UHFFFAOYSA-N 0 3 509.679 6.888 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000045167131 562658005 /nfs/dbraw/zinc/65/80/05/562658005.db2.gz HWOCPLUABNVISS-PKNBQFBNSA-N 0 3 501.458 5.273 1 0 KKAFHN CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4C(F)(F)F)cs3)C2)cc1 ZINC000045186611 562658248 /nfs/dbraw/zinc/65/82/48/562658248.db2.gz LDCIPMKXLAJYAT-HXUWFJFHSA-N 0 3 500.630 6.983 1 0 KKAFHN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN(C)CCN(C)c1ccccc1 ZINC000045189901 562658476 /nfs/dbraw/zinc/65/84/76/562658476.db2.gz BGFYKKYIRZOLOA-IXUMQIDOSA-N 0 3 515.485 5.593 1 0 KKAFHN COCCNCc1cccc(-c2cc3nccc(Nc4ccc(Oc5ccccc5)cc4)c3cc2Cl)c1 ZINC000045192269 562658624 /nfs/dbraw/zinc/65/86/24/562658624.db2.gz MVQOGXUSDARQSD-UHFFFAOYSA-N 0 3 510.037 7.827 1 0 KKAFHN CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3c(cccc3CN3CCN(C)CC3)[nH]2)cs1 ZINC000045194977 562658843 /nfs/dbraw/zinc/65/88/43/562658843.db2.gz NYVYKJDPUZHNKL-UHFFFAOYSA-N 0 3 510.107 5.713 1 0 KKAFHN CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cccc(CN4CCN(C)CC4)c3[nH]2)cs1 ZINC000045194977 562658844 /nfs/dbraw/zinc/65/88/44/562658844.db2.gz NYVYKJDPUZHNKL-UHFFFAOYSA-N 0 3 510.107 5.713 1 0 KKAFHN Cc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1C ZINC000045201152 562658980 /nfs/dbraw/zinc/65/89/80/562658980.db2.gz ZVUORYVCOSJSRA-UHFFFAOYSA-N 0 3 503.690 6.931 1 0 KKAFHN Cc1c2[nH]c(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)nc2cc(Br)c1C ZINC000045226869 562659350 /nfs/dbraw/zinc/65/93/50/562659350.db2.gz SDIVBEVDGVYVJS-UHFFFAOYSA-N 0 3 517.471 6.004 1 0 KKAFHN Cc1c2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2cc(Br)c1C ZINC000045226869 562659351 /nfs/dbraw/zinc/65/93/51/562659351.db2.gz SDIVBEVDGVYVJS-UHFFFAOYSA-N 0 3 517.471 6.004 1 0 KKAFHN COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)[N-]Cc2ccccc2)s1 ZINC000045229139 562659594 /nfs/dbraw/zinc/65/95/94/562659594.db2.gz QCDHELTYBKAFHK-UHFFFAOYSA-N 0 3 504.677 5.159 1 0 KKAFHN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2nccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000045302054 562660572 /nfs/dbraw/zinc/66/05/72/562660572.db2.gz ZYLSWHVDPIIHRZ-GASCZTMLSA-N 0 3 501.077 5.399 1 0 KKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045303012 562660732 /nfs/dbraw/zinc/66/07/32/562660732.db2.gz OIFBUELYPUPUPV-UHFFFAOYSA-N 0 3 512.437 5.682 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000045303229 562660789 /nfs/dbraw/zinc/66/07/89/562660789.db2.gz ZSNSAYFVNXTFRN-PKNBQFBNSA-N 0 3 504.461 7.506 1 0 KKAFHN CSc1ccc2c(c1)[C@H](OCCN1CCC(O)(c3ccc(Cl)cc3)CC1)Cc1ccccc1S2 ZINC000045338280 562661494 /nfs/dbraw/zinc/66/14/94/562661494.db2.gz WDOGWXUNKBXJDV-RUZDIDTESA-N 0 3 512.140 6.811 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCCC1 ZINC000045495848 562662646 /nfs/dbraw/zinc/66/26/46/562662646.db2.gz XCWSAVXACRBMPF-JTHBVZDNSA-N 0 3 512.663 5.622 1 0 KKAFHN Cn1cc(Cc2cn(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C3CCN(C)CC3)c(SCc3cccc(F)c3F)nc2=O)cn1 ZINC000048307388 562663049 /nfs/dbraw/zinc/66/30/49/562663049.db2.gz LAEDPOCILZZEDW-UHFFFAOYSA-N 0 3 736.811 6.947 1 0 KKAFHN CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048998250 562663183 /nfs/dbraw/zinc/66/31/83/562663183.db2.gz BBKNZDXWDHCIOQ-HHHXNRCGSA-N 0 3 539.761 5.428 1 0 KKAFHN CCCC[C@H]1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049015655 562663261 /nfs/dbraw/zinc/66/32/61/562663261.db2.gz TUOGNBAQCBUIHK-NDEPHWFRSA-N 0 3 537.789 6.582 1 0 KKAFHN CCCC[C@@H]1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049015651 562663265 /nfs/dbraw/zinc/66/32/65/562663265.db2.gz TUOGNBAQCBUIHK-MUUNZHRXSA-N 0 3 537.789 6.582 1 0 KKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](Cc2ccc(NC(C)=O)s2)CC3)cc1 ZINC000049019484 562663338 /nfs/dbraw/zinc/66/33/38/562663338.db2.gz UOAUSRFWBALLMN-UHFFFAOYSA-N 0 3 511.713 5.451 1 0 KKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](Cc2ccc(NC(C)=O)s2)CC3)cc1 ZINC000049019484 562663339 /nfs/dbraw/zinc/66/33/39/562663339.db2.gz UOAUSRFWBALLMN-UHFFFAOYSA-N 0 3 511.713 5.451 1 0 KKAFHN COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3CN4C)cc2)ccc1F ZINC000049032882 562663422 /nfs/dbraw/zinc/66/34/22/562663422.db2.gz SRWHVBZLJOECLF-ZEQRLZLVSA-N 0 3 506.585 5.166 1 0 KKAFHN CC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c([O-])c4)c(-c4ccncc4)nn32)cc1 ZINC000049033754 562663441 /nfs/dbraw/zinc/66/34/41/562663441.db2.gz FBJYRNGBDFBGRM-ZEQRLZLVSA-N 0 3 506.585 5.253 1 0 KKAFHN CC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c([O-])c4)c(-c4ccncc4)nn32)cc1 ZINC000049033754 562663442 /nfs/dbraw/zinc/66/34/42/562663442.db2.gz FBJYRNGBDFBGRM-ZEQRLZLVSA-N 0 3 506.585 5.253 1 0 KKAFHN CSCCCC(=O)SCC[C@@H](CCCCC(=O)OCCN(C)C)SC(=O)CCCSC ZINC000049071045 562664176 /nfs/dbraw/zinc/66/41/76/562664176.db2.gz NEDNKFUXJWYOAB-LJQANCHMSA-N 0 3 511.841 5.216 1 0 KKAFHN CC(C)([NH3+])Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000049113188 562664639 /nfs/dbraw/zinc/66/46/39/562664639.db2.gz WBUKTLQDMQDLJA-UHFFFAOYSA-N 0 3 502.640 5.242 1 0 KKAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccccc2)s1)C1CCCCC1 ZINC000049114192 562664709 /nfs/dbraw/zinc/66/47/09/562664709.db2.gz ZMBDQSBUBMMIRB-QXWFJRNPSA-N 0 3 504.700 5.300 1 0 in-vitro KKAFHN CCCC[C@@H]1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049114612 562664714 /nfs/dbraw/zinc/66/47/14/562664714.db2.gz GSGHHANFVYYMSM-MHZLTWQESA-N 0 3 525.734 5.180 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000049604998 562665173 /nfs/dbraw/zinc/66/51/73/562665173.db2.gz MIPHERPUAFQKEK-FNORWQNLSA-N 0 3 593.404 6.043 1 0 KKAFHN COc1ccc2nc(-c3ccccc3)cc(NCCCNc3cc(-c4ccccc4)nc4ccc(OC)cc43)c2c1 ZINC000049605045 562665312 /nfs/dbraw/zinc/66/53/12/562665312.db2.gz VOMZOCWPZFDECG-UHFFFAOYSA-N 0 3 540.667 8.048 1 0 KKAFHN O=C(Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1)NCc1ccco1 ZINC000049605101 562665363 /nfs/dbraw/zinc/66/53/63/562665363.db2.gz RBFMRFYPOLGLOE-UHFFFAOYSA-N 0 3 661.164 8.914 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1/C=C/c1cccc(F)c1F ZINC000049605113 562665371 /nfs/dbraw/zinc/66/53/71/562665371.db2.gz JODPEKHHRGHVLA-OBGWFSINSA-N 0 3 718.771 7.073 1 0 KKAFHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2c(cc(C(F)(F)F)cc2Cl)[nH]1 ZINC000049605127 562665412 /nfs/dbraw/zinc/66/54/12/562665412.db2.gz MVIZVFMASJOECI-UHFFFAOYSA-N 0 3 542.989 6.305 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049605191 562665474 /nfs/dbraw/zinc/66/54/74/562665474.db2.gz QPNNRAMXKSXJRH-WUXMJOGZSA-N 0 3 569.480 6.134 1 0 KKAFHN Cc1ccc2n[nH]cc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@H](O)CN3CC=CCC3)cc2)n1 ZINC000049605554 562666029 /nfs/dbraw/zinc/66/60/29/562666029.db2.gz HLAAZUZARIFGMJ-HHHXNRCGSA-N 0 3 567.738 6.125 1 0 KKAFHN Cc1ccc2[nH]ncc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@H](O)CN3CC=CCC3)cc2)n1 ZINC000049605554 562666030 /nfs/dbraw/zinc/66/60/30/562666030.db2.gz HLAAZUZARIFGMJ-HHHXNRCGSA-N 0 3 567.738 6.125 1 0 KKAFHN COc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1 ZINC000049605661 562666164 /nfs/dbraw/zinc/66/61/64/562666164.db2.gz XBJGUDXTOVZAKH-UHFFFAOYSA-N 0 3 578.109 5.714 1 0 KKAFHN CC(=O)N(C)C1CCN(CC[C@](C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049679506 562668892 /nfs/dbraw/zinc/66/88/92/562668892.db2.gz OZJDKUMSRQSURZ-MHZLTWQESA-N 0 3 538.947 5.896 1 0 KKAFHN CCCC[NH+]1CCN(c2cc([N-]S(=O)(=O)c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)ccc2OC)CC1 ZINC000049625915 562666902 /nfs/dbraw/zinc/66/69/02/562666902.db2.gz HSJLDURWDGTKRQ-UHFFFAOYSA-N 0 3 590.668 5.689 1 0 KKAFHN CCN1CCC(N(CCCCCCCCc2ccc(C(F)(F)F)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626350 562667145 /nfs/dbraw/zinc/66/71/45/562667145.db2.gz MTGQMPGBPSLIMJ-UHFFFAOYSA-N 0 3 709.844 8.980 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049627003 562667460 /nfs/dbraw/zinc/66/74/60/562667460.db2.gz MARNXEAYIWDJRL-UHFFFAOYSA-N 0 3 643.178 7.151 1 0 KKAFHN Cc1ccc(Nc2nc3cc(N(C)c4ccnc(Nc5cccc(CCS(C)(=O)=O)c5)n4)ccc3n2C)cc1 ZINC000049626991 562667487 /nfs/dbraw/zinc/66/74/87/562667487.db2.gz JNJJIINWNYVBNK-UHFFFAOYSA-N 0 3 541.681 5.514 1 0 KKAFHN c1cc(C2=N[C@H]3CCCC[C@H]3N2)cc2[nH]c(CCCCCc3nc4ccc(C5=N[C@H]6CCCC[C@H]6N5)cc4[nH]3)nc12 ZINC000049639229 562667741 /nfs/dbraw/zinc/66/77/41/562667741.db2.gz DDEPKUFAYHQXLI-OQQNJPJOSA-N 0 3 548.739 5.717 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)cc(S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000049650310 562668091 /nfs/dbraw/zinc/66/80/91/562668091.db2.gz MTCIPTUJJRPMSH-PQQNNWGCSA-N 0 3 737.866 5.569 1 0 KKAFHN CC(=O)N(C)C1CCN(CC[C@](C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049694407 562669338 /nfs/dbraw/zinc/66/93/38/562669338.db2.gz JMEKLKBPAWJBOV-MHZLTWQESA-N 0 3 590.489 6.400 1 0 KKAFHN CN(C)CCN(C)c1c(F)c(Oc2cccc(-c3cccc(C[NH3+])c3)c2)nc(Oc2cc(N(C)C)ccc2C(=O)[O-])c1F ZINC000049694588 562669491 /nfs/dbraw/zinc/66/94/91/562669491.db2.gz UYOZPCXLATVAGV-UHFFFAOYSA-N 0 3 591.659 5.832 1 0 KKAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000049710013 562671526 /nfs/dbraw/zinc/67/15/26/562671526.db2.gz AZIFMCHBJODCKH-UHFFFAOYSA-N 0 3 640.879 5.477 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4ccccc4C)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049710195 562671546 /nfs/dbraw/zinc/67/15/46/562671546.db2.gz HOWBEVGJZAWCRC-BCRBLDSWSA-N 0 3 606.811 5.862 1 0 KKAFHN CCc1ccc(NC(=O)N(CCCN2CCN(C)CC2)Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)cc1 ZINC000049710783 562671812 /nfs/dbraw/zinc/67/18/12/562671812.db2.gz DUFNVIGBVAVQHN-UHFFFAOYSA-N 0 3 596.845 6.334 1 0 KKAFHN O=C(NCCCCN1CCN(c2nsc3ccccc32)CC1)c1ccccc1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000049711138 562671970 /nfs/dbraw/zinc/67/19/70/562671970.db2.gz PVNHVSSLUHUEBD-UHFFFAOYSA-N 0 3 710.974 5.570 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722548 562672179 /nfs/dbraw/zinc/67/21/79/562672179.db2.gz HWCUEBFIQFKENW-UHFFFAOYSA-N 0 3 719.820 9.159 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049722909 562672681 /nfs/dbraw/zinc/67/26/81/562672681.db2.gz UTLKYCGMSXQOTG-VQHVLOKHSA-N 0 3 553.481 6.201 1 0 KKAFHN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](NCCc4c[nH]cn4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049745346 562673810 /nfs/dbraw/zinc/67/38/10/562673810.db2.gz YPCZREBHZQAZRQ-PDCROECWSA-N 0 3 511.795 6.038 1 0 KKAFHN O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000049745510 562673914 /nfs/dbraw/zinc/67/39/14/562673914.db2.gz WSQIJEKGOHEDSO-IOWSJCHKSA-N 0 3 629.670 6.260 1 0 KKAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)N2CCCC2)ccc1OCCN1CCCC1 ZINC000049745815 562674113 /nfs/dbraw/zinc/67/41/13/562674113.db2.gz LVRQQZJVENQWKK-UHFFFAOYSA-N 0 3 569.127 6.432 1 0 KKAFHN O=C(C[C@@H](NCCCCCCCCN[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000049745940 562674156 /nfs/dbraw/zinc/67/41/56/562674156.db2.gz QCQRCIZXYXWVOZ-LQFQNGICSA-N 0 3 715.722 8.374 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(CC[C@@H](NC(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049746037 562674214 /nfs/dbraw/zinc/67/42/14/562674214.db2.gz IWJLSJBNSKIEOP-AREMUKBSSA-N 0 3 587.573 6.060 1 0 KKAFHN O=C(C=Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000049746542 562674448 /nfs/dbraw/zinc/67/44/48/562674448.db2.gz UJOCRSFMMRFCHD-ZRDIBKRKSA-N 0 3 590.393 7.325 1 0 KKAFHN CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)o1)c1ccccc1 ZINC000049746726 562674567 /nfs/dbraw/zinc/67/45/67/562674567.db2.gz LZQKSLYUSQCUCN-GDLZYMKVSA-N 0 3 580.088 7.339 1 0 KKAFHN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756120 562674864 /nfs/dbraw/zinc/67/48/64/562674864.db2.gz OHKVKGLOZBILIN-SLFFLAALSA-N 0 3 589.461 6.437 1 0 KKAFHN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756122 562674884 /nfs/dbraw/zinc/67/48/84/562674884.db2.gz OHKVKGLOZBILIN-XUVXKRRUSA-N 0 3 589.461 6.437 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1OC(F)(F)F ZINC000049756313 562674957 /nfs/dbraw/zinc/67/49/57/562674957.db2.gz ZQXWSHOYNMQRDD-UHFFFAOYSA-N 0 3 624.689 6.574 1 0 KKAFHN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CN[C@@H](COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756858 562675253 /nfs/dbraw/zinc/67/52/53/562675253.db2.gz KEWIBIGKBFEKRG-DHWXLLNHSA-N 0 3 603.804 5.394 1 0 KKAFHN COc1ccc2c(c1)OC[C@H](Cc1ccc(OCCN3CCCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049756907 562675287 /nfs/dbraw/zinc/67/52/87/562675287.db2.gz RPDRXDWOEZAHEN-MHZLTWQESA-N 0 3 550.721 5.063 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1F ZINC000049757152 562675636 /nfs/dbraw/zinc/67/56/36/562675636.db2.gz ZEXJBANGHOAHDZ-UHFFFAOYSA-N 0 3 558.683 5.814 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000049762273 562676483 /nfs/dbraw/zinc/67/64/83/562676483.db2.gz OZWMSXPIQVMFDE-UHFFFAOYSA-N 0 3 540.693 5.675 1 0 KKAFHN COc1cc2cccc3c2c(c1)C(=O)N(CC1CCN(C[C@@H](O)COc2cccc4[nH]c5ccccc5c42)CC1)C3=O ZINC000049775650 562679145 /nfs/dbraw/zinc/67/91/45/562679145.db2.gz SBAJMOUEQDPSIH-HSZRJFAPSA-N 0 3 563.654 5.231 1 0 KKAFHN CCC(=O)NC(C)(C)[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(C(C)C)c2)C1 ZINC000049777233 562679831 /nfs/dbraw/zinc/67/98/31/562679831.db2.gz PCVULHPMCAPMCJ-RYTSNQFKSA-N 0 3 535.773 5.099 1 0 KKAFHN O=C(N[C@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1nccs1 ZINC000049777892 562680627 /nfs/dbraw/zinc/68/06/27/562680627.db2.gz NFWXZIIEKXXDMY-IOWSJCHKSA-N 0 3 655.846 6.477 1 0 KKAFHN O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778311 562681196 /nfs/dbraw/zinc/68/11/96/562681196.db2.gz IMQBTGWOTKESLU-YZNIXAGQSA-N 0 3 709.517 8.558 1 0 KKAFHN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CC(c4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049781274 562682875 /nfs/dbraw/zinc/68/28/75/562682875.db2.gz KNGAQMBDICLRPO-GIWKVKTRSA-N 0 3 545.727 7.992 1 0 KKAFHN CCn1cc(-c2ccnc3[nH]c(C(=O)NCCCN4CCN(C)CC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784689 562683728 /nfs/dbraw/zinc/68/37/28/562683728.db2.gz OPSVHJZYWJYWSU-UHFFFAOYSA-N 0 3 605.747 5.125 1 0 KKAFHN CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049793236 562684639 /nfs/dbraw/zinc/68/46/39/562684639.db2.gz ICNXLCSJEDSWTK-UIOOFZCWSA-N 0 3 593.775 5.297 1 0 KKAFHN O=C(N[C@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793696 562685097 /nfs/dbraw/zinc/68/50/97/562685097.db2.gz NFWXZIIEKXXDMY-FIRIVFDPSA-N 0 3 655.846 6.477 1 0 KKAFHN CN1CCc2ccccc2Cc2ccc(OCCCOc3ccc4c(c3)CCN(C)CCc3ccccc3C4)cc2CC1 ZINC000049803067 562686031 /nfs/dbraw/zinc/68/60/31/562686031.db2.gz OGFANFTYHBKIPN-UHFFFAOYSA-N 0 3 574.809 6.777 1 0 KKAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049823289 562687175 /nfs/dbraw/zinc/68/71/75/562687175.db2.gz LEISAHGPHFOWKZ-LJAQVGFWSA-N 0 3 665.279 5.029 1 0 KKAFHN COC(=O)CCCN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049844713 562688566 /nfs/dbraw/zinc/68/85/66/562688566.db2.gz FDMBTLJSOVSBHD-SANMLTNESA-N 0 3 631.598 5.315 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000049889575 562692227 /nfs/dbraw/zinc/69/22/27/562692227.db2.gz MPGXVOKLEKYKQS-RTKAOUNRSA-N 0 3 576.732 6.478 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000049889575 562692228 /nfs/dbraw/zinc/69/22/28/562692228.db2.gz MPGXVOKLEKYKQS-RTKAOUNRSA-N 0 3 576.732 6.478 1 0 KKAFHN COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CCN4C)c(OC)cc3CCN2C)cc1O ZINC000049898607 562692707 /nfs/dbraw/zinc/69/27/07/562692707.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 0 3 670.803 6.477 1 0 KKAFHN COc1cc(NC(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CCN(C(C)C)CC1 ZINC000049917891 562694069 /nfs/dbraw/zinc/69/40/69/562694069.db2.gz XYBJTRRZOLJVGE-UHFFFAOYSA-N 0 3 548.559 5.073 1 0 KKAFHN O=C(Cc1ccccc1)N[C@H](CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049908043 562693405 /nfs/dbraw/zinc/69/34/05/562693405.db2.gz JVRCCBYTGCVJSV-HHHXNRCGSA-N 0 3 558.937 6.331 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2cccnc21 ZINC000049908031 562693428 /nfs/dbraw/zinc/69/34/28/562693428.db2.gz DTVOVULKDHBUFA-UHFFFAOYSA-N 0 3 677.718 6.911 1 0 KKAFHN O=C(NCCCCN1CC=C(c2ccc3c(c2OCc2ccccc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917539 562693559 /nfs/dbraw/zinc/69/35/59/562693559.db2.gz JWFCASCGOAKGMM-UHFFFAOYSA-N 0 3 638.774 9.130 1 0 KKAFHN O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917590 562693605 /nfs/dbraw/zinc/69/36/05/562693605.db2.gz GGIHBVOKRSMNKK-CCDWMCETSA-N 0 3 543.539 5.768 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049917593 562693610 /nfs/dbraw/zinc/69/36/10/562693610.db2.gz ICIDSHHZAPVAKX-JUKUECOXSA-N 0 3 637.756 5.306 1 0 KKAFHN COc1cc(C=CC(=O)NC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)cc(OC)c1 ZINC000049917605 562693641 /nfs/dbraw/zinc/69/36/41/562693641.db2.gz KLFABNHTMURDPS-PRSVDJLGSA-N 0 3 684.429 5.860 1 0 KKAFHN COc1ccc2c(c1)C[C@H]1CN(CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CCN1C2 ZINC000049917675 562693730 /nfs/dbraw/zinc/69/37/30/562693730.db2.gz HMNBYPOENJHEBF-NDEPHWFRSA-N 0 3 581.544 5.507 1 0 KKAFHN COc1c(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc2c1CCCC2 ZINC000049917766 562693887 /nfs/dbraw/zinc/69/38/87/562693887.db2.gz HFVNLHZHHKZGCM-UHFFFAOYSA-N 0 3 619.772 7.334 1 0 KKAFHN C[C@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)N1 ZINC000049917861 562694046 /nfs/dbraw/zinc/69/40/46/562694046.db2.gz GRBGQMNUHSAYID-SFTDATJTSA-N 0 3 577.655 5.716 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049917983 562694274 /nfs/dbraw/zinc/69/42/74/562694274.db2.gz DQLRKXOTBPSGAI-SOFGYWHQSA-N 0 3 572.364 6.840 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000049918059 562694388 /nfs/dbraw/zinc/69/43/88/562694388.db2.gz JWZMHVOMNIQUEE-UHFFFAOYSA-N 0 3 535.591 6.609 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)cc1 ZINC000049918059 562694389 /nfs/dbraw/zinc/69/43/89/562694389.db2.gz JWZMHVOMNIQUEE-UHFFFAOYSA-N 0 3 535.591 6.609 1 0 KKAFHN CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OC[C@@H]3CCCN3C)cc21 ZINC000049918080 562694452 /nfs/dbraw/zinc/69/44/52/562694452.db2.gz YPAALVSCLPQHDI-YTTGMZPUSA-N 0 3 703.752 7.882 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2c1CCCC2 ZINC000049918173 562694559 /nfs/dbraw/zinc/69/45/59/562694559.db2.gz VMKOOCCTXCYNDB-UHFFFAOYSA-N 0 3 679.774 7.847 1 0 KKAFHN COc1ccc(NC(=O)N[C@H]2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049918179 562694570 /nfs/dbraw/zinc/69/45/70/562694570.db2.gz MLJAUVIDNIEKEN-OEMHODTASA-N 0 3 549.499 5.206 1 0 KKAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)N4CCN(CCCCCC[NH3+])CC4)c3Cl)c2n1 ZINC000049938145 562695123 /nfs/dbraw/zinc/69/51/23/562695123.db2.gz VUMJJMZJSPFDOG-UHFFFAOYSA-N 0 3 650.673 5.149 1 0 KKAFHN COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(COc3cccc4ccc(C)nc43)c2Cl)cc1 ZINC000049938275 562695143 /nfs/dbraw/zinc/69/51/43/562695143.db2.gz RDGRXILQZGPEOG-UHFFFAOYSA-N 0 3 659.636 5.791 1 0 KKAFHN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(-c3cccnc3)cc1)CC2 ZINC000053226632 562696592 /nfs/dbraw/zinc/69/65/92/562696592.db2.gz WIXDRALQUASGOY-NDEPHWFRSA-N 0 3 502.703 5.181 1 0 KKAFHN CCn1cc(Cc2ccccc2)c(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000053275910 562697034 /nfs/dbraw/zinc/69/70/34/562697034.db2.gz WXGYWZXOTMEBIY-VUHKNJSWSA-N 0 3 568.806 6.422 1 0 KKAFHN CCn1cc(Cc2ccccc2)c(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000053275910 562697035 /nfs/dbraw/zinc/69/70/35/562697035.db2.gz WXGYWZXOTMEBIY-VUHKNJSWSA-N 0 3 568.806 6.422 1 0 KKAFHN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc4cc(OC)ccc4c3)ccc21 ZINC000058547850 562699079 /nfs/dbraw/zinc/69/90/79/562699079.db2.gz RKQAKYKJKLZYRC-UHFFFAOYSA-N 0 3 548.727 7.719 1 0 KKAFHN CCC[C@@H](CCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)NC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1 ZINC000058547687 562699083 /nfs/dbraw/zinc/69/90/83/562699083.db2.gz ZBXYWWVAWIXFGJ-QVXXBSHFSA-N 0 3 680.912 5.678 1 0 KKAFHN COCCc1ccc(Cl)c(CN(CC2CCC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 ZINC000058591971 562700548 /nfs/dbraw/zinc/70/05/48/562700548.db2.gz PYOBYXLCDUIIDY-HHHXNRCGSA-N 0 3 648.071 7.548 1 0 KKAFHN COCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058591977 562700564 /nfs/dbraw/zinc/70/05/64/562700564.db2.gz FSAUQRMCXJUNFA-RUZDIDTESA-N 0 3 604.018 7.074 1 0 KKAFHN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NC5CCN(C)CC5)n4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058598800 562700747 /nfs/dbraw/zinc/70/07/47/562700747.db2.gz TYQDNFSUWCTPOC-GOSISDBHSA-N 0 3 588.137 5.942 1 0 KKAFHN O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000061903572 562702987 /nfs/dbraw/zinc/70/29/87/562702987.db2.gz WRGNBMQDYUXXJC-PMERELPUSA-N 0 3 510.613 5.279 3 0 KKAFHN Cn1cc(CN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC000061906728 562703067 /nfs/dbraw/zinc/70/30/67/562703067.db2.gz KZDWDINWVSMMAP-HKBQPEDESA-N 0 3 506.625 5.983 3 0 KKAFHN O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923838 562703569 /nfs/dbraw/zinc/70/35/69/562703569.db2.gz OLUKHOPUUWMDEI-PVHODMMVSA-N 0 3 509.050 5.218 3 0 KKAFHN O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061925942 562703610 /nfs/dbraw/zinc/70/36/10/562703610.db2.gz XJWCDQUOSZJQRM-GDLZYMKVSA-N 0 3 500.042 5.885 3 0 KKAFHN CN(C)Cc1cccc([C@@]23C[C@@H]2C[C@@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000064426371 562705140 /nfs/dbraw/zinc/70/51/40/562705140.db2.gz VPGHDTVGVDIOJE-CXVLVDDRSA-N 0 3 591.193 5.557 1 0 KKAFHN CCNC(=O)[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1 ZINC000064512959 562706331 /nfs/dbraw/zinc/70/63/31/562706331.db2.gz XEGOLLHFEQVDHJ-SAHWJRBASA-N 0 3 502.499 5.833 1 0 KKAFHN CC(C)(N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064539454 562707564 /nfs/dbraw/zinc/70/75/64/562707564.db2.gz SMYDOLKSTUVUCN-UIOOFZCWSA-N 0 3 564.517 5.665 1 0 KKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064548802 562707936 /nfs/dbraw/zinc/70/79/36/562707936.db2.gz PHUWAMRFIHBBMJ-OALGXETFSA-N 0 3 578.544 6.226 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5)CC4)nn2)c1-3 ZINC000066074418 562709860 /nfs/dbraw/zinc/70/98/60/562709860.db2.gz BEKQWPIRNPOIER-YTTGMZPUSA-N 0 3 562.762 5.602 1 0 KKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3 ZINC000066077226 562710267 /nfs/dbraw/zinc/71/02/67/562710267.db2.gz SNXPYOZDXRKEER-PMERELPUSA-N 0 3 525.737 6.209 1 0 KKAFHN CC(C)NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066100600 562711245 /nfs/dbraw/zinc/71/12/45/562711245.db2.gz CFHYBQICSRKUFF-QFIPXVFZSA-N 0 3 566.624 6.483 1 0 KKAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C4CC4)cc3)cc2)cc1 ZINC000066101600 562711397 /nfs/dbraw/zinc/71/13/97/562711397.db2.gz XWIGQKXPVMJLRO-UBVJSSEKSA-N 0 3 613.806 7.220 1 0 KKAFHN CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066129600 562713020 /nfs/dbraw/zinc/71/30/20/562713020.db2.gz SLYDUSXXBLEENW-UHFFFAOYSA-N 0 3 535.754 5.493 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000066136357 562713097 /nfs/dbraw/zinc/71/30/97/562713097.db2.gz INQGAJOZVOGFTI-UMQWNRPGSA-N 0 3 575.672 5.576 3 0 KKAFHN CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)Cc1ccccc1 ZINC000066136497 562713179 /nfs/dbraw/zinc/71/31/79/562713179.db2.gz AUDOQLDDBJTXAU-UHFFFAOYSA-N 0 3 547.765 5.853 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000066148073 562713572 /nfs/dbraw/zinc/71/35/72/562713572.db2.gz SCAUOYDVVUBTHZ-RNDKRWLGSA-N 0 3 626.729 6.614 3 0 KKAFHN CCCN1[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000071296832 562717589 /nfs/dbraw/zinc/71/75/89/562717589.db2.gz CRNOHPGCPLJAOD-WJBZFFPXSA-N 0 3 503.771 7.454 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(=O)c2ccc(Br)cc2)CC1 ZINC000071315975 562717783 /nfs/dbraw/zinc/71/77/83/562717783.db2.gz QWZMXDMMLKZNEH-AWEZNQCLSA-N 0 3 513.263 5.254 1 0 KKAFHN CN(CC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330166 562719068 /nfs/dbraw/zinc/71/90/68/562719068.db2.gz QJIHBQHUALITFU-XMMPIXPASA-N 0 3 510.509 5.570 1 0 KKAFHN O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103478 562720343 /nfs/dbraw/zinc/72/03/43/562720343.db2.gz OLUKHOPUUWMDEI-VJGNERBWSA-N 0 3 509.050 5.218 1 0 KKAFHN CCN(CCN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)OC1=O)Cc1ccccc1 ZINC000072112146 562722017 /nfs/dbraw/zinc/72/20/17/562722017.db2.gz FZIGSBNUCVLZFQ-VMIUUUFISA-N 0 3 506.731 6.311 1 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCCOc2cccc(-c3cc4ccccc4o3)c2)CCCC1 ZINC000072113621 562722420 /nfs/dbraw/zinc/72/24/20/562722420.db2.gz WJLFEPIYIQDTHA-UHFFFAOYSA-N 0 3 539.119 9.622 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128003 562726008 /nfs/dbraw/zinc/72/60/08/562726008.db2.gz ULDPFQYFHJFBOQ-ZQWQDMLBSA-N 0 3 726.069 6.759 3 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 562726109 /nfs/dbraw/zinc/72/61/09/562726109.db2.gz KBOPCOOXEUGKAG-BWMKXQIXSA-N 0 3 678.274 6.941 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 562726110 /nfs/dbraw/zinc/72/61/10/562726110.db2.gz KBOPCOOXEUGKAG-BWMKXQIXSA-N 0 3 678.274 6.941 1 0 KKAFHN COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072135892 562727639 /nfs/dbraw/zinc/72/76/39/562727639.db2.gz JQPAJQARRJIYSV-XDWGWCSASA-N 0 3 622.766 6.358 3 0 KKAFHN COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H](N)Cc4ccc(C(F)(F)F)cc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000072147684 562729842 /nfs/dbraw/zinc/72/98/42/562729842.db2.gz JXRXYMAHDVCJLM-JOCHJYFZSA-N 0 3 652.655 5.175 1 0 KKAFHN COc1cccc(CNC[C@H](Cc2ccccc2)n2cc(-c3cc(C(=O)N[C@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)nn2)c1 ZINC000072176269 562731546 /nfs/dbraw/zinc/73/15/46/562731546.db2.gz SYQOYHREUKLDAM-NYFMKLKXSA-N 0 3 652.821 5.414 1 0 KKAFHN Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000072181232 562732665 /nfs/dbraw/zinc/73/26/65/562732665.db2.gz LEOYSIFOGSUSDO-ZSLRJWJGSA-N 0 3 641.621 5.754 1 0 KKAFHN C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072183322 562732875 /nfs/dbraw/zinc/73/28/75/562732875.db2.gz GFGWSTWJMPPEJB-PGRDOPGGSA-N 0 3 557.497 6.617 1 0 KKAFHN C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072183323 562732900 /nfs/dbraw/zinc/73/29/00/562732900.db2.gz GFGWSTWJMPPEJB-XMSQKQJNSA-N 0 3 557.497 6.617 1 0 KKAFHN O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCN(Cc5ccncc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073159002 562733995 /nfs/dbraw/zinc/73/39/95/562733995.db2.gz GHYIOUMBYNIERQ-UHFFFAOYSA-N 0 3 589.096 5.607 1 0 KKAFHN CN1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000073163664 562734216 /nfs/dbraw/zinc/73/42/16/562734216.db2.gz GXKYDEUTDIYZST-UHFFFAOYSA-N 0 3 516.831 7.111 1 0 KKAFHN COc1ccc(-c2nn(CCCN3CCC(c4cccc(NC(C)=O)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000073220917 562736293 /nfs/dbraw/zinc/73/62/93/562736293.db2.gz MRGUCGVPMUDWRA-UHFFFAOYSA-N 0 3 510.638 5.300 1 0 KKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1 ZINC000073275867 562737311 /nfs/dbraw/zinc/73/73/11/562737311.db2.gz UZOKWTAIZMGZBS-HSZRJFAPSA-N 0 3 509.355 6.898 1 0 KKAFHN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000082150780 562739838 /nfs/dbraw/zinc/73/98/38/562739838.db2.gz QGSQJIGPZSEBPB-QFIPXVFZSA-N 0 3 582.576 5.770 1 0 KKAFHN FC(F)(F)CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1 ZINC000082157130 562740845 /nfs/dbraw/zinc/74/08/45/562740845.db2.gz TXTVDCLCTLZNTD-OWOJBTEDSA-N 0 3 553.629 6.065 1 0 KKAFHN Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCCCC3)[nH]nc21 ZINC000084586597 562743438 /nfs/dbraw/zinc/74/34/38/562743438.db2.gz PFEPJDUULLLNTL-JGCGQSQUSA-N 0 3 607.759 6.185 1 0 KKAFHN CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596508 562743667 /nfs/dbraw/zinc/74/36/67/562743667.db2.gz ORHGDEJXZIFSHF-UHFFFAOYSA-N 0 3 581.201 5.186 1 0 KKAFHN Cc1cc(F)ccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 ZINC000084597189 562743926 /nfs/dbraw/zinc/74/39/26/562743926.db2.gz VFIJKLBXXCLTKD-WJOKGBTCSA-N 0 3 572.681 5.126 1 0 KKAFHN Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652427 562746520 /nfs/dbraw/zinc/74/65/20/562746520.db2.gz SIKRLXCMRFQZMV-GTEABODUSA-N 0 3 627.188 8.863 1 0 KKAFHN C[C@H](Oc1cc(-c2cc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654619 562747294 /nfs/dbraw/zinc/74/72/94/562747294.db2.gz KPYFHKXGOZSVEX-SFHVURJKSA-N 0 3 534.582 6.317 1 0 KKAFHN CN1CCN(CCc2ccc(-c3ncc(-c4ccc(-c5cnc(-c6ccc(CCN7CCN(C)CC7)cc6)o5)cc4)o3)cc2)CC1 ZINC000084687249 562748848 /nfs/dbraw/zinc/74/88/48/562748848.db2.gz DYGPHMHUCWNVMG-UHFFFAOYSA-N 0 3 616.810 5.910 1 0 KKAFHN O[C@](CN(CCCOc1ccc(Br)cc1)Cc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706909 562750051 /nfs/dbraw/zinc/75/00/51/562750051.db2.gz YVAARLQPHDLJTB-HHHXNRCGSA-N 0 3 557.439 5.178 1 0 KKAFHN COc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084710038 562750411 /nfs/dbraw/zinc/75/04/11/562750411.db2.gz LUVGQMIABQYOSC-XIFFEERXSA-N 0 3 558.642 5.719 1 0 KKAFHN CN(C)CCN1C(=O)c2cccc3c(NCCCCCCNC(=O)c4ccc(N5CCN(CC=C(c6ccccc6)c6ccccc6)CC5)cc4)ccc(c32)C1=O ZINC000095536800 562754169 /nfs/dbraw/zinc/75/41/69/562754169.db2.gz KCBMXFUYGWSTAA-UHFFFAOYSA-N 0 3 762.999 7.654 1 0 KKAFHN COc1ccc([C@@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000095541730 562756286 /nfs/dbraw/zinc/75/62/86/562756286.db2.gz IPQSEKMUUNQIQD-SJARJILFSA-N 0 3 764.895 7.036 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000095545705 562758192 /nfs/dbraw/zinc/75/81/92/562758192.db2.gz BEYBSSSCFNIKNG-HUESYALOSA-N 0 3 772.840 8.037 1 0 KKAFHN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](CCSC)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(SC)cc1)Oc1ccc(SC)cc1 ZINC000095547812 562758892 /nfs/dbraw/zinc/75/88/92/562758892.db2.gz FUJPPJWHQDRORA-HSRBSRBISA-N 0 3 795.020 8.593 1 0 KKAFHN CCCCN(C(=O)CNC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(SC)cc1)Oc1ccc(SC)cc1 ZINC000095547820 562758906 /nfs/dbraw/zinc/75/89/06/562758906.db2.gz CMTZIKPXMRFKRC-DFUITMLUSA-N 0 3 791.973 9.046 1 0 KKAFHN COCCOCCOCCOc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095548702 562759398 /nfs/dbraw/zinc/75/93/98/562759398.db2.gz WWDLQJMCKHQUJJ-UHFFFAOYSA-N 0 3 776.887 6.194 1 0 KKAFHN CC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1 ZINC000095560547 562763053 /nfs/dbraw/zinc/76/30/53/562763053.db2.gz FGOGRVVUAJAJDC-UHFFFAOYSA-N 0 3 520.634 5.515 1 0 KKAFHN c1ccc(CN2CCN(CCCc3ccc([C@@H](c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000095560641 562763116 /nfs/dbraw/zinc/76/31/16/562763116.db2.gz YLUBGTJTYPZYJD-QFYCVLDPSA-N 0 3 518.789 7.785 1 0 KKAFHN CCCCc1sc(-c2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560911 562763203 /nfs/dbraw/zinc/76/32/03/562763203.db2.gz QCFZMUUIFZELKZ-UHFFFAOYSA-N 0 3 533.137 8.740 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095566297 562764838 /nfs/dbraw/zinc/76/48/38/562764838.db2.gz QMWRRMYICQUONI-DOBRQBTGSA-N 0 3 627.807 5.435 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095566297 562764839 /nfs/dbraw/zinc/76/48/39/562764839.db2.gz QMWRRMYICQUONI-DOBRQBTGSA-N 0 3 627.807 5.435 1 0 KKAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566424 562764952 /nfs/dbraw/zinc/76/49/52/562764952.db2.gz JQXCVRFSCSGTFT-IABYTQIASA-N 0 3 634.626 5.384 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095566427 562764967 /nfs/dbraw/zinc/76/49/67/562764967.db2.gz URAPLHCKRADHID-UNVFRBQDSA-N 0 3 626.701 5.920 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095566579 562765115 /nfs/dbraw/zinc/76/51/15/562765115.db2.gz RAWKXIVYXKZPFJ-FONBTEPMSA-N 0 3 616.656 5.770 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567477 562765864 /nfs/dbraw/zinc/76/58/64/562765864.db2.gz YPKBHAMQCQAOQB-LSJJIYBBSA-N 0 3 732.804 6.465 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567689 562765959 /nfs/dbraw/zinc/76/59/59/562765959.db2.gz OYNIYJJSCYRIFI-PDOBOUQHSA-N 0 3 666.775 6.133 1 0 KKAFHN CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095567719 562766010 /nfs/dbraw/zinc/76/60/10/562766010.db2.gz DHPIXDXHWYRYQT-MKGJDZFWSA-N 0 3 573.738 5.286 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567739 562766018 /nfs/dbraw/zinc/76/60/18/562766018.db2.gz RAWKXIVYXKZPFJ-RLCGNTSFSA-N 0 3 616.656 5.770 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567784 562766071 /nfs/dbraw/zinc/76/60/71/562766071.db2.gz NKYSZIASVRRVQA-XOYPNWLESA-N 0 3 705.900 6.816 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568324 562766480 /nfs/dbraw/zinc/76/64/80/562766480.db2.gz CMAOMNSLQLVSHG-MODXFSQWSA-N 0 3 636.715 5.730 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095568660 562766823 /nfs/dbraw/zinc/76/68/23/562766823.db2.gz LRCXRAHVEGXQLE-DOBRQBTGSA-N 0 3 643.806 5.561 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095568660 562766824 /nfs/dbraw/zinc/76/68/24/562766824.db2.gz LRCXRAHVEGXQLE-DOBRQBTGSA-N 0 3 643.806 5.561 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568805 562766885 /nfs/dbraw/zinc/76/68/85/562766885.db2.gz DEMCBGNJFOTASI-SGHJWQDXSA-N 0 3 638.589 5.214 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568936 562767003 /nfs/dbraw/zinc/76/70/03/562767003.db2.gz MXAUBRBUARVCOA-IEOSBIPESA-N 0 3 598.666 5.630 1 0 KKAFHN CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095568883 562767024 /nfs/dbraw/zinc/76/70/24/562767024.db2.gz HBIOTSSIAUJKOB-NCLPYWGKSA-N 0 3 588.749 5.290 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569590 562767546 /nfs/dbraw/zinc/76/75/46/562767546.db2.gz CMNGXMPORQTCON-NSTRGFCRSA-N 0 3 629.802 5.149 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569638 562767557 /nfs/dbraw/zinc/76/75/57/562767557.db2.gz RBOAJFBNHJWMOW-CBUCOWSNSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095569808 562767703 /nfs/dbraw/zinc/76/77/03/562767703.db2.gz UBMFRUBMXOVEAJ-HFAAXNRMSA-N 0 3 605.779 5.816 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095569965 562767810 /nfs/dbraw/zinc/76/78/10/562767810.db2.gz UEDLRIRBQUSIHX-NOUQMAPCSA-N 0 3 642.675 5.359 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570097 562767923 /nfs/dbraw/zinc/76/79/23/562767923.db2.gz WNMJLARWBKXIKH-PDTNBVABSA-N 0 3 660.840 7.082 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095570285 562768062 /nfs/dbraw/zinc/76/80/62/562768062.db2.gz AHIVZLPYNOMDAU-RLYJWURVSA-N 0 3 608.739 6.475 1 0 KKAFHN Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570631 562768297 /nfs/dbraw/zinc/76/82/97/562768297.db2.gz GJHPJKJHWVCAHT-GTKRZRNESA-N 0 3 704.022 6.326 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095570819 562768527 /nfs/dbraw/zinc/76/85/27/562768527.db2.gz JUFFYBBKNFKMBH-OVMXQCPESA-N 0 3 627.704 6.041 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095571230 562768869 /nfs/dbraw/zinc/76/88/69/562768869.db2.gz IGUFQSLVAOYZBL-IKTKBOKFSA-N 0 3 650.742 5.659 1 0 KKAFHN CN(C)[C@H]1CCN([C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095576493 562770670 /nfs/dbraw/zinc/77/06/70/562770670.db2.gz SRNWDHOEWQLILF-DLDYEWSSSA-N 0 3 551.613 5.255 1 0 KKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)CCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095578599 562771293 /nfs/dbraw/zinc/77/12/93/562771293.db2.gz IJYIYBWQZQDHRW-JJVQHPENSA-N 0 3 579.096 6.210 1 0 KKAFHN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000095587710 562774386 /nfs/dbraw/zinc/77/43/86/562774386.db2.gz CTKVSMROPKAEKU-UHFFFAOYSA-N 0 3 625.260 11.027 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccccc2F)c1 ZINC000095587699 562774389 /nfs/dbraw/zinc/77/43/89/562774389.db2.gz XTAVWKFMMRNGPN-XZWHSSHBSA-N 0 3 547.715 5.315 1 0 KKAFHN COC(=O)c1ccc(-c2ccc(CN3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000095589651 562775004 /nfs/dbraw/zinc/77/50/04/562775004.db2.gz AKAMCNVSSDZPIJ-UHFFFAOYSA-N 0 3 527.624 6.499 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095598854 562777614 /nfs/dbraw/zinc/77/76/14/562777614.db2.gz FIGGLCUVZRSRTI-YHPNNPEYSA-N 0 3 735.926 6.870 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599089 562777769 /nfs/dbraw/zinc/77/77/69/562777769.db2.gz RBOAJFBNHJWMOW-CYCDCDHJSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599221 562777899 /nfs/dbraw/zinc/77/78/99/562777899.db2.gz VEYXNSARLJIJRR-CBUCOWSNSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599719 562778290 /nfs/dbraw/zinc/77/82/90/562778290.db2.gz UQRVVYXDOOLUAO-FXRKCPOXSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599719 562778291 /nfs/dbraw/zinc/77/82/91/562778291.db2.gz UQRVVYXDOOLUAO-FXRKCPOXSA-N 0 3 723.830 6.573 1 0 KKAFHN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@@H](C)CO)C2=O ZINC000095599785 562778355 /nfs/dbraw/zinc/77/83/55/562778355.db2.gz RQWZPZKMXFSKNS-FUMQJTLXSA-N 0 3 603.642 5.306 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600005 562778476 /nfs/dbraw/zinc/77/84/76/562778476.db2.gz UQRVVYXDOOLUAO-IUVSGJEMSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600005 562778477 /nfs/dbraw/zinc/77/84/77/562778477.db2.gz UQRVVYXDOOLUAO-IUVSGJEMSA-N 0 3 723.830 6.573 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600438 562778938 /nfs/dbraw/zinc/77/89/38/562778938.db2.gz LFZLAWVTNRSJHJ-MEOLXUPJSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600507 562778958 /nfs/dbraw/zinc/77/89/58/562778958.db2.gz CBQVGICLIDWTFD-LRZFZUCMSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600507 562778959 /nfs/dbraw/zinc/77/89/59/562778959.db2.gz CBQVGICLIDWTFD-LRZFZUCMSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600507 562778960 /nfs/dbraw/zinc/77/89/60/562778960.db2.gz CBQVGICLIDWTFD-LRZFZUCMSA-N 0 3 620.599 5.075 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600529 562778980 /nfs/dbraw/zinc/77/89/80/562778980.db2.gz UQRVVYXDOOLUAO-OJQFFXEZSA-N 0 3 723.830 6.573 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600529 562778981 /nfs/dbraw/zinc/77/89/81/562778981.db2.gz UQRVVYXDOOLUAO-OJQFFXEZSA-N 0 3 723.830 6.573 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095600643 562779124 /nfs/dbraw/zinc/77/91/24/562779124.db2.gz JRHQODKPGBTKIY-HNMNOHOESA-N 0 3 614.665 5.710 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600914 562779299 /nfs/dbraw/zinc/77/92/99/562779299.db2.gz ZBBNPLMVFVREHD-WKOYJDCPSA-N 0 3 719.867 6.742 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600914 562779300 /nfs/dbraw/zinc/77/93/00/562779300.db2.gz ZBBNPLMVFVREHD-WKOYJDCPSA-N 0 3 719.867 6.742 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095602002 562779819 /nfs/dbraw/zinc/77/98/19/562779819.db2.gz KTOLAWMRFLMANX-UGDHZGHBSA-N 0 3 683.812 6.814 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095602348 562780048 /nfs/dbraw/zinc/78/00/48/562780048.db2.gz MQYRYLVPTZBBHK-IHLWBQKJSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095603336 562780447 /nfs/dbraw/zinc/78/04/47/562780447.db2.gz XJOPVLQFFGEWNL-DUELTEGESA-N 0 3 597.678 5.168 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603794 562780687 /nfs/dbraw/zinc/78/06/87/562780687.db2.gz FDDMFJKLVOMWML-YDLQOJJBSA-N 0 3 703.683 7.704 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCCc3ccccc3[C@H]2N)CC1 ZINC000095607676 562782955 /nfs/dbraw/zinc/78/29/55/562782955.db2.gz ORPYCWJPNJKZIA-XWHIBYANSA-N 0 3 635.293 6.124 1 0 KKAFHN O=C(CCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1)N1CCNCCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000095609751 562783963 /nfs/dbraw/zinc/78/39/63/562783963.db2.gz KRNIKBQEGQHLMZ-UHFFFAOYSA-N 0 3 839.272 7.555 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC ZINC000095610616 562784512 /nfs/dbraw/zinc/78/45/12/562784512.db2.gz USQNYIPSWUNBEC-QLKFWGTOSA-N 0 3 748.852 6.747 1 0 KKAFHN CCOc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(OC)c(OC)c3)C2)cc(OCC)c1OCC ZINC000095611007 562784753 /nfs/dbraw/zinc/78/47/53/562784753.db2.gz GMDILGHWZUFMEQ-MFERNQICSA-N 0 3 806.976 8.206 1 0 KKAFHN O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC000095613109 562786048 /nfs/dbraw/zinc/78/60/48/562786048.db2.gz SWTISRNMYPIMHN-XFKFVYQCSA-N 0 3 785.908 6.681 1 0 KKAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095783166 562789070 /nfs/dbraw/zinc/78/90/70/562789070.db2.gz LFZLAWVTNRSJHJ-PVLYCHHLSA-N 0 3 735.866 6.442 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797971 562789190 /nfs/dbraw/zinc/78/91/90/562789190.db2.gz GEHYZVJWEZJPPP-SYZUXVNWSA-N 0 3 540.626 5.862 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825676 562789329 /nfs/dbraw/zinc/78/93/29/562789329.db2.gz KHFPDWFEACXBKS-XUKQSAIQSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825676 562789330 /nfs/dbraw/zinc/78/93/30/562789330.db2.gz KHFPDWFEACXBKS-XUKQSAIQSA-N 0 3 678.251 6.214 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095846433 562789499 /nfs/dbraw/zinc/78/94/99/562789499.db2.gz GMYAYTAKTSTYEI-LLTQPOKBSA-N 0 3 608.702 5.707 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868104 562789895 /nfs/dbraw/zinc/78/98/95/562789895.db2.gz ZWEDFXZUTGJBMW-HFZPWKHCSA-N 0 3 593.690 6.354 1 0 KKAFHN c1ccc(CCN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174027 562791573 /nfs/dbraw/zinc/79/15/73/562791573.db2.gz ZOGYRRQDJUSCJU-UHFFFAOYSA-N 0 3 513.649 5.414 1 0 KKAFHN O=C(NCc1ccccc1Cl)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174106 562791711 /nfs/dbraw/zinc/79/17/11/562791711.db2.gz GTKGYNGMNYAUOK-UHFFFAOYSA-N 0 3 591.119 6.171 1 0 KKAFHN O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174097 562791715 /nfs/dbraw/zinc/79/17/15/562791715.db2.gz GOHJPBQSZBLARX-UHFFFAOYSA-N 0 3 530.607 6.287 1 0 KKAFHN Cc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174111 562791723 /nfs/dbraw/zinc/79/17/23/562791723.db2.gz PJKCWSWJFKLOHB-UHFFFAOYSA-N 0 3 556.674 6.148 1 0 KKAFHN Cc1cc(Nc2nc3[n-]ncc3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000096177902 562792477 /nfs/dbraw/zinc/79/24/77/562792477.db2.gz FOMYVRDUCXUXCK-UHFFFAOYSA-N 0 3 648.834 5.385 1 0 KKAFHN C[C@H](C(=O)NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269484 562792936 /nfs/dbraw/zinc/79/29/36/562792936.db2.gz QGSCRRBPBVMEHM-SANMLTNESA-N 0 3 642.772 7.789 1 0 KKAFHN C[C@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270066 562793158 /nfs/dbraw/zinc/79/31/58/562793158.db2.gz JFDHFBUOFZFAPW-QFIPXVFZSA-N 0 3 586.664 6.229 1 0 KKAFHN C[C@@H](C(=O)NCCCNc1c2ccccc2nc2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270067 562793161 /nfs/dbraw/zinc/79/31/61/562793161.db2.gz JFDHFBUOFZFAPW-JOCHJYFZSA-N 0 3 586.664 6.229 1 0 KKAFHN CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Br)c2n1-c1ccc(F)cc1 ZINC000096282443 562794661 /nfs/dbraw/zinc/79/46/61/562794661.db2.gz LLZQBQNEWUCTIB-UHFFFAOYSA-N 0 3 569.327 7.104 1 0 KKAFHN CN(C)CCn1c(=O)c2cscc2c(-c2ccc(F)cc2)c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000096282450 562794680 /nfs/dbraw/zinc/79/46/80/562794680.db2.gz RDXAZCCVZGDXAE-UHFFFAOYSA-N 0 3 532.468 6.010 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)ccn2)cc1F ZINC000096285100 562795435 /nfs/dbraw/zinc/79/54/35/562795435.db2.gz YEGSATWQBXVWBX-UHFFFAOYSA-N 0 3 635.740 6.814 1 0 KKAFHN Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285350 562795512 /nfs/dbraw/zinc/79/55/12/562795512.db2.gz GLPOBUHYQIRJAI-GIGWZHCTSA-N 0 3 589.184 5.707 1 0 KKAFHN Cc1cc(C)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285378 562795589 /nfs/dbraw/zinc/79/55/89/562795589.db2.gz FRBJEUDAEXXYFS-AYWVHJORSA-N 0 3 560.787 5.495 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(F)c2)CC1 ZINC000096285458 562795705 /nfs/dbraw/zinc/79/57/05/562795705.db2.gz WFKZOGGTBBNGQC-PIKZIKFNSA-N 0 3 550.723 5.017 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc6ccccc6[nH]5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096900361 562796847 /nfs/dbraw/zinc/79/68/47/562796847.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 0 3 751.880 8.854 1 0 KKAFHN COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)N(C)CC4)cc1 ZINC000096900642 562796949 /nfs/dbraw/zinc/79/69/49/562796949.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 0 3 668.787 6.457 1 0 KKAFHN CN(C[C@@H](CCN1CCC(c2cccnc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096905085 562798472 /nfs/dbraw/zinc/79/84/72/562798472.db2.gz WJTJNOGJRJYRJN-LVKBLGTMSA-N 0 3 608.635 7.405 1 0 KKAFHN O=C(Nc1cccc(CN2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096907627 562799147 /nfs/dbraw/zinc/79/91/47/562799147.db2.gz KEYURLVMZNLPOF-GOSISDBHSA-N 0 3 527.509 5.811 1 0 KKAFHN Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc(N(C)C)cc54)cc3)cc2)nc(N)n1 ZINC000096927668 562802667 /nfs/dbraw/zinc/80/26/67/562802667.db2.gz RYKZNTSPBNUUQR-UHFFFAOYSA-N 0 3 504.598 5.721 1 0 KKAFHN Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1cccc(NC(=O)/C=C/CN(C)C)c1 ZINC000096928323 562802907 /nfs/dbraw/zinc/80/29/07/562802907.db2.gz LGRVXYADPSWNIY-RGNKTVKFSA-N 0 3 572.084 7.127 1 0 KKAFHN COc1cccc(CNCc2c3cc(F)ccc3n(C)c2-c2nnc(SC(C)C)n2-c2ccccc2)c1 ZINC000096933345 562803595 /nfs/dbraw/zinc/80/35/95/562803595.db2.gz SEKNLJJJFOCTGP-UHFFFAOYSA-N 0 3 515.658 6.364 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(C)cc3)n2)cc1F ZINC000096935350 562804075 /nfs/dbraw/zinc/80/40/75/562804075.db2.gz DAKMWSGHMCQEFB-UHFFFAOYSA-N 0 3 636.728 6.209 1 0 KKAFHN CN(CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccccc1 ZINC000096939392 562804778 /nfs/dbraw/zinc/80/47/78/562804778.db2.gz QFIJRPPWZAIMLZ-AREMUKBSSA-N 0 3 565.061 5.434 1 0 KKAFHN N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCN2CCCCC2)n1-c1ccccc1 ZINC000096940357 562804964 /nfs/dbraw/zinc/80/49/64/562804964.db2.gz WJQDRJWYSCYVJO-UHFFFAOYSA-N 0 3 582.824 7.123 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCCc2ccccc2)[C@@H](CCCCC)C1C(=O)OCCCc1ccccc1 ZINC000100033955 562806228 /nfs/dbraw/zinc/80/62/28/562806228.db2.gz SRXLAVOHOUQJFM-UFEOWHGLSA-N 0 3 503.683 7.526 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCCc2cccnc2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033908 562806270 /nfs/dbraw/zinc/80/62/70/562806270.db2.gz HUPJSWZOSVBISZ-GKVUBABBSA-N 0 3 505.659 6.316 1 0 KKAFHN COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC ZINC000101085205 562809040 /nfs/dbraw/zinc/80/90/40/562809040.db2.gz FEQSGCAJKJDTEE-ZRZAMGCNSA-N 0 3 534.694 5.099 1 0 KKAFHN CN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc([N-]c5nc6cccc(Cl)c6o5)c(F)c4)c4c3ncnc4N)CC2)CC1 ZINC000101367499 562810406 /nfs/dbraw/zinc/81/04/06/562810406.db2.gz SKBWQUPLWQUWPH-KDURUIRLSA-N 0 3 576.080 5.484 1 0 KKAFHN CN1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367501 562810449 /nfs/dbraw/zinc/81/04/49/562810449.db2.gz DLQXAWIVHRHOQT-OYRHEFFESA-N 0 3 558.090 5.345 1 0 KKAFHN C[C@H](c1c[nH]c(N)n1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101460090 562810814 /nfs/dbraw/zinc/81/08/14/562810814.db2.gz LYYMDXNIMMMZLB-NSHDSACASA-N 0 3 530.386 5.404 1 0 KKAFHN CC(C)N1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696190 562811761 /nfs/dbraw/zinc/81/17/61/562811761.db2.gz YWRRGDPMGAFLLQ-UHFFFAOYSA-N 0 3 610.780 6.019 1 0 KKAFHN CN(C)CCN1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696367 562811883 /nfs/dbraw/zinc/81/18/83/562811883.db2.gz QTEAHOAHKMIVFU-UHFFFAOYSA-N 0 3 639.822 5.172 1 0 KKAFHN CCCN(C(=O)CCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103197641 562815948 /nfs/dbraw/zinc/81/59/48/562815948.db2.gz YGMVKHHAYZQLBJ-WJOKGBTCSA-N 0 3 575.819 5.817 1 0 KKAFHN CCCCC[C@H](C)N(Cc1ccc(CCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000103214755 562816980 /nfs/dbraw/zinc/81/69/80/562816980.db2.gz NCMBHBXJRAKPLQ-SANMLTNESA-N 0 3 577.810 7.580 1 0 KKAFHN CCCCCCOc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@H](C)CCCCC)cc1 ZINC000103216107 562817085 /nfs/dbraw/zinc/81/70/85/562817085.db2.gz YJXKLAZIJNVASR-MUUNZHRXSA-N 0 3 606.848 8.775 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3cc(OCCN4CCCCC4)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228655 562818040 /nfs/dbraw/zinc/81/80/40/562818040.db2.gz AERRHFHIMOWDKU-UHFFFAOYSA-N 0 3 561.679 6.399 1 0 KKAFHN CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229639 562818056 /nfs/dbraw/zinc/81/80/56/562818056.db2.gz IERPSACAQPXIGP-UHFFFAOYSA-N 0 3 547.974 5.178 1 0 KKAFHN COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230167 562818109 /nfs/dbraw/zinc/81/81/09/562818109.db2.gz SXNBYFCNJKLKND-FKCOHSBYSA-N 0 3 532.496 7.401 1 0 KKAFHN CCN(CCc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234259 562818627 /nfs/dbraw/zinc/81/86/27/562818627.db2.gz FDXBJSOHXGUIGJ-UHFFFAOYSA-N 0 3 581.201 5.125 1 0 KKAFHN F[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(CC2CCCCC2)CC1 ZINC000103237128 562818940 /nfs/dbraw/zinc/81/89/40/562818940.db2.gz FBWBPFFZPJJSGX-JOCHJYFZSA-N 0 3 565.369 6.856 1 0 KKAFHN CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(OC2CCCC2)cc1 ZINC000103239351 562819331 /nfs/dbraw/zinc/81/93/31/562819331.db2.gz IMVYQCSGVSLZOP-UHFFFAOYSA-N 0 3 548.749 6.395 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cnc32)[C@H]1c1cccc(Cl)c1F ZINC000103254032 562820600 /nfs/dbraw/zinc/82/06/00/562820600.db2.gz ACHCLOSSNAELCR-CMWYWCLMSA-N 0 3 614.505 5.024 1 0 KKAFHN COc1cc(C(N)=O)ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103253991 562820604 /nfs/dbraw/zinc/82/06/04/562820604.db2.gz UOVSZRTTWLJPHE-RPMQLHGRSA-N 0 3 619.546 5.691 1 0 KKAFHN O=C(Nc1noc2ccccc21)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263326 562821733 /nfs/dbraw/zinc/82/17/33/562821733.db2.gz BZKUDBFTXWDLNZ-UHFFFAOYSA-N 0 3 503.002 6.403 1 0 KKAFHN CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1 ZINC000103283313 562823693 /nfs/dbraw/zinc/82/36/93/562823693.db2.gz JMSGNVAFJFRXTL-NLDZOOGBSA-N 0 3 612.559 6.343 1 0 KKAFHN OC[C@@H](O)CN1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl ZINC000103297272 562824614 /nfs/dbraw/zinc/82/46/14/562824614.db2.gz QZTIHPDSTDDSTG-BDTNDASRSA-N 0 3 505.313 6.442 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037192 562827184 /nfs/dbraw/zinc/82/71/84/562827184.db2.gz GRTLNJODWXNLKX-FQEVSTJZSA-N 0 3 544.055 5.928 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cc2c(cc1Cl)OCO2 ZINC000114097507 562827525 /nfs/dbraw/zinc/82/75/25/562827525.db2.gz ASMVRJQSDPPCKK-QGZVFWFLSA-N 0 3 523.457 5.294 1 0 KKAFHN O=S1(=O)Nc2ccccc2CN1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000114817032 562828464 /nfs/dbraw/zinc/82/84/64/562828464.db2.gz WXEJTNMCWOBBFT-UHFFFAOYSA-N 0 3 511.638 5.514 1 0 KKAFHN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCCC4)ccn32)n1 ZINC000117888152 562829960 /nfs/dbraw/zinc/82/99/60/562829960.db2.gz BNZGXMAPYYDKLP-UHFFFAOYSA-N 0 3 535.652 5.040 1 0 KKAFHN Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118095778 562830177 /nfs/dbraw/zinc/83/01/77/562830177.db2.gz RZNSXSQJCXKGGP-UHFFFAOYSA-N 0 3 636.744 5.310 1 0 KKAFHN O=C(Nc1cccc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138528896 562832032 /nfs/dbraw/zinc/83/20/32/562832032.db2.gz UMVQRVFLSLPAEH-FDFHNCONSA-N 0 3 521.464 5.419 1 0 KKAFHN CC(C)N1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140192895 562832907 /nfs/dbraw/zinc/83/29/07/562832907.db2.gz ALFABUCBNSTHNO-DAAIBCRRSA-N 0 3 553.691 6.038 1 0 KKAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1 ZINC000141714754 562833702 /nfs/dbraw/zinc/83/37/02/562833702.db2.gz NYLGUBGOIZXEAH-AZGAKELHSA-N 0 3 540.693 5.182 1 0 KKAFHN [NH3+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000142556016 562834237 /nfs/dbraw/zinc/83/42/37/562834237.db2.gz CEZKXCISFFAHCY-IFMALSPDSA-N 0 3 511.496 5.012 1 0 KKAFHN F[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@@H](F)CN7)cc6[nH]5)cc4)oc3c2)NC1 ZINC000143820355 562835297 /nfs/dbraw/zinc/83/52/97/562835297.db2.gz YCBFOFFHHKXNQO-UHFFFAOYSA-N 0 3 509.560 5.624 1 0 KKAFHN CN1Cc2cc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nccn5c4n3)ccc2C(C)(C)C1 ZINC000144111802 562835798 /nfs/dbraw/zinc/83/57/98/562835798.db2.gz FIEFUTLSNLZAGA-UHFFFAOYSA-N 0 3 520.424 5.202 1 0 KKAFHN CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000145767176 562837587 /nfs/dbraw/zinc/83/75/87/562837587.db2.gz VKUZMCHROLFMPL-MUUNZHRXSA-N 0 3 514.695 6.677 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906466 562838908 /nfs/dbraw/zinc/83/89/08/562838908.db2.gz AEJRFQRMYCKSKQ-NEOZLGHSSA-N 0 3 576.540 5.550 1 0 KKAFHN CO[C@H]1CN(c2nc(-c3c4c(C)n[nH]c4ccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@@H]1N(C)C ZINC000146989388 562839023 /nfs/dbraw/zinc/83/90/23/562839023.db2.gz CHAJUOPMJHESDM-VMPREFPWSA-N 0 3 553.755 5.396 1 0 KKAFHN CCCCNC(=O)N1CC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147065429 562839134 /nfs/dbraw/zinc/83/91/34/562839134.db2.gz UNMXSYQWFIMBED-IUXWYWOJSA-N 0 3 618.581 5.193 1 0 KKAFHN CCN(CC)C(=O)N1CC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147217979 562839173 /nfs/dbraw/zinc/83/91/73/562839173.db2.gz ANPDJWHIUYONOC-IUXWYWOJSA-N 0 3 618.581 5.145 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(c4ccncc4)CC3)nc12 ZINC000148047854 562839971 /nfs/dbraw/zinc/83/99/71/562839971.db2.gz AZYBEOZRCDOOGK-UHFFFAOYSA-N 0 3 614.636 5.437 1 0 KKAFHN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CCCN(C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148064667 562840083 /nfs/dbraw/zinc/84/00/83/562840083.db2.gz UAJAYUZTLWGQGG-UHFFFAOYSA-N 0 3 587.006 5.238 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148146528 562840305 /nfs/dbraw/zinc/84/03/05/562840305.db2.gz UDQRKTFSPGLRRD-UHFFFAOYSA-N 0 3 585.610 5.122 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148161525 562840355 /nfs/dbraw/zinc/84/03/55/562840355.db2.gz VDMOWCPZTCICCY-UHFFFAOYSA-N 0 3 612.632 5.622 1 0 KKAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148150389 562840366 /nfs/dbraw/zinc/84/03/66/562840366.db2.gz HYDMAOJGEFUZKB-HXUWFJFHSA-N 0 3 623.684 5.189 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148165042 562840404 /nfs/dbraw/zinc/84/04/04/562840404.db2.gz NMDHUZLWLBLPEH-UHFFFAOYSA-N 0 3 566.588 5.258 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148168812 562840417 /nfs/dbraw/zinc/84/04/17/562840417.db2.gz OTIPQUMUFWBUBC-UHFFFAOYSA-N 0 3 607.685 5.731 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148168518 562840443 /nfs/dbraw/zinc/84/04/43/562840443.db2.gz QOZDAGUZHMVNOT-UHFFFAOYSA-N 0 3 629.691 6.353 1 0 KKAFHN COc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N5CCN(C(C)C)CC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148352034 562841154 /nfs/dbraw/zinc/84/11/54/562841154.db2.gz WVCAHTYYGMPTOT-UHFFFAOYSA-N 0 3 580.615 5.282 1 0 KKAFHN CC(C)Oc1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC000148604736 562841502 /nfs/dbraw/zinc/84/15/02/562841502.db2.gz ATBHOQNWZSXLBZ-UHFFFAOYSA-N 0 3 547.721 5.647 1 0 KKAFHN C[C@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1 ZINC000148778824 562841766 /nfs/dbraw/zinc/84/17/66/562841766.db2.gz NNWHHZWGFMXAIM-DNQXCXABSA-N 0 3 513.697 8.124 1 0 KKAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148761432 562841806 /nfs/dbraw/zinc/84/18/06/562841806.db2.gz FXYPQFBJRKMLDS-UHFFFAOYSA-N 0 3 598.132 5.398 1 0 KKAFHN Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CCN(C(C)C)CC6)c(C(F)(F)F)cc5[nH]4)c3N)ccc2[nH]1 ZINC000149900266 562842820 /nfs/dbraw/zinc/84/28/20/562842820.db2.gz JHNXJFLNZAUFGJ-UHFFFAOYSA-N 0 3 549.601 5.958 1 0 KKAFHN CC(C)(c1cc(Br)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572383 562845156 /nfs/dbraw/zinc/84/51/56/562845156.db2.gz NEYJXFWMMBBXBO-CLJLJLNGSA-N 0 3 942.375 6.220 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000150591263 562846220 /nfs/dbraw/zinc/84/62/20/562846220.db2.gz LBTNVOYZSMLSOC-JCVKEEEBSA-N 0 3 700.877 6.224 1 0 KKAFHN CC[C@]12C=CCN3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CCN8CCc9c%10ccccc%10n6c9[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596020 562846621 /nfs/dbraw/zinc/84/66/21/562846621.db2.gz ZQWXPMGCNIJOIB-NKFPNAPDSA-N 0 3 642.844 7.043 1 0 KKAFHN CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)nc4c3)o2)c1)c1ccccc1 ZINC000150599287 562847008 /nfs/dbraw/zinc/84/70/08/562847008.db2.gz DKGJHFWBWJHOPS-HTNZGVODSA-N 0 3 764.931 7.084 1 0 KKAFHN Cc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cnc6ccccc6n5)CC4)cc3)nc2n1 ZINC000166583774 562850468 /nfs/dbraw/zinc/85/04/68/562850468.db2.gz YGPAYECGDHPBMD-UHFFFAOYSA-N 0 3 510.645 6.695 1 0 KKAFHN Cc1cnc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000167020187 562850615 /nfs/dbraw/zinc/85/06/15/562850615.db2.gz RYHINOVPVSNHAE-UHFFFAOYSA-N 0 3 512.621 5.460 1 0 KKAFHN Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4CN4CCOCC4)c3)CC2)c1 ZINC000167518033 562850915 /nfs/dbraw/zinc/85/09/15/562850915.db2.gz JHTLYFBBYQROBV-DZHYTCOUSA-N 0 3 764.943 6.179 1 0 KKAFHN Cc1cccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN(C)C)c3)CC2)n1 ZINC000167571290 562850975 /nfs/dbraw/zinc/85/09/75/562850975.db2.gz DNONIZUKZJQPPF-WMPKNSHKSA-N 0 3 597.691 5.622 1 0 KKAFHN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCN5CCCC5)c[nH]4)c3)cc2)c1 ZINC000168974950 562851607 /nfs/dbraw/zinc/85/16/07/562851607.db2.gz KXBYOBLLYNHTNG-UHFFFAOYSA-N 0 3 542.615 5.786 1 0 KKAFHN O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169300363 562852810 /nfs/dbraw/zinc/85/28/10/562852810.db2.gz CXQUFXAIHBRRMW-PFBJBMPXSA-N 0 3 509.050 5.218 1 0 KKAFHN CC(C)CCN1CCC[C@@H](C)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169300828 562852837 /nfs/dbraw/zinc/85/28/37/562852837.db2.gz SIZIBPAHPIUMOL-KEKPKEOLSA-N 0 3 536.713 5.421 1 0 KKAFHN COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000169307471 562853818 /nfs/dbraw/zinc/85/38/18/562853818.db2.gz LBTNVOYZSMLSOC-BDOKSQTGSA-N 0 3 700.877 6.224 1 0 KKAFHN O=c1c(CCCCCCN2CCN(c3ccccc3)CC2)c([O-])c2ccccc2n1CCC[NH+]1CCCCC1 ZINC000169319125 562856194 /nfs/dbraw/zinc/85/61/94/562856194.db2.gz QJVMWDGVNXQZNK-PMERELPUSA-N 0 3 530.757 5.481 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169320916 562856537 /nfs/dbraw/zinc/85/65/37/562856537.db2.gz UETLQHNKZGLVFJ-UHFFFAOYSA-N 0 3 598.191 7.256 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169324449 562857343 /nfs/dbraw/zinc/85/73/43/562857343.db2.gz SSZANHBKYVEXRX-UHFFFAOYSA-N 0 3 570.137 6.476 1 0 KKAFHN CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334047 562859438 /nfs/dbraw/zinc/85/94/38/562859438.db2.gz AUGWPXBRUKPGNL-XMMPIXPASA-N 0 3 541.441 7.727 1 0 KKAFHN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)OCCN(C)C)cc2)n1 ZINC000169341144 562860707 /nfs/dbraw/zinc/86/07/07/562860707.db2.gz FHRINEAWKZNNEZ-UHFFFAOYSA-N 0 3 605.743 6.351 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(Cl)ccc3O)CC1 ZINC000169348361 562862164 /nfs/dbraw/zinc/86/21/64/562862164.db2.gz NXISLIWNMIHGEW-UHFFFAOYSA-N 0 3 603.085 8.120 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(F)cc4s3)c3c2c(Cl)ccc3O)CC1 ZINC000169348365 562862169 /nfs/dbraw/zinc/86/21/69/562862169.db2.gz ACVSRSHOAKOROK-UHFFFAOYSA-N 0 3 594.156 7.970 1 0 KKAFHN CC[C@@H](C)N(C(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348498 562862288 /nfs/dbraw/zinc/86/22/88/562862288.db2.gz VTJOLGKDSXXCAR-LITRCPILSA-N 0 3 626.842 6.306 1 0 KKAFHN Cc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CC(F)(F)F)c12 ZINC000169686729 562865111 /nfs/dbraw/zinc/86/51/11/562865111.db2.gz DFYLZQYTPNEEKS-CYBMUJFWSA-N 0 3 525.572 5.426 1 0 KKAFHN CC(C)CC(=O)N[C@@H](C)c1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698650 562867409 /nfs/dbraw/zinc/86/74/09/562867409.db2.gz MOSPDJNMCYSLQC-QHCPKHFHSA-N 0 3 617.820 5.792 1 0 KKAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702202 562868294 /nfs/dbraw/zinc/86/82/94/562868294.db2.gz IEAJHUICXWPQSG-LJQANCHMSA-N 0 3 545.087 6.084 1 0 KKAFHN CCOc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702429 562868363 /nfs/dbraw/zinc/86/83/63/562868363.db2.gz PWQFRSIKOOFVQU-UHFFFAOYSA-N 0 3 577.733 5.065 1 0 KKAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3C)CC4)c(Cl)c2)CC1 ZINC000169702458 562868384 /nfs/dbraw/zinc/86/83/84/562868384.db2.gz VJDOLCTUJAOYBR-UHFFFAOYSA-N 0 3 586.140 5.189 1 0 KKAFHN C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000169702691 562868530 /nfs/dbraw/zinc/86/85/30/562868530.db2.gz NRLJADWXSYTZGP-APJQNUAFSA-N 0 3 533.660 5.663 1 0 KKAFHN CC(=O)O[C@@]12CCN(C(C)=O)[C@@H]1N(C(C)=O)c1ccc(OC(=O)NCCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000169706588 562869876 /nfs/dbraw/zinc/86/98/76/562869876.db2.gz JCZCGQLHQOCURC-QZCRLSDHSA-N 0 3 641.769 5.578 1 0 KKAFHN O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CC[C@H](F)C1)CC2 ZINC000199680623 562873016 /nfs/dbraw/zinc/87/30/16/562873016.db2.gz KWNAEWYQYPOIBQ-RCSBWOJUSA-N 0 3 555.543 5.387 1 0 KKAFHN O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CC[C@H](F)C1)CC2 ZINC000199680596 562873046 /nfs/dbraw/zinc/87/30/46/562873046.db2.gz KWNAEWYQYPOIBQ-DDZLNHKNSA-N 0 3 555.543 5.387 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4cc(Cl)ccc4nc4c3CCCC4)cc12 ZINC000205596102 562875570 /nfs/dbraw/zinc/87/55/70/562875570.db2.gz UTQFNPJLIOYJFL-UHFFFAOYSA-N 0 3 590.168 7.078 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4cc(Cl)ccc4nc4c3CCCC4)cc12 ZINC000207725823 562876753 /nfs/dbraw/zinc/87/67/53/562876753.db2.gz MBBVMMONYFBGOE-UHFFFAOYSA-N 0 3 520.033 5.127 1 0 KKAFHN CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H](COC)c1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000219217833 562878000 /nfs/dbraw/zinc/87/80/00/562878000.db2.gz NRFXMHZRXOAGNB-XAGDYJCDSA-N 0 3 698.808 5.214 1 0 KKAFHN CC(=O)c1cnc2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc2c1Nc1cccc(CCN2CCCC2)c1 ZINC000219358412 562878132 /nfs/dbraw/zinc/87/81/32/562878132.db2.gz IZTXAFLGSALYPD-UHFFFAOYSA-N 0 3 527.668 7.859 1 0 KKAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000220435267 562878485 /nfs/dbraw/zinc/87/84/85/562878485.db2.gz GQAUXDGBKSBOQH-XUZZJYLKSA-N 0 3 558.733 5.310 1 0 KKAFHN CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc12 ZINC000221458124 562878973 /nfs/dbraw/zinc/87/89/73/562878973.db2.gz CPSSIDMPFSBMRO-UHFFFAOYSA-N 0 3 625.858 8.375 1 0 KKAFHN CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(Cl)nc4s3)c3c2c(-c2ccc(F)cc2)c(F)cc3[O-])CC1 ZINC000221967252 562879416 /nfs/dbraw/zinc/87/94/16/562879416.db2.gz MEOSYRMQDNYEEI-UHFFFAOYSA-N 0 3 689.232 9.171 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222195424 562879797 /nfs/dbraw/zinc/87/97/97/562879797.db2.gz OPZFRGMIMMLJME-UHFFFAOYSA-N 0 3 693.702 6.351 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)SCC(=O)Nc1ccc(Br)cc1 ZINC000222390625 562879809 /nfs/dbraw/zinc/87/98/09/562879809.db2.gz NYQKWDVXXVLEGH-JBENSDGMSA-N 0 3 768.840 8.075 1 0 KKAFHN Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CCN(C)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224073259 562880248 /nfs/dbraw/zinc/88/02/48/562880248.db2.gz BIIFEKIGTUMZNZ-AREMUKBSSA-N 0 3 515.460 6.777 1 0 KKAFHN C[C@@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253638457 562882464 /nfs/dbraw/zinc/88/24/64/562882464.db2.gz RCIMAYJLHGXJSS-RVGQZVGJSA-N 0 3 509.137 5.127 1 0 KKAFHN C[C@@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000253638457 562882465 /nfs/dbraw/zinc/88/24/65/562882465.db2.gz RCIMAYJLHGXJSS-RVGQZVGJSA-N 0 3 509.137 5.127 1 0 KKAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCN4CCCC4)c4ccc(C)cc34)cc2)c1C ZINC000299824293 562883203 /nfs/dbraw/zinc/88/32/03/562883203.db2.gz BADWODUALRLBJL-UHFFFAOYSA-N 0 3 568.722 5.233 1 0 KKAFHN CN(Cc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299825918 562883679 /nfs/dbraw/zinc/88/36/79/562883679.db2.gz CZMVYBAAORSTAC-UHFFFAOYSA-N 0 3 569.533 5.463 1 0 KKAFHN CNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299826232 562883792 /nfs/dbraw/zinc/88/37/92/562883792.db2.gz GFJFSOFZAWPPSA-UHFFFAOYSA-N 0 3 594.873 5.809 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(C)c4)cc3)ccc2OC)c1 ZINC000299826237 562883832 /nfs/dbraw/zinc/88/38/32/562883832.db2.gz FQWSEFXURXKVET-UHFFFAOYSA-N 0 3 536.672 7.072 1 0 KKAFHN CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299826452 562883841 /nfs/dbraw/zinc/88/38/41/562883841.db2.gz DCUNJBOOHFVTCV-UHFFFAOYSA-N 0 3 570.333 7.589 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1ccccc1 ZINC000299827723 562884224 /nfs/dbraw/zinc/88/42/24/562884224.db2.gz HJMKMXFAOSSGOY-UHFFFAOYSA-N 0 3 555.506 5.467 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccccc2)CC1 ZINC000299828295 562884438 /nfs/dbraw/zinc/88/44/38/562884438.db2.gz IUWYCRAYDYCRST-CCURTVBJSA-N 0 3 637.652 6.989 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3Cl)ccc2OC)c1 ZINC000299828765 562884584 /nfs/dbraw/zinc/88/45/84/562884584.db2.gz HFVPIEAVKSFOIC-UHFFFAOYSA-N 0 3 557.090 7.417 1 0 KKAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC[C@H](N(C)C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299830343 562885219 /nfs/dbraw/zinc/88/52/19/562885219.db2.gz MQQQMEUUNLSUHC-SANMLTNESA-N 0 3 568.722 5.232 1 0 KKAFHN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cn3)ccc2OC)c1 ZINC000299831282 562885485 /nfs/dbraw/zinc/88/54/85/562885485.db2.gz JBBUFVJFNISXNF-UHFFFAOYSA-N 0 3 523.633 6.158 1 0 KKAFHN CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCc2ccccc2C1 ZINC000299833834 562886291 /nfs/dbraw/zinc/88/62/91/562886291.db2.gz XEOSNEZQGYRQBX-MUUNZHRXSA-N 0 3 609.598 5.820 1 0 KKAFHN COc1cc(OC)cc(OCc2ccc(CCN3CCN(c4ccccc4C(F)(F)F)CC3)cc2)c1 ZINC000299834256 562886418 /nfs/dbraw/zinc/88/64/18/562886418.db2.gz LCDOBWRPYBGBQS-UHFFFAOYSA-N 0 3 500.561 5.666 1 0 KKAFHN COc1ccc2oc(=O)c(C(=O)NCCCCCCCNc3c4ccccc4nc4c3CCCC4)cc2c1 ZINC000299836356 562887108 /nfs/dbraw/zinc/88/71/08/562887108.db2.gz YZNFMAJDGODDBL-UHFFFAOYSA-N 0 3 513.638 6.021 1 0 KKAFHN Cc1nc(C(=O)NCCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299837513 562887492 /nfs/dbraw/zinc/88/74/92/562887492.db2.gz QWENAWZBDMGXSP-UHFFFAOYSA-N 0 3 533.720 7.634 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCNc4c5ccc(Cl)cc5nc5c4[C@H]4CC(C)=C[C@@H](C5)C4)c3[C@@H](C1)C2 ZINC000299838368 562887836 /nfs/dbraw/zinc/88/78/36/562887836.db2.gz QGHFTRPRTMZIAB-VIJSPRBVSA-N 0 3 651.726 11.166 1 0 KKAFHN N[C@@H](Cc1c[nH]c(C2CCCCC2)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCCC2)n1)C(=O)NCc1ccccc1 ZINC000299840270 562888475 /nfs/dbraw/zinc/88/84/75/562888475.db2.gz WRNPQQRILJBKSM-RHNUXINZSA-N 0 3 731.946 5.351 1 0 KKAFHN N[C@@H](Cc1c[nH]c(C2CCCCC2)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C2CCCCC2)[nH]1)C(=O)NCc1ccccc1 ZINC000299840270 562888476 /nfs/dbraw/zinc/88/84/76/562888476.db2.gz WRNPQQRILJBKSM-RHNUXINZSA-N 0 3 731.946 5.351 1 0 KKAFHN N[C@@H](Cc1cnc(C2CCCCC2)[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCCC2)n1)C(=O)NCc1ccccc1 ZINC000299840270 562888477 /nfs/dbraw/zinc/88/84/77/562888477.db2.gz WRNPQQRILJBKSM-RHNUXINZSA-N 0 3 731.946 5.351 1 0 KKAFHN COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccc(Cl)cc1 ZINC000299840299 562888488 /nfs/dbraw/zinc/88/84/88/562888488.db2.gz UXDWJYHNFVXUDC-UHFFFAOYSA-N 0 3 527.064 7.408 1 0 KKAFHN C/C=C/c1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1C ZINC000299841196 562888772 /nfs/dbraw/zinc/88/87/72/562888772.db2.gz YNKAPRZFCFBVEL-KGQHOTLNSA-N 0 3 537.626 5.733 1 0 KKAFHN CCN(CC)CCOc1c(I)cc(C(=O)c2c(CCCCO)oc3ccccc32)cc1I ZINC000299853878 562891239 /nfs/dbraw/zinc/89/12/39/562891239.db2.gz RLQKRIKDIQASSH-UHFFFAOYSA-N 0 3 661.318 5.909 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299854680 562891417 /nfs/dbraw/zinc/89/14/17/562891417.db2.gz AGELYORQPXWSGA-WJOKGBTCSA-N 0 3 501.671 5.837 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCNc1c3ccccc3nc3c1CCCC3)O2 ZINC000299861293 562893245 /nfs/dbraw/zinc/89/32/45/562893245.db2.gz IDTWGEUFPVJYSJ-JGCGQSQUSA-N 0 3 515.698 6.227 1 0 KKAFHN N=c1n(CCCCCCCCCCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000377444191 562895877 /nfs/dbraw/zinc/89/58/77/562895877.db2.gz MMRAVWGZMUDIIB-UHFFFAOYSA-N 0 3 551.823 7.694 1 0 KKAFHN CCN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000473091481 562897678 /nfs/dbraw/zinc/89/76/78/562897678.db2.gz YRUXVFSWUXJJIF-UHFFFAOYSA-N 0 3 609.598 5.820 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000473108880 562898438 /nfs/dbraw/zinc/89/84/38/562898438.db2.gz PMXBXUBZBFDFCX-UHFFFAOYSA-N 0 3 722.740 6.260 1 0 KKAFHN COc1ccccc1CN(C)CCCCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473112572 562898682 /nfs/dbraw/zinc/89/86/82/562898682.db2.gz FJCJWXPTKNWOSL-UHFFFAOYSA-N 0 3 561.675 6.566 1 0 KKAFHN CC[N@H+](CCCCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1)Cc1ccccc1OC ZINC000473116485 562899133 /nfs/dbraw/zinc/89/91/33/562899133.db2.gz WXZMHKXBHLIMJU-UHFFFAOYSA-N 0 3 561.675 6.653 1 0 KKAFHN CC[N@@H+](CCCCCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1)Cc1ccccc1OC ZINC000473116485 562899134 /nfs/dbraw/zinc/89/91/34/562899134.db2.gz WXZMHKXBHLIMJU-UHFFFAOYSA-N 0 3 561.675 6.653 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473135418 562900694 /nfs/dbraw/zinc/90/06/94/562900694.db2.gz ICGHMQHSQKDWOL-UHFFFAOYSA-N 0 3 699.748 6.394 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473135557 562900752 /nfs/dbraw/zinc/90/07/52/562900752.db2.gz JNNLOWPEDUXZCE-UHFFFAOYSA-N 0 3 687.859 6.672 1 0 KKAFHN [NH3+]CCCOc1ccccc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000473136247 562900976 /nfs/dbraw/zinc/90/09/76/562900976.db2.gz ZTSMBWRUGSDFBM-UHFFFAOYSA-N 0 3 548.039 5.378 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152113 562901790 /nfs/dbraw/zinc/90/17/90/562901790.db2.gz HUFWBIPWZUHEBJ-IGKWTDBASA-N 0 3 564.126 5.975 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152113 562901791 /nfs/dbraw/zinc/90/17/91/562901791.db2.gz HUFWBIPWZUHEBJ-IGKWTDBASA-N 0 3 564.126 5.975 1 0 KKAFHN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCNc1c3ccc(Cl)cc3nc3c1CCCC3)O2 ZINC000473152448 562901845 /nfs/dbraw/zinc/90/18/45/562901845.db2.gz UGEBTJZBDCKUJD-YTTGMZPUSA-N 0 3 550.143 6.302 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152734 562901878 /nfs/dbraw/zinc/90/18/78/562901878.db2.gz VVKDAPKAJJSSNM-UMSFTDKQSA-N 0 3 559.751 6.047 1 0 KKAFHN CN1CCN(c2ccc3[nH]c(-c4ccc(OCc5cccc(COc6ccc(-c7nc8cc(N9CCN(C)CC9)ccc8[nH]7)cc6)n5)cc4)nc3c2)CC1 ZINC000473155329 562902415 /nfs/dbraw/zinc/90/24/15/562902415.db2.gz RRSBVSVFWLSBGS-UHFFFAOYSA-N 0 3 719.894 6.830 1 0 KKAFHN CN(C)[C@@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159159 562902613 /nfs/dbraw/zinc/90/26/13/562902613.db2.gz LGJHZIDUGLYJQL-CTUHWIOQSA-N 0 3 565.133 6.021 1 0 KKAFHN CN(C)[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159159 562902614 /nfs/dbraw/zinc/90/26/14/562902614.db2.gz LGJHZIDUGLYJQL-CTUHWIOQSA-N 0 3 565.133 6.021 1 0 KKAFHN C[NH+](C)[C@@H]1CCN(C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159159 562902615 /nfs/dbraw/zinc/90/26/15/562902615.db2.gz LGJHZIDUGLYJQL-CTUHWIOQSA-N 0 3 565.133 6.021 1 0 KKAFHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccc3)n2)cc1 ZINC000653710225 562908088 /nfs/dbraw/zinc/90/80/88/562908088.db2.gz WQLXOKGVPGKMCK-UHFFFAOYSA-N 0 3 505.544 6.528 1 0 KKAFHN COc1cccc(-c2cccc(NC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c2)c1 ZINC000653711364 562908118 /nfs/dbraw/zinc/90/81/18/562908118.db2.gz FIQOIHVQOBHRSE-UHFFFAOYSA-N 0 3 513.594 5.894 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4cccc5cccnc54)nn3)cc1)CC2 ZINC000653719086 562908674 /nfs/dbraw/zinc/90/86/74/562908674.db2.gz JLTUAKAHAAACPD-UHFFFAOYSA-N 0 3 521.621 5.013 1 0 KKAFHN Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000653725361 562909044 /nfs/dbraw/zinc/90/90/44/562909044.db2.gz IILKKEJGEAWNLW-UHFFFAOYSA-N 0 3 514.555 5.626 1 0 KKAFHN O=C(Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1)C(F)(F)F ZINC000653725385 562909079 /nfs/dbraw/zinc/90/90/79/562909079.db2.gz OPTUCAZEDIFLPC-UHFFFAOYSA-N 0 3 610.562 6.545 1 0 KKAFHN N[C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000653727832 562909247 /nfs/dbraw/zinc/90/92/47/562909247.db2.gz OIEMABJJRMOPCQ-XDSPJLLDSA-N 0 3 644.816 5.165 1 0 KKAFHN Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCN(CCN(C)C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653750425 562910681 /nfs/dbraw/zinc/91/06/81/562910681.db2.gz ODDDPXBADOUTBR-DEOSSOPVSA-N 0 3 576.749 5.820 1 0 KKAFHN CN(CCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653830184 562914537 /nfs/dbraw/zinc/91/45/37/562914537.db2.gz AIQDEPYUQBAQFT-UHFFFAOYSA-N 0 3 604.747 7.862 1 0 KKAFHN CN(CCCOc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653830247 562914549 /nfs/dbraw/zinc/91/45/49/562914549.db2.gz XLSDMIVWGMAJHD-UHFFFAOYSA-N 0 3 639.192 8.516 1 0 KKAFHN Cc1c2cc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)NCCN(C)C ZINC000653888087 562917118 /nfs/dbraw/zinc/91/71/18/562917118.db2.gz XGEBJAZLOYGQGF-UHFFFAOYSA-N 0 3 560.503 5.735 1 0 KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3c(O)c(OC)cc4c3[C@H](C2)N(C)CC4)CCN1C ZINC000070451160 565119141 /nfs/dbraw/zinc/11/91/41/565119141.db2.gz YVXUDJFUKQSSHZ-SXOMAYOGSA-N 0 3 624.734 6.565 1 0 biogenic,in-vitro KKAFHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c([O-])c(OC)cc3cc[n+](C)c(c31)C2 ZINC000085506031 565130371 /nfs/dbraw/zinc/13/03/71/565130371.db2.gz JBCHKQLKJGBYDT-MUUNZHRXSA-O 0 3 605.711 6.656 1 0 biogenic,in-vitro KKAFHN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000085541015 565139129 /nfs/dbraw/zinc/13/91/29/565139129.db2.gz DNVRACCNTZAQFE-ACHIHNKUSA-N 0 3 652.788 6.785 1 0 biogenic,in-vitro KKAFHN CCNCc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2[C@@H](Cc2ccccc2)Cc2cc(O)cc(OC)c2-3)[C@@H]1COC(C)=O ZINC000085568459 565143616 /nfs/dbraw/zinc/14/36/16/565143616.db2.gz ZJYFHVSUDVSIPP-IMCYIHTOSA-N 0 3 609.719 6.554 1 0 biogenic,in-vitro KKAFHN COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C ZINC000085849252 565170509 /nfs/dbraw/zinc/17/05/09/565170509.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 0 3 608.735 6.859 1 0 biogenic,in-vitro KKAFHN COc1cc2c(cc1O)[C@H]1CN(C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CCN(C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173569 /nfs/dbraw/zinc/17/35/69/565173569.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 0 3 636.789 6.169 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@@]23CCC[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000085567398 291940248 /nfs/dbraw/zinc/94/02/48/291940248.db2.gz LVUYCUISTNKZJS-KXLOOIBBSA-N 0 3 762.900 6.499 1 0 biogenic,in-vitro KKAFHN CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000003931507 561687520 /nfs/dbraw/zinc/68/75/20/561687520.db2.gz ORBIOMYKKPXZOT-VMPREFPWSA-N 0 3 523.762 5.600 1 0 KKAFHN CN(C)CCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003932381 561687745 /nfs/dbraw/zinc/68/77/45/561687745.db2.gz MUDKXWPCSGTKHJ-QHCPKHFHSA-N 0 3 541.536 5.777 1 0 KKAFHN COc1ccccc1CN1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003956206 561690902 /nfs/dbraw/zinc/69/09/02/561690902.db2.gz DWXZKZCKLAHOOY-QHCPKHFHSA-N 0 3 500.483 5.861 1 0 KKAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O ZINC000003986215 561692924 /nfs/dbraw/zinc/69/29/24/561692924.db2.gz FIEWONGMXHAGRE-QKDODKLFSA-N 0 3 620.713 5.319 1 0 KKAFHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)OC(C)(C)C ZINC000004995243 561695548 /nfs/dbraw/zinc/69/55/48/561695548.db2.gz AVDIGXKFDNTSGD-LKFSIGMXSA-N 0 3 637.818 5.707 1 0 KKAFHN O=C([N-]CCC[NH+](CCCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F ZINC000005834429 561698924 /nfs/dbraw/zinc/69/89/24/561698924.db2.gz XQSNHBODALMVGJ-UHFFFAOYSA-N 0 3 630.718 5.773 1 0 KKAFHN O=C([N-]CCC[NH+](CCCC[N@H+](CCC[N-]C(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F ZINC000005834429 561698925 /nfs/dbraw/zinc/69/89/25/561698925.db2.gz XQSNHBODALMVGJ-UHFFFAOYSA-N 0 3 630.718 5.773 1 0 KKAFHN O=C(NCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1c[nH]c2ccccc12 ZINC000013675668 561724092 /nfs/dbraw/zinc/72/40/92/561724092.db2.gz NTWXQLUPCDPUOH-UHFFFAOYSA-N 0 3 503.090 7.431 1 0 KKAFHN CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(C(F)(F)F)ccc34)CC2)C1=O ZINC000013731162 561725162 /nfs/dbraw/zinc/72/51/62/561725162.db2.gz GAIGLAXWAMZODA-UHFFFAOYSA-N 0 3 516.583 6.114 1 0 KKAFHN CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCCN2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000013781692 561729434 /nfs/dbraw/zinc/72/94/34/561729434.db2.gz JVOUSBDNKSHHNC-PMERELPUSA-N 0 3 522.799 6.906 1 0 KKAFHN CC(C)c1cccc(C(C)C)c1N1CCN(CCC2CCN(C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000013813723 561731844 /nfs/dbraw/zinc/73/18/44/561731844.db2.gz PBTGVANSAJOWQK-RUZDIDTESA-N 0 3 505.703 6.118 1 0 KKAFHN CC(C)c1cccc(C(C)C)c1N1CCN(CCC2CCN(C[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000013813726 561731893 /nfs/dbraw/zinc/73/18/93/561731893.db2.gz PBTGVANSAJOWQK-VWLOTQADSA-N 0 3 505.703 6.118 1 0 KKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(C(F)(F)F)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834312 561734157 /nfs/dbraw/zinc/73/41/57/561734157.db2.gz ATWOTNVLNKZCHV-UHFFFAOYSA-N 0 3 525.592 7.388 1 0 KKAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014128065 561736845 /nfs/dbraw/zinc/73/68/45/561736845.db2.gz ITHOBZKJMFCARD-PNBVQZGLSA-N 0 3 557.181 5.289 1 0 KKAFHN Clc1cc(Cl)c2c(c1)nc1c(c2SCCCCCCNc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000014947270 561744550 /nfs/dbraw/zinc/74/45/50/561744550.db2.gz IJFBNCJAPVDBOX-UHFFFAOYSA-N 0 3 564.626 9.612 1 0 KKAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccc(Cl)cc5nc5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947326 561744743 /nfs/dbraw/zinc/74/47/43/561744743.db2.gz JVAZMJIFYNHUQW-FTJBHMTQSA-N 0 3 627.704 10.829 1 0 in-vivo KKAFHN CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1 ZINC000014953474 561746577 /nfs/dbraw/zinc/74/65/77/561746577.db2.gz QXLYGSVBJIHLCV-UHFFFAOYSA-N 0 3 548.659 5.836 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2ccccc2)c1 ZINC000014959566 561748198 /nfs/dbraw/zinc/74/81/98/561748198.db2.gz BBFRLBGJFFIVOR-XZWHSSHBSA-N 0 3 551.678 5.027 1 0 KKAFHN Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000019365805 561758466 /nfs/dbraw/zinc/75/84/66/561758466.db2.gz XUZRYWIVJZMYFM-WDYNHAJCSA-N 0 3 501.621 6.291 1 0 KKAFHN CN1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1 ZINC000021289517 561758807 /nfs/dbraw/zinc/75/88/07/561758807.db2.gz BUUXCZKMEAGSSK-UHFFFAOYSA-N 0 3 559.546 5.358 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC4CCCCC4)nc3n2)CC1 ZINC000021289430 561758815 /nfs/dbraw/zinc/75/88/15/561758815.db2.gz CLVSAAPONJRSGJ-UHFFFAOYSA-N 0 3 571.557 5.502 1 0 KKAFHN C[N@@H+]1C[C@H](c2c[nH]c3c2c([O-])cc(Br)c3Br)NC[C@H]1c1c[nH]c2cc(Br)ccc21 ZINC000022447401 561759047 /nfs/dbraw/zinc/75/90/47/561759047.db2.gz AUJKXAIGSXKZBR-SJORKVTESA-N 0 3 583.122 5.960 1 0 KKAFHN C[N@H+]1C[C@H](c2c[nH]c3c2c([O-])cc(Br)c3Br)NC[C@H]1c1c[nH]c2cc(Br)ccc21 ZINC000022447401 561759048 /nfs/dbraw/zinc/75/90/48/561759048.db2.gz AUJKXAIGSXKZBR-SJORKVTESA-N 0 3 583.122 5.960 1 0 KKAFHN CN1C[C@H](c2c[nH]c3c2c([O-])cc(Br)c3Br)[NH2+]C[C@H]1c1c[nH]c2cc(Br)ccc21 ZINC000022447401 561759049 /nfs/dbraw/zinc/75/90/49/561759049.db2.gz AUJKXAIGSXKZBR-SJORKVTESA-N 0 3 583.122 5.960 1 0 KKAFHN COc1ccc(CN2CCN(CCCC(=O)N[C@H]3c4ccccc4SC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000022940070 561760906 /nfs/dbraw/zinc/76/09/06/561760906.db2.gz OHVAMWRJSXNVJD-RFJFUGTDSA-N 0 3 507.744 5.363 1 0 KKAFHN CN(C)c1ccc(NC[C@@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941096 561761076 /nfs/dbraw/zinc/76/10/76/561761076.db2.gz ZQBJCKIJBOEXIA-SSEXGKCCSA-N 0 3 522.684 5.034 1 0 KKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 ZINC000026182406 561771943 /nfs/dbraw/zinc/77/19/43/561771943.db2.gz KCBPRDRJOWCGOP-SVBPBHIXSA-N 0 3 544.183 6.920 1 0 KKAFHN CC(C)(C)NC(=O)[C@H](CC1CCCCC1)N1CCC(O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000026269664 561777047 /nfs/dbraw/zinc/77/70/47/561777047.db2.gz JZCGRYARZVXUBG-UIOOFZCWSA-N 0 3 529.766 5.203 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000026273498 561777625 /nfs/dbraw/zinc/77/76/25/561777625.db2.gz MAWFLIXGSFCFQL-SSEXGKCCSA-N 0 3 559.694 8.363 1 0 KKAFHN CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026499535 561795124 /nfs/dbraw/zinc/79/51/24/561795124.db2.gz VHTGHUBHIIFLLJ-GDLZYMKVSA-N 0 3 612.236 6.648 1 0 KKAFHN CCCN(C(=O)N[C@@H](C)c1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500154 561795251 /nfs/dbraw/zinc/79/52/51/561795251.db2.gz ULYSBKOLJAVXSU-QCENPCRXSA-N 0 3 590.834 6.128 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCc2ccncc2)[C@@H](C2=C(C)SCCS2)C1C(=O)OCc1ccncc1 ZINC000026654375 561809010 /nfs/dbraw/zinc/80/90/10/561809010.db2.gz RYPALGXDIDDMDF-CYBWEPMMSA-N 0 3 509.653 5.582 1 0 KKAFHN COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026573916 561798731 /nfs/dbraw/zinc/79/87/31/561798731.db2.gz WIUSLLLTFQPYHM-UHFFFAOYSA-N 0 3 628.789 6.031 1 0 KKAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000026577650 561802214 /nfs/dbraw/zinc/80/22/14/561802214.db2.gz RGELNGVLMUXMQG-UHFFFAOYSA-N 0 3 604.526 5.349 1 0 KKAFHN CCOCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026672158 561812670 /nfs/dbraw/zinc/81/26/70/561812670.db2.gz JPUGXAMECQJERZ-LDLOPFEMSA-N 0 3 737.725 7.174 1 0 KKAFHN O=C(CN1CCCCC1)Nc1cc(CNCc2ccc(Cl)cc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672250 561812712 /nfs/dbraw/zinc/81/27/12/561812712.db2.gz MUHNHFMHKZGXIB-UHFFFAOYSA-N 0 3 548.518 6.999 1 0 KKAFHN COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674079 561813348 /nfs/dbraw/zinc/81/33/48/561813348.db2.gz SBMCXVUSNRZQAG-RRHRGVEJSA-N 0 3 676.814 6.472 1 0 KKAFHN COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4CCOc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674348 561813490 /nfs/dbraw/zinc/81/34/90/561813490.db2.gz ZKIRNRZUIHQPCN-RWYGWLOXSA-N 0 3 706.840 6.503 1 0 KKAFHN CC(C)Oc1cccc(CC(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c1 ZINC000026718020 561814558 /nfs/dbraw/zinc/81/45/58/561814558.db2.gz GHVPKFCDNOFWEW-SJARJILFSA-N 0 3 730.881 7.437 1 0 KKAFHN CN(CCCN1C(=S)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026836384 561824485 /nfs/dbraw/zinc/82/44/85/561824485.db2.gz UMIAUEYAPOVSMU-NDEPHWFRSA-N 0 3 558.810 6.492 1 0 KKAFHN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 ZINC000026840625 561825720 /nfs/dbraw/zinc/82/57/20/561825720.db2.gz MVPFSLAMRFZZRY-BHVANESWSA-N 0 3 594.731 5.898 1 0 KKAFHN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026843046 561826098 /nfs/dbraw/zinc/82/60/98/561826098.db2.gz UYRIKGJBKKNPSC-IPZQJPLYSA-N 0 3 656.227 6.581 1 0 KKAFHN CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)C1C(=O)OC(C)C ZINC000026956194 561829215 /nfs/dbraw/zinc/82/92/15/561829215.db2.gz ZICOEXZCJKMWFV-IUKMQXEJSA-N 0 3 542.101 6.438 1 0 KKAFHN Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000027108133 561840743 /nfs/dbraw/zinc/84/07/43/561840743.db2.gz SRMUVNYIIOIOPC-URFQBADOSA-N 0 3 529.640 5.215 1 0 KKAFHN CCN(CC)CCO/N=C1\C=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](OC(C)=O)C[C@@H]2C1(C)C ZINC000027410505 561856335 /nfs/dbraw/zinc/85/63/35/561856335.db2.gz KPLRMIZYYDOWGI-SFTVQOBMSA-N 0 3 550.784 7.384 1 0 KKAFHN O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccc(I)cc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000027424817 561858196 /nfs/dbraw/zinc/85/81/96/561858196.db2.gz BKFRBKWZTZFMJW-UHFFFAOYSA-N 0 3 611.499 5.734 1 0 KKAFHN CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027522642 561864579 /nfs/dbraw/zinc/86/45/79/561864579.db2.gz POQAFSKCCQVOAP-SKCUWOTOSA-N 0 3 569.681 5.215 1 0 KKAFHN COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 ZINC000027518232 561862042 /nfs/dbraw/zinc/86/20/42/561862042.db2.gz NJFJLIABUZMOAH-RUZDIDTESA-N 0 3 571.606 6.083 1 0 KKAFHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)C[C@@H]1C ZINC000027518853 561862657 /nfs/dbraw/zinc/86/26/57/561862657.db2.gz JWRNDENHFBRQCM-ROUUACIJSA-N 0 3 559.460 5.408 1 0 KKAFHN O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520240 561863373 /nfs/dbraw/zinc/86/33/73/561863373.db2.gz XYXHIWPGWLEQOL-NRFANRHFSA-N 0 3 596.601 5.251 1 0 KKAFHN O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520240 561863375 /nfs/dbraw/zinc/86/33/75/561863375.db2.gz XYXHIWPGWLEQOL-NRFANRHFSA-N 0 3 596.601 5.251 1 0 KKAFHN COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547765 561867236 /nfs/dbraw/zinc/86/72/36/561867236.db2.gz AOIKUDXNCODUKV-GDLZYMKVSA-N 0 3 540.655 5.188 1 0 KKAFHN CC(C)CC1C(=O)N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027626427 561873245 /nfs/dbraw/zinc/87/32/45/561873245.db2.gz DGCFYCDTVAXPOR-SANMLTNESA-N 0 3 560.609 5.048 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCC(C)C)[C@@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)C1C(=O)OCC(C)C ZINC000027712892 561879893 /nfs/dbraw/zinc/87/98/93/561879893.db2.gz ZQFLGVVZOZAMMA-DHJMZRGKSA-N 0 3 508.615 5.947 1 0 KKAFHN COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742396 561882645 /nfs/dbraw/zinc/88/26/45/561882645.db2.gz YZWWEMUJDZEDSE-UIOOFZCWSA-N 0 3 525.070 5.624 1 0 KKAFHN COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742388 561882688 /nfs/dbraw/zinc/88/26/88/561882688.db2.gz YZWWEMUJDZEDSE-CLJLJLNGSA-N 0 3 525.070 5.624 1 0 KKAFHN Oc1ccc2c(c1)sc(-c1ccc(OCCN3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2n2ccnc2)cc1 ZINC000027858927 561886759 /nfs/dbraw/zinc/88/67/59/561886759.db2.gz ZBOLEBXIZATQTP-KKLWWLSJSA-N 0 3 593.793 8.099 1 0 KKAFHN COc1ccccc1N1CCN(CCC[C@]2(c3ccc(F)cc3)OCCc3cc(OC)c(OC)cc32)CC1 ZINC000027884716 561889440 /nfs/dbraw/zinc/88/94/40/561889440.db2.gz HSQHFFBLIVRFMK-WJOKGBTCSA-N 0 3 520.645 5.270 1 0 KKAFHN CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccc(N)cc1 ZINC000027893906 561890035 /nfs/dbraw/zinc/89/00/35/561890035.db2.gz QRBDEVSTRKUBFT-DQSJHHFOSA-N 0 3 538.473 6.717 1 0 KKAFHN COC(=O)c1ccc(-c2sc3cc(C(=O)OC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000027995932 561893781 /nfs/dbraw/zinc/89/37/81/561893781.db2.gz TXLYZNHVBNAZKM-UHFFFAOYSA-N 0 3 557.668 6.237 1 0 KKAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997211 561894036 /nfs/dbraw/zinc/89/40/36/561894036.db2.gz NTMVVGPIFKNDSZ-RUXKANOASA-N 0 3 659.632 5.988 1 0 KKAFHN CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010804 561896377 /nfs/dbraw/zinc/89/63/77/561896377.db2.gz KJLMBMNGYISETQ-BEJSXWRTSA-N 0 3 554.779 6.499 1 0 KKAFHN CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010804 561896379 /nfs/dbraw/zinc/89/63/79/561896379.db2.gz KJLMBMNGYISETQ-BEJSXWRTSA-N 0 3 554.779 6.499 1 0 KKAFHN COc1ccc(OCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012459 561896501 /nfs/dbraw/zinc/89/65/01/561896501.db2.gz AGLFWGJQCMSLJD-UUWRZZSWSA-N 0 3 605.801 5.889 1 0 KKAFHN CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011905 561896528 /nfs/dbraw/zinc/89/65/28/561896528.db2.gz XKTMBPJXKQPVLC-CVZYHWGHSA-N 0 3 596.860 7.203 1 0 KKAFHN CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011905 561896530 /nfs/dbraw/zinc/89/65/30/561896530.db2.gz XKTMBPJXKQPVLC-CVZYHWGHSA-N 0 3 596.860 7.203 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015158 561897102 /nfs/dbraw/zinc/89/71/02/561897102.db2.gz MXCQYIXLBGSZRW-LWKLBADKSA-N 0 3 568.806 6.422 1 0 KKAFHN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015158 561897104 /nfs/dbraw/zinc/89/71/04/561897104.db2.gz MXCQYIXLBGSZRW-LWKLBADKSA-N 0 3 568.806 6.422 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3n[nH]cc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000028019641 561898154 /nfs/dbraw/zinc/89/81/54/561898154.db2.gz GJXUXVVFUGSMMQ-JUERCWOXSA-N 0 3 566.790 6.418 1 0 KKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3n[nH]cc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000028019641 561898156 /nfs/dbraw/zinc/89/81/56/561898156.db2.gz GJXUXVVFUGSMMQ-JUERCWOXSA-N 0 3 566.790 6.418 1 0 KKAFHN COc1ccc(OCCCN(C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020660 561898456 /nfs/dbraw/zinc/89/84/56/561898456.db2.gz IBYSMUQVMPGPNX-HKBQPEDESA-N 0 3 566.720 5.822 1 0 KKAFHN CCC(=O)N1c2ccccc2S[C@@H]1c1cc(OC)ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028092125 561900143 /nfs/dbraw/zinc/90/01/43/561900143.db2.gz MXWBHDROFAXUDI-MGBGTMOVSA-N 0 3 558.744 6.997 1 0 KKAFHN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCNCC2)cc1 ZINC000028101301 561901658 /nfs/dbraw/zinc/90/16/58/561901658.db2.gz NRANTPWFPSRULP-UHFFFAOYSA-N 0 3 546.458 5.970 1 0 KKAFHN CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128408 561905296 /nfs/dbraw/zinc/90/52/96/561905296.db2.gz JTXBXFTVOCSXTB-CONSDPRKSA-N 0 3 574.169 6.304 1 0 KKAFHN CN(C)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000028129806 561905554 /nfs/dbraw/zinc/90/55/54/561905554.db2.gz IICKNDLOOPCZIA-UHFFFAOYSA-N 0 3 501.833 6.639 1 0 KKAFHN CN(C(=O)N1CC[C@@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000028136728 561906714 /nfs/dbraw/zinc/90/67/14/561906714.db2.gz TYCHPBQYNABPSC-LOYHVIPDSA-N 0 3 590.690 6.161 1 0 KKAFHN CCCCN1CC[C@@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000028137368 561906971 /nfs/dbraw/zinc/90/69/71/561906971.db2.gz UTAPFVCSIYSFAD-CLJLJLNGSA-N 0 3 530.635 5.445 1 0 KKAFHN O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)nc(SCCNCc1ccccc1)n2Cc1ccccc1 ZINC000028346201 561914863 /nfs/dbraw/zinc/91/48/63/561914863.db2.gz HLWCECMWACGKLI-UHFFFAOYSA-N 0 3 560.720 5.584 1 0 KKAFHN CS(=O)(=O)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028354119 561916076 /nfs/dbraw/zinc/91/60/76/561916076.db2.gz RJHCQBJFRPKNDM-DQEYMECFSA-N 0 3 550.771 6.122 1 0 KKAFHN Cc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)c(C)c1 ZINC000028373381 561918797 /nfs/dbraw/zinc/91/87/97/561918797.db2.gz OBEXAQOCYJGUKL-VWLOTQADSA-N 0 3 573.669 5.829 1 0 KKAFHN COc1cc2c(cc1OCCCOc1ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028377165 561919454 /nfs/dbraw/zinc/91/94/54/561919454.db2.gz AQHPQTMEIVSAKL-VWLOTQADSA-N 0 3 594.716 5.159 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000028464391 561926005 /nfs/dbraw/zinc/92/60/05/561926005.db2.gz MRFZKAWUCKFKJV-IDZRBWSNSA-N 0 3 607.239 5.343 1 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[C@H]2N)CC1 ZINC000028464418 561926047 /nfs/dbraw/zinc/92/60/47/561926047.db2.gz XLDGDUSCVKLZIR-OJDZSJEKSA-N 0 3 621.266 5.213 1 0 KKAFHN CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC3CCN(C)CC3)c2)cc1 ZINC000028475071 561927714 /nfs/dbraw/zinc/92/77/14/561927714.db2.gz RAYPPCJFDOMLQD-YTTGMZPUSA-N 0 3 539.720 6.098 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000028522914 561929698 /nfs/dbraw/zinc/92/96/98/561929698.db2.gz NMGMJINNEBZSFL-BHVANESWSA-N 0 3 633.839 7.144 1 0 KKAFHN O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028522931 561929719 /nfs/dbraw/zinc/92/97/19/561929719.db2.gz FDCXFDPTGGDPPT-XMMPIXPASA-N 0 3 542.568 6.537 1 0 KKAFHN CN(C)c1ccc(NC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523418 561930107 /nfs/dbraw/zinc/93/01/07/561930107.db2.gz HEEKPFDTRBATOX-GDLZYMKVSA-N 0 3 505.751 5.863 1 0 KKAFHN COc1ccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523905 561930616 /nfs/dbraw/zinc/93/06/16/561930616.db2.gz VGXGGSFQUCVCSE-VWLOTQADSA-N 0 3 504.597 5.527 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000028524034 561930625 /nfs/dbraw/zinc/93/06/25/561930625.db2.gz DVGGLOFQUXYFOW-DHUJRADRSA-N 0 3 619.812 7.221 1 0 KKAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4s3)cs2)cc1 ZINC000028524035 561930628 /nfs/dbraw/zinc/93/06/28/561930628.db2.gz JZQBCQRICLXOOE-HKBQPEDESA-N 0 3 625.841 7.282 1 0 KKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc12 ZINC000028570903 561939147 /nfs/dbraw/zinc/93/91/47/561939147.db2.gz GDFNCIDUFIPIII-UHFFFAOYSA-N 0 3 533.676 6.434 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646338 561945103 /nfs/dbraw/zinc/94/51/03/561945103.db2.gz DRSLEYLXVNRDKA-UUWRZZSWSA-N 0 3 546.750 5.949 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(OC(F)(F)F)c4)C[C@H]23)CC1 ZINC000028572439 561940015 /nfs/dbraw/zinc/94/00/15/561940015.db2.gz IBFYJOJEMNPWGW-AVPJRLCVSA-N 0 3 569.043 5.969 1 0 KKAFHN COc1ccc(C(c2ccc(OC)cc2)=C2C[C@@H](c3ccc(OCCN(C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604465 561940658 /nfs/dbraw/zinc/94/06/58/561940658.db2.gz MDAWDMHTRPPIJM-XIFFEERXSA-N 0 3 551.683 7.136 1 0 KKAFHN CC(C)N1CCN([C@@H](CN2CCN(CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646347 561945149 /nfs/dbraw/zinc/94/51/49/561945149.db2.gz PAVIGVDFHAXYTL-UMSFTDKQSA-N 0 3 546.750 5.949 1 0 KKAFHN CCOc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 ZINC000028646271 561944885 /nfs/dbraw/zinc/94/48/85/561944885.db2.gz SWWNCLLHMVBWRH-UMSFTDKQSA-N 0 3 560.802 6.085 1 0 KKAFHN CC(C)S(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028710028 561950831 /nfs/dbraw/zinc/95/08/31/561950831.db2.gz NMXUKCANMSBQDR-UHFFFAOYSA-N 0 3 545.701 7.052 1 0 KKAFHN CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702809 561947284 /nfs/dbraw/zinc/94/72/84/561947284.db2.gz LIXMBCYLTAANQS-HSZRJFAPSA-N 0 3 627.655 6.602 1 0 KKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1csc(NC(=O)C2CC2)n1 ZINC000028702791 561947288 /nfs/dbraw/zinc/94/72/88/561947288.db2.gz UFCKZCBEBVQNRA-VWLOTQADSA-N 0 3 638.678 7.199 1 0 KKAFHN CCC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702789 561947352 /nfs/dbraw/zinc/94/73/52/561947352.db2.gz WROPXIZGCHYNFR-DEOSSOPVSA-N 0 3 626.667 7.199 1 0 KKAFHN CC(=O)Nc1nc([C@@H](CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702892 561947454 /nfs/dbraw/zinc/94/74/54/561947454.db2.gz GRXIJUNCNWKVJI-GOSISDBHSA-N 0 3 536.542 5.415 1 0 KKAFHN O=C(OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028704231 561948385 /nfs/dbraw/zinc/94/83/85/561948385.db2.gz HQRXYUWJSNZQRQ-VWLOTQADSA-N 0 3 546.133 5.327 1 0 KKAFHN O=C1N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1c1ccccc1 ZINC000028704474 561948590 /nfs/dbraw/zinc/94/85/90/561948590.db2.gz GUMYTXPIUDRCCP-UHFFFAOYSA-N 0 3 509.585 5.015 1 0 KKAFHN O=C(NCCC1CCN(c2ccncc2)CC1)c1nn(Cc2ccccc2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711999 561952626 /nfs/dbraw/zinc/95/26/26/561952626.db2.gz XKMOBUYOBFYMSC-UHFFFAOYSA-N 0 3 621.967 6.031 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000028714036 561954461 /nfs/dbraw/zinc/95/44/61/561954461.db2.gz XCTUDDOOQYANKO-UHFFFAOYSA-N 0 3 558.126 5.920 1 0 KKAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)C(c1ccccc1)c1ccccc1 ZINC000028714013 561954489 /nfs/dbraw/zinc/95/44/89/561954489.db2.gz MZWJNXFFELSNEL-UHFFFAOYSA-N 0 3 556.154 5.646 1 0 KKAFHN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1ccncc1 ZINC000028714102 561954635 /nfs/dbraw/zinc/95/46/35/561954635.db2.gz MGZNEHSJDBFOMJ-WWEBLFKJSA-N 0 3 587.853 5.911 1 0 KKAFHN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1ccccn1 ZINC000028714099 561954693 /nfs/dbraw/zinc/95/46/93/561954693.db2.gz QHJDMNHCYRMBOT-QCVXTWCJSA-N 0 3 587.853 5.911 1 0 KKAFHN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCN(C)Cc1ccccn1 ZINC000028714096 561954711 /nfs/dbraw/zinc/95/47/11/561954711.db2.gz WQIZDPGNODXVFZ-LTGROYGMSA-N 0 3 559.799 5.131 1 0 KKAFHN CC(=O)Nc1cccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4N(CC6CC6)CC[C@]52[C@@]4(O)C3)c1 ZINC000028762894 561958599 /nfs/dbraw/zinc/95/85/99/561958599.db2.gz CNAFKVWPQYKEEW-OGICNVKRSA-N 0 3 561.682 5.053 1 0 KKAFHN O=C(c1ccccc1)N1CCC[C@](CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028764603 561959169 /nfs/dbraw/zinc/95/91/69/561959169.db2.gz ODPRNYGWGVRXIG-XIFFEERXSA-N 0 3 591.583 6.928 1 0 KKAFHN O=C(NC1CCN(CCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1 ZINC000028765529 561959552 /nfs/dbraw/zinc/95/95/52/561959552.db2.gz OPEQUUPNOVNZGO-UHFFFAOYSA-N 0 3 535.610 5.306 1 0 KKAFHN c1ccc(C(CCCCN2CCN(CCCC[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)c2ccccc2)cc1 ZINC000028816376 561964022 /nfs/dbraw/zinc/96/40/22/561964022.db2.gz QHAZNMQKEAZESL-LHEWISCISA-N 0 3 588.836 8.093 1 0 KKAFHN C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1CN1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816394 561964061 /nfs/dbraw/zinc/96/40/61/561964061.db2.gz NGGXTXNCMMOGIG-FHPVIJFVSA-N 0 3 574.809 7.559 1 0 KKAFHN C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1CN1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816385 561964073 /nfs/dbraw/zinc/96/40/73/561964073.db2.gz NGGXTXNCMMOGIG-SHUZPENHSA-N 0 3 574.809 7.559 1 0 KKAFHN O=C(OC[C@H]1CCC[C@@H](c2cc(F)ccc2F)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028816530 561964198 /nfs/dbraw/zinc/96/41/98/561964198.db2.gz XRMGQEUJTZXKOW-YWEHKCAJSA-N 0 3 596.140 5.990 1 0 KKAFHN COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 ZINC000028823438 561968092 /nfs/dbraw/zinc/96/80/92/561968092.db2.gz SXYITQIOONIMPP-UHFFFAOYSA-N 0 3 560.783 6.686 1 0 KKAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)CN2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824386 561969530 /nfs/dbraw/zinc/96/95/30/561969530.db2.gz ITKWRYRBGWDEBC-HSZRJFAPSA-N 0 3 636.737 5.481 1 0 KKAFHN O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000028879331 561976278 /nfs/dbraw/zinc/97/62/78/561976278.db2.gz OQRTUCNCZGBLPM-WDYNHAJCSA-N 0 3 622.178 6.522 1 0 KKAFHN O=C(c1cc2c3ccccc3n(C[C@@H]3CCNC[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCC(O)CC1 ZINC000028889715 561978162 /nfs/dbraw/zinc/97/81/62/561978162.db2.gz JQMKEKBWODEOQN-SIBVEZHUSA-N 0 3 536.047 5.785 1 0 KKAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(C3=CCN(CC(C)C)CC3)n2)s1 ZINC000028961183 561984098 /nfs/dbraw/zinc/98/40/98/561984098.db2.gz JHEUFKXLXSJPHC-UHFFFAOYSA-N 0 3 567.637 7.268 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4noc(C(C)(C)C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062212 561995863 /nfs/dbraw/zinc/99/58/63/561995863.db2.gz OVRPSSWJEBYDJJ-NDEPHWFRSA-N 0 3 575.754 5.979 1 0 KKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4csc(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062383 561996071 /nfs/dbraw/zinc/99/60/71/561996071.db2.gz SFTBDBTVPUYAQX-GDLZYMKVSA-N 0 3 548.753 6.064 1 0 KKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cn4ccnc4C)c3=O)CC2)C(C)C)c1 ZINC000029063577 561996319 /nfs/dbraw/zinc/99/63/19/561996319.db2.gz ULSQCYSSRBVLAT-LJAQVGFWSA-N 0 3 531.701 5.261 1 0 KKAFHN O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000029125544 561997683 /nfs/dbraw/zinc/99/76/83/561997683.db2.gz XAEHXABFPFOOEW-UHFFFAOYSA-N 0 3 527.086 5.269 1 0 KKAFHN O=C1Nc2ccccc2[C@]12N1CCC[C@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126963 561999284 /nfs/dbraw/zinc/99/92/84/561999284.db2.gz IZTNHWMAUPLTML-POZRDHEVSA-N 0 3 510.037 5.676 1 0 KKAFHN O=C1[N-]C(=O)c2c1c1c3cc(O)c(CCCC[NH+]4CCCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127505 561999905 /nfs/dbraw/zinc/99/99/05/561999905.db2.gz YPVLFOPHFIUYRU-UHFFFAOYSA-N 0 3 532.040 5.115 1 0 KKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)Cc4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130305 562002403 /nfs/dbraw/zinc/00/24/03/562002403.db2.gz YWZCKVAHVJWALI-UHFFFAOYSA-N 0 3 582.647 6.498 1 0 KKAFHN COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3cccc(-c4ccccc4)c3)c2c1 ZINC000029133286 562003546 /nfs/dbraw/zinc/00/35/46/562003546.db2.gz LGSFNRNTFPEYSX-HKBQPEDESA-N 0 3 511.666 6.788 1 0 KKAFHN COc1cc(C(=O)N2CCOC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029400137 562019623 /nfs/dbraw/zinc/01/96/23/562019623.db2.gz RWSBBXFLRGQFQP-GMXZTLEESA-N 0 3 673.659 6.031 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(CCCN2CCSCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029412282 562022052 /nfs/dbraw/zinc/02/20/52/562022052.db2.gz NQCMSKALNPHQKN-VCPMIQRASA-N 0 3 687.947 5.488 1 0 KKAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029412996 562022318 /nfs/dbraw/zinc/02/23/18/562022318.db2.gz GETGSYUVNAQKQG-LMRQRCQZSA-N 0 3 671.879 5.372 1 0 KKAFHN CCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029471431 562025713 /nfs/dbraw/zinc/02/57/13/562025713.db2.gz KFEBXGXDHOMHPW-UHFFFAOYSA-N 0 3 573.203 8.376 1 0 KKAFHN CCc1sc(CCc2cc(O[C@@H](C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029473643 562025988 /nfs/dbraw/zinc/02/59/88/562025988.db2.gz ZVDPFDLAGLHKAY-SFHVURJKSA-N 0 3 561.148 6.830 1 0 KKAFHN CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029474187 562026060 /nfs/dbraw/zinc/02/60/60/562026060.db2.gz KTOVLQSGAUAGBK-UHFFFAOYSA-N 0 3 608.208 7.823 1 0 KKAFHN CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](CCCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc21 ZINC000029545107 562029586 /nfs/dbraw/zinc/02/95/86/562029586.db2.gz GPOHXSRIYHKDDY-MUUNZHRXSA-N 0 3 600.612 5.815 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)CCC3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029555097 562031963 /nfs/dbraw/zinc/03/19/63/562031963.db2.gz XYVHGSPNHFSKDW-SSEXGKCCSA-N 0 3 532.706 5.773 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2cc(OC)cc(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556629 562032225 /nfs/dbraw/zinc/03/22/25/562032225.db2.gz DYHQEOVEHIOOKX-LJAQVGFWSA-N 0 3 552.693 5.302 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@]2(C(C)C)Sc3ccccc3N(C)C2=O)c1 ZINC000029559037 562032642 /nfs/dbraw/zinc/03/26/42/562032642.db2.gz IKLCHMLRANLYKN-JGCGQSQUSA-N 0 3 578.731 5.824 1 0 KKAFHN COc1ccc(C(=O)Oc2ccc(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000029562013 562033487 /nfs/dbraw/zinc/03/34/87/562033487.db2.gz LNZSZWDBBNEULS-UHFFFAOYSA-N 0 3 578.688 6.571 1 0 KKAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=S)c1 ZINC000029563584 562033791 /nfs/dbraw/zinc/03/37/91/562033791.db2.gz HFVUTJSHZQSUHO-NDEPHWFRSA-N 0 3 552.718 5.814 1 0 KKAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(C(F)(F)F)cc4)nc3n2)CC1 ZINC000029565018 562034189 /nfs/dbraw/zinc/03/41/89/562034189.db2.gz PFCYMLKAPXNHFU-UHFFFAOYSA-N 0 3 633.506 6.711 1 0 KKAFHN Cn1c(Nc2ccc(C(C)(C)C)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 ZINC000034983162 562044187 /nfs/dbraw/zinc/04/41/87/562044187.db2.gz JSLFPRZIKITLJX-UHFFFAOYSA-N 0 3 506.532 7.211 1 0 KKAFHN Clc1cccc(N2CCN(CCCn3c4ccccc4c4c3CN(CCc3ccccn3)CC4)CC2)c1 ZINC000036093031 562047011 /nfs/dbraw/zinc/04/70/11/562047011.db2.gz LHEHOKKOUQZWGF-UHFFFAOYSA-N 0 3 514.117 5.503 1 0 KKAFHN C[C@@H]1CC(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000036126805 562047720 /nfs/dbraw/zinc/04/77/20/562047720.db2.gz OUUFVLURDMTSII-SEXOINJZSA-N 0 3 507.078 6.009 1 0 KKAFHN CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160542 562048537 /nfs/dbraw/zinc/04/85/37/562048537.db2.gz VTGXHIKOJDKECN-ZQWAWDFXSA-N 0 3 610.843 7.833 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285430 562054055 /nfs/dbraw/zinc/05/40/55/562054055.db2.gz DCXQILJCXFVJDJ-QFIPXVFZSA-N 0 3 516.435 6.340 1 0 KKAFHN COCCN[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285454 562054257 /nfs/dbraw/zinc/05/42/57/562054257.db2.gz SKULFSWLBZAOSU-VWLOTQADSA-N 0 3 574.515 6.617 1 0 KKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285885 562054493 /nfs/dbraw/zinc/05/44/93/562054493.db2.gz LHBCSPYLZWEXEG-HXOBKFHXSA-N 0 3 530.462 6.586 1 0 KKAFHN Cc1ccccc1NC(=O)N(C)Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1 ZINC000036338842 562057206 /nfs/dbraw/zinc/05/72/06/562057206.db2.gz DTQAVOXWSGVMDD-UHFFFAOYSA-N 0 3 526.710 5.429 1 0 KKAFHN Cc1ccccc1NC(=O)N(C)Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1 ZINC000036338842 562057208 /nfs/dbraw/zinc/05/72/08/562057208.db2.gz DTQAVOXWSGVMDD-UHFFFAOYSA-N 0 3 526.710 5.429 1 0 KKAFHN Cc1cccc(NC(=O)NCc2cc(-c3n[nH]c4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)cs2)c1 ZINC000036338820 562057341 /nfs/dbraw/zinc/05/73/41/562057341.db2.gz FGUXNWBQWGWWLI-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1cccc(NC(=O)NCc2cc(-c3[nH]nc4c3Cc3ccc(CN5CCN(C)CC5)cc3-4)cs2)c1 ZINC000036338820 562057343 /nfs/dbraw/zinc/05/73/43/562057343.db2.gz FGUXNWBQWGWWLI-UHFFFAOYSA-N 0 3 512.683 5.087 1 0 KKAFHN Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)CC(C)C)c1 ZINC000036338850 562057392 /nfs/dbraw/zinc/05/73/92/562057392.db2.gz CODNFAROPXKNHK-UHFFFAOYSA-N 0 3 568.791 6.455 1 0 KKAFHN Cc1cccc(NC(=O)N(Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)CC(C)C)c1 ZINC000036338850 562057393 /nfs/dbraw/zinc/05/73/93/562057393.db2.gz CODNFAROPXKNHK-UHFFFAOYSA-N 0 3 568.791 6.455 1 0 KKAFHN CCC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351622 562058855 /nfs/dbraw/zinc/05/88/55/562058855.db2.gz BDVXIJYOMPKSRZ-UCVANPEUSA-N 0 3 556.126 5.419 1 0 KKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C ZINC000036351771 562059237 /nfs/dbraw/zinc/05/92/37/562059237.db2.gz NOHYKQAGOKRKCR-UHFFFAOYSA-N 0 3 548.687 7.232 1 0 KKAFHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1 ZINC000038149718 562066238 /nfs/dbraw/zinc/06/62/38/562066238.db2.gz AADSFGMHGXEQDC-JOCHJYFZSA-N 0 3 593.130 5.286 1 0 KKAFHN CC(C)CCN1CC[C@@H](C(C)C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150636 562066313 /nfs/dbraw/zinc/06/63/13/562066313.db2.gz RGFNFGSQVBRRIT-CCNCKIRNSA-N 0 3 564.767 6.058 1 0 KKAFHN CC(C)CCN1CC[C@H](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150652 562066456 /nfs/dbraw/zinc/06/64/56/562066456.db2.gz GRZGPYMYCGWTKZ-RNCAPKPVSA-N 0 3 536.713 5.421 1 0 KKAFHN CC(C)CCN1CCC[C@H](C)[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150649 562066468 /nfs/dbraw/zinc/06/64/68/562066468.db2.gz SIZIBPAHPIUMOL-RNCAPKPVSA-N 0 3 536.713 5.421 1 0 KKAFHN CCN(C(=O)C(C)(C)c1ccccc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380429 562073438 /nfs/dbraw/zinc/07/34/38/562073438.db2.gz HUSIYLIXVFOCGJ-GIGWZHCTSA-N 0 3 503.731 5.713 1 0 KKAFHN C[C@H](O)CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395450 562074425 /nfs/dbraw/zinc/07/44/25/562074425.db2.gz RKTACIMPZTWTHT-AVKCZOBUSA-N 0 3 523.504 6.145 1 0 KKAFHN CNC(=O)Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040504838 562077628 /nfs/dbraw/zinc/07/76/28/562077628.db2.gz GQCCOGCEQBQUAD-UHFFFAOYSA-N 0 3 509.597 5.133 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040505277 562077668 /nfs/dbraw/zinc/07/76/68/562077668.db2.gz JNALAIQAJMAAIL-UHFFFAOYSA-N 0 3 523.620 5.983 1 0 KKAFHN Cc1ccc(NC(=O)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000040584943 562078405 /nfs/dbraw/zinc/07/84/05/562078405.db2.gz VOVWYRPVUVLZTL-UKTHLTGXSA-N 0 3 517.501 5.841 1 0 KKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@](O)(Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040817944 562079845 /nfs/dbraw/zinc/07/98/45/562079845.db2.gz HZHVNKHPWFQMOV-WJOKGBTCSA-N 0 3 523.620 5.787 1 0 KKAFHN CN1CCN(Cc2ccc(Nc3nc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)cc2)CC1 ZINC000042805350 562089193 /nfs/dbraw/zinc/08/91/93/562089193.db2.gz ANGBZYNNANAOBU-UHFFFAOYSA-N 0 3 590.128 6.692 1 0 KKAFHN Cc1ccccc1-c1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)c1 ZINC000040953874 562086395 /nfs/dbraw/zinc/08/63/95/562086395.db2.gz QQZNFBADZFMIHT-UHFFFAOYSA-N 0 3 524.684 7.097 1 0 KKAFHN O=C(c1ccco1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000042805082 562088991 /nfs/dbraw/zinc/08/89/91/562088991.db2.gz FVVHYUGPXSRXAE-UHFFFAOYSA-N 0 3 597.543 5.163 1 0 KKAFHN CCNCOc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567555 560070389 /nfs/dbraw/zinc/07/03/89/560070389.db2.gz YFHKZSRMJDYNGW-WYOOIXGGSA-N 0 3 588.701 5.577 1 0 biogenic,in-vitro KKAFHN CCNCOc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO3 ZINC000085567611 560070393 /nfs/dbraw/zinc/07/03/93/560070393.db2.gz XLKAGNUCJVEPSX-IEWVHIKDSA-N 0 3 561.675 5.652 1 0 biogenic,in-vitro KKAFHN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000043064722 562645320 /nfs/dbraw/zinc/64/53/20/562645320.db2.gz MYXKMTKFUPOTOZ-YTTGMZPUSA-N 0 3 630.899 5.804 1 0 KKAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000043066482 562645338 /nfs/dbraw/zinc/64/53/38/562645338.db2.gz AVXNZTZDFIBZSK-PMERELPUSA-N 0 3 567.055 7.052 1 0 KKAFHN Cc1nccn1C[C@@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043070419 562645531 /nfs/dbraw/zinc/64/55/31/562645531.db2.gz DSZJLBHBEBATRS-GDLZYMKVSA-N 0 3 549.641 6.161 1 0 KKAFHN N=C1Nc2cc(F)c3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000043171643 562646570 /nfs/dbraw/zinc/64/65/70/562646570.db2.gz MEJGMIGRSQIMGB-LJAQVGFWSA-N 0 3 532.704 6.826 1 0 KKAFHN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043397010 562648177 /nfs/dbraw/zinc/64/81/77/562648177.db2.gz HBQUUZVSFQDTPW-HKBQPEDESA-N 0 3 555.744 6.949 1 0 KKAFHN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(C(=O)NCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043649791 562650664 /nfs/dbraw/zinc/65/06/64/562650664.db2.gz WMFMRACDWIKGGN-ZDOIZPDXSA-N 0 3 500.812 6.437 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000044031779 562651611 /nfs/dbraw/zinc/65/16/11/562651611.db2.gz XXFVLRQBOFTRPY-YRNVUSSQSA-N 0 3 586.391 7.230 1 0 KKAFHN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000044359466 562655494 /nfs/dbraw/zinc/65/54/94/562655494.db2.gz XFIZOCZCSYHAMP-UHFFFAOYSA-N 0 3 606.554 6.419 1 0 KKAFHN CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044361139 562655710 /nfs/dbraw/zinc/65/57/10/562655710.db2.gz KTAGYIIOIMNXTN-UHFFFAOYSA-N 0 3 537.535 5.785 1 0 KKAFHN NC(=O)C1(c2ccc(OC(F)(F)F)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000044404547 562656456 /nfs/dbraw/zinc/65/64/56/562656456.db2.gz RDTPBXFTWBKENH-WEWIIKPSSA-N 0 3 549.420 7.032 1 0 KKAFHN Cc1ccc(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1OCCN1CCCC1 ZINC000045167712 562658094 /nfs/dbraw/zinc/65/80/94/562658094.db2.gz MJBBMDAKKVTGTK-UHFFFAOYSA-N 0 3 508.449 7.177 1 0 KKAFHN CN1CCN(Cc2cccc(-c3ccc4c(c3)nccc4Nc3ccc(Oc4cccnc4)cc3)c2)CC1 ZINC000045201192 562658985 /nfs/dbraw/zinc/65/89/85/562658985.db2.gz ZULNNQCAJIIMNP-UHFFFAOYSA-N 0 3 501.634 6.580 1 0 KKAFHN CS(=O)(=O)CCNCc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000045201244 562659004 /nfs/dbraw/zinc/65/90/04/562659004.db2.gz LSXDEHPAPIIKDD-UHFFFAOYSA-N 0 3 523.658 6.572 1 0 KKAFHN CCc1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045201274 562659026 /nfs/dbraw/zinc/65/90/26/562659026.db2.gz OSSGLTHBABCNRV-UHFFFAOYSA-N 0 3 519.089 5.487 1 0 KKAFHN CCCCCN1CCCC[C@@H](NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000045210386 562659273 /nfs/dbraw/zinc/65/92/73/562659273.db2.gz LAADWCKHEFLRPP-JOCHJYFZSA-N 0 3 511.610 5.281 1 0 KKAFHN O=C(Nc1cccc(F)c1)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000045229948 562659598 /nfs/dbraw/zinc/65/95/98/562659598.db2.gz UMVQRVFLSLPAEH-BDTNDASRSA-N 0 3 521.464 5.419 1 0 KKAFHN CNC(=O)NC1CCN(Cc2c(-c3cccs3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000045301636 562660539 /nfs/dbraw/zinc/66/05/39/562660539.db2.gz AOISWWKEWHSPFF-FQEVSTJZSA-N 0 3 533.742 5.555 1 0 KKAFHN Cc1ccc(NC(=O)N2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000045302215 562660581 /nfs/dbraw/zinc/66/05/81/562660581.db2.gz GWPHXQKLCCCAPJ-FMIVXFBMSA-N 0 3 531.528 6.150 1 0 KKAFHN O=S(=O)([N-]c1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045302177 562660610 /nfs/dbraw/zinc/66/06/10/562660610.db2.gz VOUSMHMYYCKHSK-UHFFFAOYSA-N 0 3 519.711 5.773 1 0 KKAFHN CC(C)N1CCN([C@H](CN2CCN(CCCOc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000045302504 562660637 /nfs/dbraw/zinc/66/06/37/562660637.db2.gz NJMRBFHKXPEDSH-UUWRZZSWSA-N 0 3 544.759 5.647 1 0 KKAFHN CSc1ccc2c(c1)[C@@H](OCCN1CCC(O)(c3ccc(Cl)cc3)CC1)Cc1ccccc1S2 ZINC000045338282 562661479 /nfs/dbraw/zinc/66/14/79/562661479.db2.gz WDOGWXUNKBXJDV-VWLOTQADSA-N 0 3 512.140 6.811 1 0 KKAFHN CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCN3CCCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045373420 562662277 /nfs/dbraw/zinc/66/22/77/562662277.db2.gz JRXCTWLCXFMYNA-UHFFFAOYSA-N 0 3 515.654 5.369 1 0 KKAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C(=C/c4ccc(Cl)cc4Cl)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000048307329 562662914 /nfs/dbraw/zinc/66/29/14/562662914.db2.gz BESVQLANLXKVAK-KOHQIRCGSA-N 0 3 652.622 8.072 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@@H+]2CCCC[C@H]2CCN2CCCC2)c1 ZINC000048307334 562662944 /nfs/dbraw/zinc/66/29/44/562662944.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 0 3 546.202 6.547 1 0 KKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@H+]2CCCC[C@H]2CCN2CCCC2)c1 ZINC000048307334 562662945 /nfs/dbraw/zinc/66/29/45/562662945.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 0 3 546.202 6.547 1 0 KKAFHN O=C(Cc1cccs1)N[C@H](CCCN1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307390 562663047 /nfs/dbraw/zinc/66/30/47/562663047.db2.gz CDYMPJXDLURXRZ-AREMUKBSSA-N 0 3 551.967 7.432 1 0 KKAFHN CCCC[C@@H]1N(Cc2ccccc2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016921 562663263 /nfs/dbraw/zinc/66/32/63/562663263.db2.gz OVAAQBKFWMSBDM-NDEPHWFRSA-N 0 3 517.714 5.954 1 0 KKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)n1 ZINC000049032727 562663359 /nfs/dbraw/zinc/66/33/59/562663359.db2.gz AWJOAMPQOUEKCN-KDYSTLNUSA-N 0 3 523.628 6.113 1 0 KKAFHN Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3C)ccc1-c1ccnc2c(-c3ccc(F)c([O-])c3)c(-c3ccncc3)nn21 ZINC000049034354 562663503 /nfs/dbraw/zinc/66/35/03/562663503.db2.gz FBURAFZZOWGKPS-GOTSBHOMSA-N 0 3 506.585 5.171 1 0 KKAFHN Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3C)ccc1-c1ccnc2c(-c3ccc(F)c([O-])c3)c(-c3ccncc3)nn21 ZINC000049034354 562663504 /nfs/dbraw/zinc/66/35/04/562663504.db2.gz FBURAFZZOWGKPS-GOTSBHOMSA-N 0 3 506.585 5.171 1 0 KKAFHN CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049089954 562664462 /nfs/dbraw/zinc/66/44/62/562664462.db2.gz KZOTYEIWOWOSFS-UHFFFAOYSA-N 0 3 503.012 7.177 1 0 KKAFHN O=c1cc(NCC[C@@H](CNCc2ccoc2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605183 562665484 /nfs/dbraw/zinc/66/54/84/562665484.db2.gz QHBVPWFGGHOXDI-NRFANRHFSA-N 0 3 574.317 5.396 1 0 KKAFHN C[C@@H](NC(=O)N[C@@H](CCN1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049605330 562665701 /nfs/dbraw/zinc/66/57/01/562665701.db2.gz NDYVWXJQHKOLHR-DFHRPNOPSA-N 0 3 615.627 6.298 1 0 KKAFHN O=C(NCCCCN1CC=C(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605404 562665834 /nfs/dbraw/zinc/66/58/34/562665834.db2.gz RDFLMJLBUTUTTJ-UHFFFAOYSA-N 0 3 602.741 8.339 1 0 KKAFHN CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000049605475 562665884 /nfs/dbraw/zinc/66/58/84/562665884.db2.gz VOXGIJYTPWQGSV-LHEWISCISA-N 0 3 669.847 6.351 1 0 KKAFHN CN1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605513 562665953 /nfs/dbraw/zinc/66/59/53/562665953.db2.gz PJAMXJVRLYFNKT-UHFFFAOYSA-N 0 3 640.174 7.508 1 0 KKAFHN O=C(N[C@H]1C[C@@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605735 562666288 /nfs/dbraw/zinc/66/62/88/562666288.db2.gz UPECNCZLZOVUOM-ZWXJPIIXSA-N 0 3 576.770 6.454 1 0 KKAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4c(c3)OCO4)c2)CC1 ZINC000049605926 562666433 /nfs/dbraw/zinc/66/64/33/562666433.db2.gz GIZGRLHRWPQQSV-UHFFFAOYSA-N 0 3 696.668 5.330 1 0 KKAFHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)C(C)(C)C)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049613940 562666478 /nfs/dbraw/zinc/66/64/78/562666478.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 0 3 692.853 8.105 1 0 KKAFHN CC(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3ccccc3c(=O)nc2SCc2cccc(F)c2F)CC1 ZINC000049625509 562666761 /nfs/dbraw/zinc/66/67/61/562666761.db2.gz YJXSGTOJRUFPNA-UHFFFAOYSA-N 0 3 720.808 8.554 1 0 KKAFHN CS(=O)(=O)c1ccc(CNCc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)cc1 ZINC000049625858 562666869 /nfs/dbraw/zinc/66/68/69/562666869.db2.gz ROZDJEIFFBNNNA-UHFFFAOYSA-N 0 3 535.591 6.609 1 0 KKAFHN CC(C)(C)C(=O)Oc1ccc(C[C@H]2NCCc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)cc1OC(=O)C(C)(C)C ZINC000049626262 562667105 /nfs/dbraw/zinc/66/71/05/562667105.db2.gz ZLQIOUWNDPAURR-XMMPIXPASA-N 0 3 623.787 6.922 1 0 KKAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)CN2CCCC2)ccc1OCCN1CCCC1 ZINC000049639131 562667655 /nfs/dbraw/zinc/66/76/55/562667655.db2.gz DXFUBCYACWLMEY-UHFFFAOYSA-N 0 3 583.154 5.838 1 0 KKAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)cc(S(=O)(=O)c2ccccc2)c1 ZINC000049650042 562668011 /nfs/dbraw/zinc/66/80/11/562668011.db2.gz SUHUZGDMCOOSBZ-MPQUPPDSSA-N 0 3 707.840 5.560 1 0 KKAFHN CN1CCN(CCCOc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049694945 562669972 /nfs/dbraw/zinc/66/99/72/562669972.db2.gz DTOKHNAODOAINH-UHFFFAOYSA-N 0 3 587.750 6.162 1 0 KKAFHN C[C@H]1C[C@@H](N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CCN1Cc1ccc(Cl)cc1 ZINC000049695105 562670199 /nfs/dbraw/zinc/67/01/99/562670199.db2.gz PRPPWWOPQVJUNZ-CPJSRVTESA-N 0 3 621.440 6.800 1 0 KKAFHN COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC ZINC000049695130 562670235 /nfs/dbraw/zinc/67/02/35/562670235.db2.gz OALICVBQMFNIMZ-MUUNZHRXSA-N 0 3 638.856 5.238 1 0 KKAFHN CN1CCN(CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2Cc2ccccc2)CC1 ZINC000049710286 562671627 /nfs/dbraw/zinc/67/16/27/562671627.db2.gz CULCANJXXJMRLI-UHFFFAOYSA-N 0 3 578.601 6.991 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2ccc(F)c(F)c2)cc(=O)c2ccccc21 ZINC000049710765 562671778 /nfs/dbraw/zinc/67/17/78/562671778.db2.gz NMXPQYSZNQDZBG-UHFFFAOYSA-N 0 3 675.742 8.121 1 0 KKAFHN CN1CCN(CCCSc2ccc3c(c2)ncn3-c2cc(OCc3ccccc3C(F)(F)F)c(C(N)=O)s2)CC1 ZINC000049722649 562672314 /nfs/dbraw/zinc/67/23/14/562672314.db2.gz NFGXQLQAGRDMGZ-UHFFFAOYSA-N 0 3 589.709 5.513 1 0 KKAFHN CCN1CCc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCCS1(=O)=O ZINC000049722642 562672342 /nfs/dbraw/zinc/67/23/42/562672342.db2.gz NCUYYSNGBQJJQA-BHDXBOSCSA-N 0 3 672.814 5.245 1 0 KKAFHN C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722691 562672355 /nfs/dbraw/zinc/67/23/55/562672355.db2.gz WMOFZJZCOQWBCG-GJZUVCINSA-N 0 3 546.539 6.035 1 0 KKAFHN C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722691 562672356 /nfs/dbraw/zinc/67/23/56/562672356.db2.gz WMOFZJZCOQWBCG-GJZUVCINSA-N 0 3 546.539 6.035 1 0 KKAFHN Cn1nccc1C(=O)NCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000049722683 562672408 /nfs/dbraw/zinc/67/24/08/562672408.db2.gz ZXDZRWVVWOZSKJ-UHFFFAOYSA-N 0 3 524.572 5.230 1 0 KKAFHN CCOc1ccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c(OCC2CC2)c1 ZINC000049723074 562672928 /nfs/dbraw/zinc/67/29/28/562672928.db2.gz KFNCBVSVZGMARL-UHFFFAOYSA-N 0 3 649.798 7.634 1 0 KKAFHN Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CN[C@H](C)c1cccc(C(C)C)c1)NC2=O ZINC000049756864 562675293 /nfs/dbraw/zinc/67/52/93/562675293.db2.gz WRDFTFAHALVDPT-GOQOSDJISA-N 0 3 531.697 5.118 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000049757145 562675612 /nfs/dbraw/zinc/67/56/12/562675612.db2.gz WMBJPWPAQLGSFL-UHFFFAOYSA-N 0 3 575.138 6.328 1 0 KKAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCN2CCN(C)CC2)ncn1 ZINC000049775547 562679126 /nfs/dbraw/zinc/67/91/26/562679126.db2.gz YGTYIGUWQYTZMS-UHFFFAOYSA-N 0 3 643.718 6.188 1 0 KKAFHN O=C(NCc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000049777667 562680380 /nfs/dbraw/zinc/68/03/80/562680380.db2.gz FKOKZCUPUHUZFP-UHFFFAOYSA-N 0 3 565.636 6.099 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000049777795 562680532 /nfs/dbraw/zinc/68/05/32/562680532.db2.gz BMGSGSGMLBHZCA-RZBOESAMSA-N 0 3 556.531 5.123 1 0 KKAFHN COCCOc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781151 562682726 /nfs/dbraw/zinc/68/27/26/562682726.db2.gz OSMJTLDDZBOMDZ-RUZDIDTESA-N 0 3 634.044 7.301 1 0 KKAFHN CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cc4nccc(Oc5ccc(NC(=O)c6cnn(-c7ccccc7)c6C(F)(F)F)cc5F)c4s3)cc2)C1 ZINC000049783917 562683315 /nfs/dbraw/zinc/68/33/15/562683315.db2.gz LOYACYJWFBZPCW-SANMLTNESA-N 0 3 714.745 8.128 1 0 KKAFHN CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4C)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049792475 562684399 /nfs/dbraw/zinc/68/43/99/562684399.db2.gz LLGYBOCRDSLEKE-UHFFFAOYSA-N 0 3 569.713 7.794 1 0 KKAFHN O=C(Nc1cccc(-c2ccnc3c(-c4coc(CN5CCCC5)c4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049792917 562684554 /nfs/dbraw/zinc/68/45/54/562684554.db2.gz UXWQKBQYLIAPJN-UHFFFAOYSA-N 0 3 531.538 6.523 1 0 KKAFHN COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C(C)(C)CNC2)C2CC2)c1C ZINC000049793203 562684625 /nfs/dbraw/zinc/68/46/25/562684625.db2.gz CAKYRTNLEUINCX-UHFFFAOYSA-N 0 3 609.157 7.521 1 0 KKAFHN O=C1NCN(c2ccccc2)C12CCN(CCOC1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)CC1)CC2 ZINC000049833566 562687857 /nfs/dbraw/zinc/68/78/57/562687857.db2.gz IMAJGQONDPJLSO-UHFFFAOYSA-N 0 3 643.637 5.119 1 0 KKAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000049841541 562688486 /nfs/dbraw/zinc/68/84/86/562688486.db2.gz WDTJXSRPRRUIIV-UHFFFAOYSA-N 0 3 644.728 6.144 1 0 KKAFHN FC(F)(F)c1cccc(CN(CCCOc2n[nH]c3ccccc32)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000049867477 562689522 /nfs/dbraw/zinc/68/95/22/562689522.db2.gz JFYYICQUPIPHLA-UHFFFAOYSA-N 0 3 564.051 8.338 1 0 KKAFHN CC(C)(C)OC(=O)N1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049881617 562690947 /nfs/dbraw/zinc/69/09/47/562690947.db2.gz OWURYQDBCNDEQC-UHFFFAOYSA-N 0 3 587.592 7.022 1 0 KKAFHN CN(C)CCOc1cc(NC(=O)Nc2cccc3c(-c4ccncc4)cccc23)ccc1I ZINC000049917524 562693508 /nfs/dbraw/zinc/69/35/08/562693508.db2.gz GBAFVMGMCSYHLS-UHFFFAOYSA-N 0 3 552.416 6.091 1 0 KKAFHN CC1(C)CNCC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 ZINC000049916711 562693512 /nfs/dbraw/zinc/69/35/12/562693512.db2.gz NHKGQZOIJVMGNE-UHFFFAOYSA-N 0 3 633.994 8.511 1 0 KKAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(N(C)C)c2)ccc1OCCN1CCCC1 ZINC000049917647 562693691 /nfs/dbraw/zinc/69/36/91/562693691.db2.gz CLSDIUXEPKQVBJ-UHFFFAOYSA-N 0 3 619.187 7.122 1 0 KKAFHN CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2nc(C)c(=O)cc2SCc2ccc(F)cc2)CC1 ZINC000049917840 562693978 /nfs/dbraw/zinc/69/39/78/562693978.db2.gz DDPCCRCCVGWFBI-UHFFFAOYSA-N 0 3 652.758 7.182 1 0 KKAFHN C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)N1 ZINC000049917862 562694030 /nfs/dbraw/zinc/69/40/30/562694030.db2.gz GRBGQMNUHSAYID-NHCUHLMSSA-N 0 3 577.655 5.716 1 0 KKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049917907 562694126 /nfs/dbraw/zinc/69/41/26/562694126.db2.gz LROQIJZEUPRJEP-AWGFCZPBSA-N 0 3 557.444 6.208 1 0 KKAFHN O=C(N[C@@H](CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049917924 562694128 /nfs/dbraw/zinc/69/41/28/562694128.db2.gz CXAAWZIHSALWCA-SANMLTNESA-N 0 3 544.910 6.402 1 0 KKAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000049917938 562694191 /nfs/dbraw/zinc/69/41/91/562694191.db2.gz OVOQKPVGHPMAAO-OAQYLSRUSA-N 0 3 531.600 5.148 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)s2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049917952 562694229 /nfs/dbraw/zinc/69/42/29/562694229.db2.gz GJIRWCURZZHBRK-UHFFFAOYSA-N 0 3 682.759 7.578 1 0 KKAFHN COc1cc(CNc2cc(OCCOc3ccc(Cl)cc3)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)ccc1OCc1ccccc1 ZINC000049917999 562694243 /nfs/dbraw/zinc/69/42/43/562694243.db2.gz RSODAQJHXOABTM-UHFFFAOYSA-N 0 3 706.283 8.392 1 0 KKAFHN CCc1ccc(CN2CCC(CN(c3ccc(N4CCOCC4)c(F)c3)S(=O)(=O)c3ccc(C(C)(C)CC)cc3)CC2)cc1 ZINC000049918162 562694536 /nfs/dbraw/zinc/69/45/36/562694536.db2.gz MBBFGZKRIBUEFY-UHFFFAOYSA-N 0 3 621.863 7.020 1 0 KKAFHN COc1cc2c(cc1OC)[C@H](CCc1cc(F)ccc1F)N(CCNC(=O)Nc1cc(C)nc3ccccc31)CC2 ZINC000052956353 562695991 /nfs/dbraw/zinc/69/59/91/562695991.db2.gz QOASOYQYNFSWQE-LJAQVGFWSA-N 0 3 560.645 6.192 1 0 KKAFHN CCn1nc(C2CCN(C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1Cc1ccccc1 ZINC000053132157 562696312 /nfs/dbraw/zinc/69/63/12/562696312.db2.gz ILBDFKGQNFCVSY-LWKLBADKSA-N 0 3 568.806 6.422 1 0 KKAFHN CCn1nc(C2CCN(C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1Cc1ccccc1 ZINC000053132157 562696313 /nfs/dbraw/zinc/69/63/13/562696313.db2.gz ILBDFKGQNFCVSY-LWKLBADKSA-N 0 3 568.806 6.422 1 0 KKAFHN COCC/C(SC(=O)c1cccnc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1cccnc1 ZINC000058547984 562699072 /nfs/dbraw/zinc/69/90/72/562699072.db2.gz KABUOXCFTWUMDM-XGHKFRFXSA-N 0 3 727.006 8.277 1 0 KKAFHN COCC/C(SC(=O)CCC(C)=O)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)CCC(C)=O ZINC000058547767 562699090 /nfs/dbraw/zinc/69/90/90/562699090.db2.gz QIZYOZZDCNRAAQ-WANSBIPISA-N 0 3 713.016 7.598 1 0 KKAFHN CCCn1c(C)c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1cccnc1 ZINC000058583702 562700164 /nfs/dbraw/zinc/70/01/64/562700164.db2.gz ITUYJHFAFVQOOR-UHFFFAOYSA-N 0 3 514.501 5.517 1 0 KKAFHN O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058609283 562701023 /nfs/dbraw/zinc/70/10/23/562701023.db2.gz ZTGKKBRUYNYCNY-GBESFXJTSA-N 0 3 572.364 6.586 1 0 KKAFHN COC(=O)c1cccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000059796528 562702352 /nfs/dbraw/zinc/70/23/52/562702352.db2.gz MMKSWHUGCQHRDI-FSOZDLKISA-N 0 3 500.642 6.557 3 0 KKAFHN COC(=O)c1cccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000059796529 562702357 /nfs/dbraw/zinc/70/23/57/562702357.db2.gz MMKSWHUGCQHRDI-OETVIHDQSA-N 0 3 500.642 6.557 3 0 KKAFHN O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895480 562702845 /nfs/dbraw/zinc/70/28/45/562702845.db2.gz VLVPEVZFRKIYSM-UUWRZZSWSA-N 0 3 527.668 7.145 3 0 KKAFHN Cc1cccnc1[C@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1 ZINC000061895544 562702847 /nfs/dbraw/zinc/70/28/47/562702847.db2.gz FRDBUCBHBQKYBK-WJOKGBTCSA-N 0 3 509.625 6.439 3 0 KKAFHN O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000061903573 562702950 /nfs/dbraw/zinc/70/29/50/562702950.db2.gz WRGNBMQDYUXXJC-SSEXGKCCSA-N 0 3 510.613 5.279 3 0 KKAFHN O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(CCCOc2ccccc2)CC1 ZINC000061903104 562702997 /nfs/dbraw/zinc/70/29/97/562702997.db2.gz YIBWFLHBLUUTEL-WJOKGBTCSA-N 0 3 506.650 5.530 3 0 KKAFHN CCOc1cc(CN2CCC[C@@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000062213081 562704420 /nfs/dbraw/zinc/70/44/20/562704420.db2.gz XOKQXPCDCRWFMF-AREMUKBSSA-N 0 3 505.634 5.778 1 0 KKAFHN COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn32)n1 ZINC000063539908 562704523 /nfs/dbraw/zinc/70/45/23/562704523.db2.gz XMGFTZYNTYNOOJ-UHFFFAOYSA-N 0 3 611.678 6.864 1 0 KKAFHN CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448349 562705484 /nfs/dbraw/zinc/70/54/84/562705484.db2.gz BQNPHGJXMWFRFI-UJOZJXIWSA-N 0 3 592.747 7.162 1 0 KKAFHN Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3ccc(F)c4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448393 562705526 /nfs/dbraw/zinc/70/55/26/562705526.db2.gz GTMBWPYOKDFCNH-VXKWHMMOSA-N 0 3 530.611 5.342 1 0 KKAFHN O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000064514008 562706502 /nfs/dbraw/zinc/70/65/02/562706502.db2.gz MAMYYNBMHYGSHM-UHFFFAOYSA-N 0 3 597.847 6.786 1 0 KKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(=O)NC2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064526961 562706748 /nfs/dbraw/zinc/70/67/48/562706748.db2.gz IKROAVAVBXVDKX-HOZJOUCCSA-N 0 3 514.510 5.976 1 0 KKAFHN O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccccc2s1 ZINC000064549482 562708044 /nfs/dbraw/zinc/70/80/44/562708044.db2.gz HIGILHVUMICSAW-UHFFFAOYSA-N 0 3 523.746 6.117 1 0 KKAFHN Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C2)CCCc2ccc(Br)cc23)n1C ZINC000064549469 562708076 /nfs/dbraw/zinc/70/80/76/562708076.db2.gz MKRKVCYLRHDJLG-HSZRJFAPSA-N 0 3 502.482 5.003 1 0 KKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3 ZINC000066077228 562710258 /nfs/dbraw/zinc/71/02/58/562710258.db2.gz SNXPYOZDXRKEER-SSEXGKCCSA-N 0 3 525.737 6.209 1 0 KKAFHN CC(C)NCc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066100598 562711232 /nfs/dbraw/zinc/71/12/32/562711232.db2.gz CFHYBQICSRKUFF-JOCHJYFZSA-N 0 3 566.624 6.483 1 0 KKAFHN CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066136292 562713063 /nfs/dbraw/zinc/71/30/63/562713063.db2.gz GWCAQZNWHULOSU-UHFFFAOYSA-N 0 3 521.727 5.004 1 0 KKAFHN CCN1c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N(C2CCCC2)[C@H](c2ccccc2)CC1=O ZINC000066136498 562713147 /nfs/dbraw/zinc/71/31/47/562713147.db2.gz IJVJTMNJBNMDDU-NDEPHWFRSA-N 0 3 597.764 5.300 3 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066147792 562713556 /nfs/dbraw/zinc/71/35/56/562713556.db2.gz PXBFCTWQJKAISQ-RCUDDFTLSA-N 0 3 591.752 5.887 3 0 KKAFHN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157539 562713978 /nfs/dbraw/zinc/71/39/78/562713978.db2.gz FKRJWSOOMWTJEG-UQARTHHBSA-N 0 3 629.806 5.002 1 0 KKAFHN CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066167023 562714200 /nfs/dbraw/zinc/71/42/00/562714200.db2.gz PGSAXCJWCDSMCF-XMMPIXPASA-N 0 3 521.727 5.319 1 0 KKAFHN CN(C[C@@H]1CCCCN1C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066252070 562714638 /nfs/dbraw/zinc/71/46/38/562714638.db2.gz JYLAXWCUPMUZAQ-NRFANRHFSA-N 0 3 593.620 6.179 1 0 KKAFHN COCCNCc1ccc(Cn2cnc3c2C(=O)N(c2ccccc2)c2cc(Cl)ccc2N3C)cc1 ZINC000066259680 562715334 /nfs/dbraw/zinc/71/53/34/562715334.db2.gz WGJIFDXRUQJVPI-UHFFFAOYSA-N 0 3 502.018 5.381 1 0 KKAFHN COc1ccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(C(C)C)SC[C@@]52C)cc1 ZINC000071281628 562716681 /nfs/dbraw/zinc/71/66/81/562716681.db2.gz JNQCYAPDXOOPBU-SGOUQRLHSA-N 0 3 606.917 7.254 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071281524 562716690 /nfs/dbraw/zinc/71/66/90/562716690.db2.gz LCKPDYGWOISVFA-ZVBBVAIHSA-N 0 3 526.725 5.688 1 0 KKAFHN CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 ZINC000071329250 562718811 /nfs/dbraw/zinc/71/88/11/562718811.db2.gz ZQDYFCAQLYEQJM-MPFGFTFXSA-N 0 3 599.836 5.013 1 0 KKAFHN CN(CC[C@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330137 562719110 /nfs/dbraw/zinc/71/91/10/562719110.db2.gz KROSHEKWTTXFGB-DEOSSOPVSA-N 0 3 512.500 6.547 1 0 KKAFHN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@H](O)c2ccc(Br)cc2)CC1 ZINC000071330891 562719224 /nfs/dbraw/zinc/71/92/24/562719224.db2.gz SBVFNLJIIJHIAV-SZNDQCEHSA-N 0 3 515.279 5.105 1 0 KKAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6cccc(SC(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112492 562722074 /nfs/dbraw/zinc/72/20/74/562722074.db2.gz FDCVDNZXWBHRNJ-IBFSNEKNSA-N 0 3 578.785 6.759 1 0 KKAFHN Clc1ccc2c(c1)nc1c(c2NCCCCCCCOc2ccc(-c3cc4ccccc4o3)cc2)CCCC1 ZINC000072113620 562722415 /nfs/dbraw/zinc/72/24/15/562722415.db2.gz YKUWYPPZSUFMOI-UHFFFAOYSA-N 0 3 539.119 9.622 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127732 562725869 /nfs/dbraw/zinc/72/58/69/562725869.db2.gz IXGXEPVYDMHUEI-BQYLNSIHSA-N 0 3 742.068 6.465 3 0 KKAFHN CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128636 562726128 /nfs/dbraw/zinc/72/61/28/562726128.db2.gz LNLNGNGPLSBRDR-CMVGPNDKSA-N 0 3 668.279 5.679 3 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000072128753 562726279 /nfs/dbraw/zinc/72/62/79/562726279.db2.gz TXGYYWCQXDVHML-PQDHALMWSA-N 0 3 634.699 6.855 3 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc([N-]S(C)(=O)=O)c2F)CC1 ZINC000072128831 562726315 /nfs/dbraw/zinc/72/63/15/562726315.db2.gz JBKRYXZRSADYOU-FITHBNAOSA-N 0 3 679.809 6.566 1 0 KKAFHN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc([N-]S(C)(=O)=O)c2F)CC1 ZINC000072128831 562726316 /nfs/dbraw/zinc/72/63/16/562726316.db2.gz JBKRYXZRSADYOU-FITHBNAOSA-N 0 3 679.809 6.566 1 0 KKAFHN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(CN(C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)C2=O)cc1 ZINC000072129853 562726463 /nfs/dbraw/zinc/72/64/63/562726463.db2.gz OAIPTJXKMLWSCX-GMCHKSTQSA-N 0 3 637.158 5.223 1 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072135821 562727612 /nfs/dbraw/zinc/72/76/12/562727612.db2.gz YEAPJXOMCGCQBF-WISKXVKBSA-N 0 3 670.005 6.129 3 0 KKAFHN CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CCc1ccccc1 ZINC000072136882 562728201 /nfs/dbraw/zinc/72/82/01/562728201.db2.gz LQNDJDYMUQINEC-WISKXVKBSA-N 0 3 670.005 6.129 3 0 KKAFHN O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072137746 562728413 /nfs/dbraw/zinc/72/84/13/562728413.db2.gz INJVJPYETILOTK-PGUFJCEWSA-N 0 3 554.694 7.054 3 0 KKAFHN Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072138339 562728744 /nfs/dbraw/zinc/72/87/44/562728744.db2.gz NOKGHPUTVAEQCP-SPWOZAQASA-N 0 3 696.043 6.663 3 0 KKAFHN CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000072141174 562729302 /nfs/dbraw/zinc/72/93/02/562729302.db2.gz OHMGRBKOZJFUJS-GJBCSVNNSA-N 0 3 642.036 6.660 3 0 KKAFHN COc1cc([C@@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144111 562729713 /nfs/dbraw/zinc/72/97/13/562729713.db2.gz KYSNZZSMILMJBY-ZWXJPIIXSA-N 0 3 695.857 6.581 3 0 KKAFHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NCCN(C)C)cc3OC(F)(F)F)nc1-2 ZINC000072177126 562731722 /nfs/dbraw/zinc/73/17/22/562731722.db2.gz MJJRBRKTAAJGIY-UHFFFAOYSA-N 0 3 650.706 5.286 1 0 KKAFHN O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179830 562732422 /nfs/dbraw/zinc/73/24/22/562732422.db2.gz MCOIFFGRXSSZPI-UHFFFAOYSA-N 0 3 524.616 5.218 1 0 KKAFHN O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1)c1ccc2cnccc2c1 ZINC000072180031 562732483 /nfs/dbraw/zinc/73/24/83/562732483.db2.gz IHFYQBCHSOVTQN-MUUNZHRXSA-N 0 3 504.461 6.925 1 0 KKAFHN COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)c(=O)oc21 ZINC000072180490 562732527 /nfs/dbraw/zinc/73/25/27/562732527.db2.gz SDZVBAMZRXDKQH-AATRIKPKSA-N 0 3 744.842 5.556 1 0 KKAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(OC(F)F)c2)c2cccc(F)c12)C1CC1 ZINC000073140372 562733607 /nfs/dbraw/zinc/73/36/07/562733607.db2.gz SDWQCOVERLZWAC-QNLPTKCRSA-N 0 3 599.600 5.697 1 0 KKAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1 ZINC000073168234 562734689 /nfs/dbraw/zinc/73/46/89/562734689.db2.gz SNDXBLGCUUUDPP-XZLGBSMGSA-N 0 3 621.769 5.047 1 0 KKAFHN COc1cc2cc(c1OCCN1CCCC1)CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2 ZINC000073197059 562735274 /nfs/dbraw/zinc/73/52/74/562735274.db2.gz YIDRUYNPCLUMDM-ONEGZZNKSA-N 0 3 515.658 5.141 1 0 KKAFHN CCN(Cc1ccncc1)Cc1cccc(-c2ccc(CC[NH2+]CCc3ccc([O-])c4[nH]c(=O)sc43)cc2)c1 ZINC000073197804 562735484 /nfs/dbraw/zinc/73/54/84/562735484.db2.gz LVCVCTIAAMQWIR-UHFFFAOYSA-N 0 3 538.717 5.754 1 0 KKAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000073199725 562736011 /nfs/dbraw/zinc/73/60/11/562736011.db2.gz XWWBOYDUGHVMQG-ZEQRLZLVSA-N 0 3 526.633 5.201 1 0 KKAFHN COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)N1C ZINC000073274173 562737217 /nfs/dbraw/zinc/73/72/17/562737217.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 0 3 638.761 6.523 1 0 KKAFHN Cn1cc(-c2ccc(CN3CCC4(CC3)O[C@@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)cn1 ZINC000073291781 562737511 /nfs/dbraw/zinc/73/75/11/562737511.db2.gz HJYIIXLZZZMLKU-MHZLTWQESA-N 0 3 505.449 6.400 1 0 KKAFHN COC(=O)c1ccc(N(Cc2ccccc2)C2CCN([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC000082154126 562740277 /nfs/dbraw/zinc/74/02/77/562740277.db2.gz LRBNIEPMSKOVLH-NRFANRHFSA-N 0 3 569.533 5.855 1 0 KKAFHN C[C@@H](NCc1ccccc1-c1ccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)sc32)cc1)c1ccccc1 ZINC000082155686 562740558 /nfs/dbraw/zinc/74/05/58/562740558.db2.gz XNZJTBRCBWPOTP-PBBNMVCDSA-N 0 3 539.701 5.679 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(N(C)C)cc4)c4ccccc4c3=O)CC2)c1 ZINC000082158349 562741107 /nfs/dbraw/zinc/74/11/07/562741107.db2.gz QBHRICSAYBDLRA-UHFFFAOYSA-N 0 3 523.681 5.358 1 0 KKAFHN O=c1[nH]c2c(s1)c(CC[NH2+]CCc1cccc(-c3cccc(CNCc4ccccc4)c3)c1)ccc2[O-] ZINC000082159895 562741123 /nfs/dbraw/zinc/74/11/23/562741123.db2.gz UGGHXKYYWLVRAE-UHFFFAOYSA-N 0 3 509.675 5.627 1 0 KKAFHN Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000084603249 562744155 /nfs/dbraw/zinc/74/41/55/562744155.db2.gz JAHLECOUHIQGMD-UHFFFAOYSA-N 0 3 592.832 6.905 1 0 KKAFHN Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCC3)ccn2)cc2c[nH]nc21 ZINC000084603735 562744236 /nfs/dbraw/zinc/74/42/36/562744236.db2.gz ZKPMAYYRIVMNLD-YTTGMZPUSA-N 0 3 590.728 6.004 1 0 KKAFHN CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N3CCNCC3)ccc2N1C(=O)OC(C)C ZINC000084616693 562744654 /nfs/dbraw/zinc/74/46/54/562744654.db2.gz VQDQNQUTDHQJSA-GGAORHGYSA-N 0 3 655.648 5.334 1 0 KKAFHN COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)cc(=O)c2cc1OC ZINC000084632034 562745436 /nfs/dbraw/zinc/74/54/36/562745436.db2.gz KBYFEQRBOAAMSZ-UHFFFAOYSA-N 0 3 620.190 7.853 1 0 KKAFHN Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(CN3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084635195 562746080 /nfs/dbraw/zinc/74/60/80/562746080.db2.gz SLKTUVPPNJWTAB-YTTGMZPUSA-N 0 3 607.759 6.185 1 0 KKAFHN Clc1cccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)c1 ZINC000084653493 562746861 /nfs/dbraw/zinc/74/68/61/562746861.db2.gz AIOXNMPFHMQKSX-JGCGQSQUSA-N 0 3 563.061 6.364 1 0 KKAFHN C[C@@H](Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655195 562747406 /nfs/dbraw/zinc/74/74/06/562747406.db2.gz DNZGEPPZYMAFLN-MRXNPFEDSA-N 0 3 540.611 6.379 1 0 in-vitro KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084670040 562748161 /nfs/dbraw/zinc/74/81/61/562748161.db2.gz KNVRDGWTVXRYGM-QNLLLTNSSA-N 0 3 664.809 9.899 1 0 KKAFHN O[C@](CN(CCCOc1ccc(Br)cc1)Cc1ccc(F)cc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706900 562750011 /nfs/dbraw/zinc/75/00/11/562750011.db2.gz DYDKUOPDSUSUNV-HHHXNRCGSA-N 0 3 575.429 5.317 1 0 KKAFHN Cc1ccc(CN(CCCOc2ccc(Br)cc2)C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000084706906 562750019 /nfs/dbraw/zinc/75/00/19/562750019.db2.gz NMAPRFKGBGQHBH-NDEPHWFRSA-N 0 3 571.466 5.486 1 0 KKAFHN Cc1cccnc1CN1CCC2(CC1)c1cc(Br)ccc1N(c1ccc(-c3ccccc3)cc1)C2=O ZINC000084712107 562750758 /nfs/dbraw/zinc/75/07/58/562750758.db2.gz YSFBPYKNKPRGMD-UHFFFAOYSA-N 0 3 538.489 7.032 1 0 KKAFHN CC(C)c1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=N)C2CCCCC2)cs1 ZINC000084712451 562750781 /nfs/dbraw/zinc/75/07/81/562750781.db2.gz VTXFZAQSBPURKC-UMSFTDKQSA-N 0 3 627.899 8.911 1 0 KKAFHN C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724576 562751184 /nfs/dbraw/zinc/75/11/84/562751184.db2.gz HNULYTNKPUHCGU-HMUOYXPCSA-N 0 3 564.689 7.592 1 0 KKAFHN Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095541474 562756148 /nfs/dbraw/zinc/75/61/48/562756148.db2.gz BUPULZSGJRTAJI-QLKFWGTOSA-N 0 3 787.962 5.803 1 0 KKAFHN COc1ccc(N(CCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 ZINC000095544847 562757941 /nfs/dbraw/zinc/75/79/41/562757941.db2.gz UWWUPWHJJGQRAH-UHFFFAOYSA-N 0 3 812.524 8.015 1 0 KKAFHN COC(=O)c1ccccc1OCCCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095545713 562758210 /nfs/dbraw/zinc/75/82/10/562758210.db2.gz OFMHVSNETOZSQH-MFERNQICSA-N 0 3 802.969 7.477 1 0 KKAFHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCNS(C)(=O)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000095546436 562758495 /nfs/dbraw/zinc/75/84/95/562758495.db2.gz CGRFGUBWGDHTDB-UHFFFAOYSA-N 0 3 747.881 5.823 1 0 KKAFHN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(SC)cc1)Oc1ccc(SC)cc1 ZINC000095547811 562758891 /nfs/dbraw/zinc/75/88/91/562758891.db2.gz JANPRRLAWIBRPA-LYDQXETESA-N 0 3 810.997 9.082 1 0 KKAFHN O=C(N[C@@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550054 562759898 /nfs/dbraw/zinc/75/98/98/562759898.db2.gz RFKDBORJIKLFCM-COZYGUBDSA-N 0 3 767.030 9.005 1 0 KKAFHN COc1cc(/C=C/C(=O)NCCNc2c3ccccc3nc3c2CCCC3)ccc1OCCCCCCO[N+](=O)[O-] ZINC000095552617 562760685 /nfs/dbraw/zinc/76/06/85/562760685.db2.gz BUTINQKWVMUCFM-BMRADRMJSA-N 0 3 562.667 5.511 1 0 KKAFHN Fc1cc([C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)c2ccc(Cl)cc2)ccc1CN1CCCC1 ZINC000095555497 562761560 /nfs/dbraw/zinc/76/15/60/562761560.db2.gz FYYHDKQPTNFAPC-HHHXNRCGSA-N 0 3 513.966 7.843 1 0 KKAFHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)NCc1ccc(Cl)cc1 ZINC000095557039 562761931 /nfs/dbraw/zinc/76/19/31/562761931.db2.gz HVOHLZRJSNDUAD-QJKWIJLYSA-N 0 3 664.312 7.384 1 0 KKAFHN CC(=O)OC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C5(CC35CCC21C)CCC(OC(=O)N1CCC1)C4(C)C)C(C)(C)O ZINC000095558922 562762589 /nfs/dbraw/zinc/76/25/89/562762589.db2.gz PGQWOJZFJDAXGO-KOADAMRUSA-N 0 3 615.852 5.713 1 0 KKAFHN COc1ccccc1N1CCN(CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000095564384 562764296 /nfs/dbraw/zinc/76/42/96/562764296.db2.gz SRHLBJRVURTLAU-UHFFFAOYSA-N 0 3 762.175 8.909 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095566317 562764890 /nfs/dbraw/zinc/76/48/90/562764890.db2.gz UEDLRIRBQUSIHX-URCPOSBSSA-N 0 3 642.675 5.359 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566846 562765304 /nfs/dbraw/zinc/76/53/04/562765304.db2.gz RBOAJFBNHJWMOW-DOKVQHETSA-N 0 3 684.800 7.277 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567054 562765486 /nfs/dbraw/zinc/76/54/86/562765486.db2.gz HOPYMWLRLXEYET-KFDAFQGLSA-N 0 3 708.816 5.175 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567557 562765938 /nfs/dbraw/zinc/76/59/38/562765938.db2.gz IFLLFBGKWUQYRJ-CNIZKOLKSA-N 0 3 721.899 6.941 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567902 562766185 /nfs/dbraw/zinc/76/61/85/562766185.db2.gz UEDLRIRBQUSIHX-FNFPNEPISA-N 0 3 642.675 5.359 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568025 562766215 /nfs/dbraw/zinc/76/62/15/562766215.db2.gz TWOWYTAAZQEFAQ-NPPPIGHJSA-N 0 3 634.802 6.568 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568332 562766527 /nfs/dbraw/zinc/76/65/27/562766527.db2.gz CMTIPOGQFXEGCZ-AZAGJHQNSA-N 0 3 655.840 5.321 1 0 KKAFHN CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095568350 562766580 /nfs/dbraw/zinc/76/65/80/562766580.db2.gz VFZKAXWKAPYYIB-BSUMSBOOSA-N 0 3 748.075 6.724 3 0 KKAFHN COc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095568589 562766733 /nfs/dbraw/zinc/76/67/33/562766733.db2.gz FGZYRMRERWZGKV-YHGPEZAFSA-N 0 3 614.665 5.710 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095568591 562766755 /nfs/dbraw/zinc/76/67/55/562766755.db2.gz FGZYRMRERWZGKV-GGJMMHKRSA-N 0 3 614.665 5.710 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095568871 562766918 /nfs/dbraw/zinc/76/69/18/562766918.db2.gz NPROPWLENAWEMC-RNDKRWLGSA-N 0 3 610.730 6.489 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095570192 562768004 /nfs/dbraw/zinc/76/80/04/562768004.db2.gz WPPOVSPAEBFYOJ-ISVMRZDUSA-N 0 3 652.748 6.204 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095570458 562768203 /nfs/dbraw/zinc/76/82/03/562768203.db2.gz GFVNWDBMZVYSCS-QOCGDCEFSA-N 0 3 694.833 5.455 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570456 562768238 /nfs/dbraw/zinc/76/82/38/562768238.db2.gz RKFPRZNLXVJUNG-TVUFSCHNSA-N 0 3 627.807 5.815 1 0 KKAFHN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570456 562768239 /nfs/dbraw/zinc/76/82/39/562768239.db2.gz RKFPRZNLXVJUNG-TVUFSCHNSA-N 0 3 627.807 5.815 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095570733 562768441 /nfs/dbraw/zinc/76/84/41/562768441.db2.gz NGQWRAJVXVPGQM-IKTKBOKFSA-N 0 3 668.770 5.656 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095571036 562768708 /nfs/dbraw/zinc/76/87/08/562768708.db2.gz ILXAKKDOMJRPPA-RXEHIIAQSA-N 0 3 624.562 5.285 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095571121 562768783 /nfs/dbraw/zinc/76/87/83/562768783.db2.gz VYACBIYDVUCBDQ-BIALHBOASA-N 0 3 641.017 5.800 1 0 KKAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095571121 562768784 /nfs/dbraw/zinc/76/87/84/562768784.db2.gz VYACBIYDVUCBDQ-BIALHBOASA-N 0 3 641.017 5.800 1 0 KKAFHN CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095571249 562768866 /nfs/dbraw/zinc/76/88/66/562768866.db2.gz DZGZFXRKNSZUSK-MKGJDZFWSA-N 0 3 573.738 5.285 1 0 KKAFHN COCC(=O)N[C@@H](Cc1cc(-c2nccs2)ccc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095575009 562770159 /nfs/dbraw/zinc/77/01/59/562770159.db2.gz GJNXRLZLOPXPDU-GMQQYTKMSA-N 0 3 596.769 5.004 1 0 KKAFHN O=C(CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)NCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000095575576 562770367 /nfs/dbraw/zinc/77/03/67/562770367.db2.gz VGQNFBMJENACNX-UHFFFAOYSA-N 0 3 562.139 6.618 1 0 KKAFHN CCC1=C(C)/C2=C/c3[nH]c(c(C)c3[C@@H](C)OCc3cccc(I)c3)/C=C3\N=C(C4=CC(=O)c5c(C)c([nH]c54)/C=C/1[NH2+]2)[C@H](CCC(=O)[O-])[C@@H]3C ZINC000095577387 562770929 /nfs/dbraw/zinc/77/09/29/562770929.db2.gz KNYYYFVBCXZQSZ-HRRBBWQUSA-N 0 3 768.696 9.453 1 0 KKAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1cccc(-c3nccs3)c1)NC(=O)[C@H]1CCCO1)CC1(CCC1)O2 ZINC000095578118 562771157 /nfs/dbraw/zinc/77/11/57/562771157.db2.gz DZIXUQJNRCUJQW-QUAHOIDUSA-N 0 3 604.817 5.397 1 0 KKAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccc(OC)cc2)c1 ZINC000095588698 562774701 /nfs/dbraw/zinc/77/47/01/562774701.db2.gz DACJXLUHXGBKRZ-IOWSJCHKSA-N 0 3 559.751 5.184 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)scc4[S@](C)=O)[nH]2)cc1 ZINC000095589129 562774831 /nfs/dbraw/zinc/77/48/31/562774831.db2.gz RENJVVIMBVMZFF-PGUFJCEWSA-N 0 3 502.665 5.698 1 0 KKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)scc4[S@](C)=O)c(-c3ccncc3)[nH]2)cc1 ZINC000095589129 562774832 /nfs/dbraw/zinc/77/48/32/562774832.db2.gz RENJVVIMBVMZFF-PGUFJCEWSA-N 0 3 502.665 5.698 1 0 KKAFHN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3nc3c2CCCC3)c1 ZINC000095592494 562775943 /nfs/dbraw/zinc/77/59/43/562775943.db2.gz DGHGOSYIEYKLFG-UHFFFAOYSA-N 0 3 611.233 10.637 1 0 KKAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]C45CC6CC(CC(C6)C4)C5)c(C)c3oc2=O)ccc1[O-] ZINC000095596687 562777072 /nfs/dbraw/zinc/77/70/72/562777072.db2.gz BXJRMTZOIJZJSP-UHFFFAOYSA-N 0 3 570.730 6.895 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095598739 562777510 /nfs/dbraw/zinc/77/75/10/562777510.db2.gz VEPDEMYFDLWGKS-QVEDPAKJSA-N 0 3 699.842 5.283 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095599293 562777972 /nfs/dbraw/zinc/77/79/72/562777972.db2.gz LYMUYLCMDRKWKZ-KAUPTSPVSA-N 0 3 601.791 7.002 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095599409 562778077 /nfs/dbraw/zinc/77/80/77/562778077.db2.gz STCNQGKHPZHYJD-SCZOVYFASA-N 0 3 711.826 6.096 1 0 KKAFHN COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600350 562778827 /nfs/dbraw/zinc/77/88/27/562778827.db2.gz XGMQKVJTWVADHD-MCYUDXQTSA-N 0 3 714.826 7.286 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095600652 562779095 /nfs/dbraw/zinc/77/90/95/562779095.db2.gz KTOLAWMRFLMANX-WKOYJDCPSA-N 0 3 683.812 6.814 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600676 562779183 /nfs/dbraw/zinc/77/91/83/562779183.db2.gz GMYAYTAKTSTYEI-STFWXSJUSA-N 0 3 608.702 5.707 1 0 KKAFHN COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc54)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600841 562779285 /nfs/dbraw/zinc/77/92/85/562779285.db2.gz KGUBXXXSQYSQMA-DDAOWKICSA-N 0 3 696.889 7.420 1 0 KKAFHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3cccc4ccccc43)sc(-c3cccc4ccccc43)c21 ZINC000095601767 562779798 /nfs/dbraw/zinc/77/97/98/562779798.db2.gz GNAKZZHCWFELFA-UHFFFAOYSA-N 0 3 551.711 9.050 1 0 KKAFHN COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095601957 562779837 /nfs/dbraw/zinc/77/98/37/562779837.db2.gz JULLQOCSFVORMO-JDJCDPLLSA-N 0 3 681.896 5.732 1 0 KKAFHN COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095601957 562779838 /nfs/dbraw/zinc/77/98/38/562779838.db2.gz JULLQOCSFVORMO-JDJCDPLLSA-N 0 3 681.896 5.732 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095602405 562780043 /nfs/dbraw/zinc/78/00/43/562780043.db2.gz KVYNYDNSHYPGTF-GMERYBDXSA-N 0 3 669.785 6.885 1 0 KKAFHN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095602663 562780132 /nfs/dbraw/zinc/78/01/32/562780132.db2.gz JRHQODKPGBTKIY-CGQTXMLISA-N 0 3 614.665 5.710 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095603051 562780350 /nfs/dbraw/zinc/78/03/50/562780350.db2.gz QMWRRMYICQUONI-FQWYTPLZSA-N 0 3 627.807 5.435 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095603051 562780351 /nfs/dbraw/zinc/78/03/51/562780351.db2.gz QMWRRMYICQUONI-FQWYTPLZSA-N 0 3 627.807 5.435 1 0 KKAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095604076 562780815 /nfs/dbraw/zinc/78/08/15/562780815.db2.gz PMSXCOZUFRLTET-VIPXIGFPSA-N 0 3 660.737 7.369 1 0 KKAFHN Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604542 562781064 /nfs/dbraw/zinc/78/10/64/562781064.db2.gz WOMGVMCAFXSGAU-SPWOZAQASA-N 0 3 696.043 6.663 3 0 KKAFHN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000095607674 562783023 /nfs/dbraw/zinc/78/30/23/562783023.db2.gz ORPYCWJPNJKZIA-IWWXRALLSA-N 0 3 635.293 6.124 1 0 KKAFHN O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCCNC(=O)Nc1ccccc1Cl ZINC000095608294 562783474 /nfs/dbraw/zinc/78/34/74/562783474.db2.gz MCGQZPBZSRMELE-SQTHHBBYSA-N 0 3 767.371 7.121 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095608459 562783538 /nfs/dbraw/zinc/78/35/38/562783538.db2.gz HTOJUIVQXWRKOG-HUESYALOSA-N 0 3 773.935 5.413 1 0 KKAFHN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 ZINC000095608623 562783615 /nfs/dbraw/zinc/78/36/15/562783615.db2.gz KABZRBRZZFAAPS-USYZEHPZSA-N 0 3 785.990 6.575 1 0 KKAFHN COC(=O)c1ccccc1OCCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095610454 562784429 /nfs/dbraw/zinc/78/44/29/562784429.db2.gz ZFPPUHTZTYNOKP-YACUFSJGSA-N 0 3 788.942 7.087 1 0 KKAFHN CCOC(=O)CCCn1c2ccccc2nc1C(=O)C1CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095610486 562784448 /nfs/dbraw/zinc/78/44/48/562784448.db2.gz CUKBOHPSSFJJFQ-RWYGWLOXSA-N 0 3 779.762 7.481 1 0 KKAFHN COc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000095615148 562787142 /nfs/dbraw/zinc/78/71/42/562787142.db2.gz BOJLJYRVWHJBLQ-MKPDMIMOSA-N 0 3 744.847 7.819 1 0 KKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000095670061 562788247 /nfs/dbraw/zinc/78/82/47/562788247.db2.gz YWKQKXOEKQEVAI-WIOPSUGQSA-N 0 3 527.505 6.606 1 0 KKAFHN CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688963 562788409 /nfs/dbraw/zinc/78/84/09/562788409.db2.gz JEZVAYALKLQWEA-ISTJGCCRSA-N 0 3 558.723 5.493 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095782198 562789062 /nfs/dbraw/zinc/78/90/62/562789062.db2.gz RKGZPYZYFFYRHI-RYOMNGFGSA-N 0 3 606.767 6.279 1 0 KKAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797999 562789165 /nfs/dbraw/zinc/78/91/65/562789165.db2.gz CRAILXCFJDOKOF-TVUFSCHNSA-N 0 3 548.727 6.511 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095853745 562789552 /nfs/dbraw/zinc/78/95/52/562789552.db2.gz YLCYRDPZGWCEPF-ISVMRZDUSA-N 0 3 631.770 5.646 1 0 KKAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095853745 562789553 /nfs/dbraw/zinc/78/95/53/562789553.db2.gz YLCYRDPZGWCEPF-ISVMRZDUSA-N 0 3 631.770 5.646 1 0 KKAFHN COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc([O-])c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)[NH2+]CC5 ZINC000095910145 562790313 /nfs/dbraw/zinc/79/03/13/562790313.db2.gz AFGMWONXXNDGGE-UIOOFZCWSA-N 0 3 548.639 6.606 1 0 biogenic,in-vitro KKAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccccn3)c3ncc(N(C)CCN(C)C)nc23)c1Cl ZINC000096173409 562791374 /nfs/dbraw/zinc/79/13/74/562791374.db2.gz MVSKVMADGSHVMB-UHFFFAOYSA-N 0 3 555.466 5.266 1 0 KKAFHN O=C(NCCc1ccc(Cl)cc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174112 562791704 /nfs/dbraw/zinc/79/17/04/562791704.db2.gz HZXDABRCRGDJRG-UHFFFAOYSA-N 0 3 605.146 6.213 1 0 KKAFHN COc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1Cl ZINC000096174105 562791727 /nfs/dbraw/zinc/79/17/27/562791727.db2.gz KIGUEMCTKTYNPR-UHFFFAOYSA-N 0 3 607.118 6.501 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000096271296 562793792 /nfs/dbraw/zinc/79/37/92/562793792.db2.gz YDQYIAXXCQRXAP-UHFFFAOYSA-N 0 3 612.218 7.646 1 0 KKAFHN CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2cccc(Br)n2c1-c1ccc(F)cc1 ZINC000096282437 562794654 /nfs/dbraw/zinc/79/46/54/562794654.db2.gz ZATPRXWLTXOXAQ-UHFFFAOYSA-N 0 3 564.286 6.414 1 0 KKAFHN CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 ZINC000096282257 562794658 /nfs/dbraw/zinc/79/46/58/562794658.db2.gz GGDJHNWKACMLOC-MHTMXISKSA-N 0 3 516.673 5.634 1 0 KKAFHN C[C@H](c1ccc(-c2ccc(F)cc2)cc1)n1c2ccccc2n(C2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285298 562795496 /nfs/dbraw/zinc/79/54/96/562795496.db2.gz JMFRZCFVKSIBHG-AREMUKBSSA-N 0 3 632.784 6.271 1 0 KKAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Br)c2)CC1 ZINC000096285338 562795510 /nfs/dbraw/zinc/79/55/10/562795510.db2.gz ZRBNRFQNYULVHS-KMRXNPHXSA-N 0 3 611.629 5.640 1 0 KKAFHN Cc1cc(F)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285358 562795550 /nfs/dbraw/zinc/79/55/50/562795550.db2.gz RABMHVAUKSATIA-MNNSJKJDSA-N 0 3 564.750 5.325 1 0 KKAFHN Cc1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285365 562795558 /nfs/dbraw/zinc/79/55/58/562795558.db2.gz WZRAMHXCXACTHM-RNWIMVQKSA-N 0 3 546.760 5.186 1 0 KKAFHN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286089 562796081 /nfs/dbraw/zinc/79/60/81/562796081.db2.gz XTOCLIMUJPTPGR-GOSISDBHSA-N 0 3 590.709 5.245 1 0 KKAFHN O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CNCCN3CCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096909020 562799537 /nfs/dbraw/zinc/79/95/37/562799537.db2.gz OCXBVGMTFKXQPO-UHFFFAOYSA-N 0 3 717.837 6.723 1 0 KKAFHN O=C(N[C@@H](Cc1ccccc1)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000096922438 562801832 /nfs/dbraw/zinc/80/18/32/562801832.db2.gz CMETYEMVCMWOFX-RWYGWLOXSA-N 0 3 649.835 7.877 1 0 KKAFHN O=C1C[C@H](c2cccs2)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)sc2N1CCCN1CCCCC1 ZINC000096923475 562802109 /nfs/dbraw/zinc/80/21/09/562802109.db2.gz VGJJIQWZDLHURY-RUZDIDTESA-N 0 3 581.634 9.195 1 0 KKAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)ccn2)cc1F ZINC000096932631 562803458 /nfs/dbraw/zinc/80/34/58/562803458.db2.gz JQESHMSPVFAHPG-UHFFFAOYSA-N 0 3 639.703 6.645 1 0 KKAFHN CN(CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccccc1 ZINC000096939391 562804758 /nfs/dbraw/zinc/80/47/58/562804758.db2.gz QFIJRPPWZAIMLZ-SANMLTNESA-N 0 3 565.061 5.434 1 0 KKAFHN CN(CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Cl)cc1 ZINC000096939389 562804771 /nfs/dbraw/zinc/80/47/71/562804771.db2.gz NKPNQEOGFCIQAF-SANMLTNESA-N 0 3 599.506 6.087 1 0 KKAFHN C=C1N=C(C)C(C(=O)OCCCc2cccnc2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033911 562806220 /nfs/dbraw/zinc/80/62/20/562806220.db2.gz HUPJSWZOSVBISZ-JGCQVQDFSA-N 0 3 505.659 6.316 1 0 KKAFHN O=S(=O)([N-][C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F ZINC000101086244 562809063 /nfs/dbraw/zinc/80/90/63/562809063.db2.gz HNTIGZIKHBPAFD-MXVIHJGJSA-N 0 3 549.030 5.889 1 0 KKAFHN COc1cc2c3cc1Oc1cccc(c1)CCN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N(C3)C(=N)N2 ZINC000101344277 562810356 /nfs/dbraw/zinc/81/03/56/562810356.db2.gz XGXJBGSGDARAGO-LJAQVGFWSA-N 0 3 544.740 6.696 1 0 KKAFHN COCCCN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367530 562810430 /nfs/dbraw/zinc/81/04/30/562810430.db2.gz SGQJPPQXKVUHGS-RQNOJGIXSA-N 0 3 616.170 5.752 1 0 KKAFHN CC(C)[C@H]1C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 ZINC000101630624 562811431 /nfs/dbraw/zinc/81/14/31/562811431.db2.gz VWGBZQIJWXMOED-UMSFTDKQSA-N 0 3 619.814 5.341 1 0 KKAFHN COc1ccc(CNCCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)cc1 ZINC000101696399 562811898 /nfs/dbraw/zinc/81/18/98/562811898.db2.gz BEVMOTBUEQKRNX-UHFFFAOYSA-N 0 3 619.743 6.792 1 0 KKAFHN COc1cc(-c2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4nc2-3)cc(OC)c1OC ZINC000101881277 562812356 /nfs/dbraw/zinc/81/23/56/562812356.db2.gz DMZLQLNKJANREG-UHFFFAOYSA-N 0 3 550.659 5.755 1 0 KKAFHN CCCN1C(=S)N=C(C)C(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1C(F)(F)F ZINC000102276418 562813111 /nfs/dbraw/zinc/81/31/11/562813111.db2.gz SOGSHTIKPQOWRS-RUZDIDTESA-N 0 3 531.644 6.240 1 0 KKAFHN CCCCC[C@@H](C)N(Cc1ccc(CCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000103214752 562816962 /nfs/dbraw/zinc/81/69/62/562816962.db2.gz NCMBHBXJRAKPLQ-AREMUKBSSA-N 0 3 577.810 7.580 1 0 KKAFHN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCCC4)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228611 562817996 /nfs/dbraw/zinc/81/79/96/562817996.db2.gz LVDNDIAWOVGRPS-UHFFFAOYSA-N 0 3 547.652 6.091 1 0 KKAFHN Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103230153 562818127 /nfs/dbraw/zinc/81/81/27/562818127.db2.gz LZGQSXPHQTXUGY-AUEATDLBSA-N 0 3 536.915 8.046 1 0 KKAFHN CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000103239349 562819314 /nfs/dbraw/zinc/81/93/14/562819314.db2.gz VQUKELFGZIHDQR-UHFFFAOYSA-N 0 3 532.628 6.092 1 0 KKAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccccn3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240389 562819476 /nfs/dbraw/zinc/81/94/76/562819476.db2.gz FKWTWWTVDIYNOD-UUWRZZSWSA-N 0 3 587.772 5.183 1 0 KKAFHN Cc1ccc(CN(C)Cc2ccccc2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103241209 562819562 /nfs/dbraw/zinc/81/95/62/562819562.db2.gz ZKEUVZANLIVPOD-UHFFFAOYSA-N 0 3 611.668 8.287 1 0 KKAFHN COc1ccc(C[C@@H]2COc3cc(OCCCCCCNc4c5ccccc5nc5c4CCCC5)ccc3C2=O)cc1 ZINC000103248546 562820058 /nfs/dbraw/zinc/82/00/58/562820058.db2.gz VPASMJLIZUECKG-AREMUKBSSA-N 0 3 564.726 7.608 1 0 KKAFHN Brc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1 ZINC000103253725 562820591 /nfs/dbraw/zinc/82/05/91/562820591.db2.gz RHVNIKMJBSVJBT-UHFFFAOYSA-N 0 3 558.362 6.357 1 0 KKAFHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3cnn(C)c3)c3cccn3n2)cc1 ZINC000103261543 562821472 /nfs/dbraw/zinc/82/14/72/562821472.db2.gz NJZOTGHNVDYRBT-UHFFFAOYSA-N 0 3 506.614 5.030 1 0 KKAFHN O=C(Nc1noc2cccnc21)N1CC2(C1)CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263329 562821702 /nfs/dbraw/zinc/82/17/02/562821702.db2.gz OFQOJSMWHIRKHR-UHFFFAOYSA-N 0 3 503.990 5.798 1 0 KKAFHN OC[C@H](O)CN1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl ZINC000103297270 562824597 /nfs/dbraw/zinc/82/45/97/562824597.db2.gz QZTIHPDSTDDSTG-BHIFYINESA-N 0 3 505.313 6.442 1 0 KKAFHN O=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCOCC2)CC1)C1CC1 ZINC000114036986 562827197 /nfs/dbraw/zinc/82/71/97/562827197.db2.gz MALPONILHDQNAC-UHFFFAOYSA-N 0 3 506.046 5.402 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NCC[NH+](C)C)nc4)c3c2)cc(Cl)c1[O-] ZINC000114038148 562827207 /nfs/dbraw/zinc/82/72/07/562827207.db2.gz AFBYVXCZFQHLEX-UHFFFAOYSA-N 0 3 532.044 5.974 1 0 KKAFHN CCOc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099117 562827608 /nfs/dbraw/zinc/82/76/08/562827608.db2.gz FYBDLDRPZFWUMY-HSZRJFAPSA-N 0 3 501.067 5.407 1 0 KKAFHN CC(=O)Oc1cccc(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114101159 562827824 /nfs/dbraw/zinc/82/78/24/562827824.db2.gz VICCPXIMFPISQJ-XMMPIXPASA-N 0 3 529.077 5.323 1 0 KKAFHN O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000114981070 562828714 /nfs/dbraw/zinc/82/87/14/562828714.db2.gz LOBSNLWYJKVAMA-SANMLTNESA-N 0 3 515.050 5.145 1 0 KKAFHN CN1CCC[C@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)nc1 ZINC000116055357 562829204 /nfs/dbraw/zinc/82/92/04/562829204.db2.gz IDITYFDOXWBOKM-NDEPHWFRSA-N 0 3 627.786 5.978 1 0 KKAFHN CN(C)CCOc1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)nc1 ZINC000116054890 562829217 /nfs/dbraw/zinc/82/92/17/562829217.db2.gz YHSFAUQMVIUXHL-UHFFFAOYSA-N 0 3 631.774 5.152 1 0 KKAFHN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCCN(C2CCCC2)C1 ZINC000140843804 562833353 /nfs/dbraw/zinc/83/33/53/562833353.db2.gz WXDZHXSCSPJUOV-XMMPIXPASA-N 0 3 514.510 6.397 1 0 KKAFHN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCCN(CC2CC2)C1 ZINC000140844177 562833374 /nfs/dbraw/zinc/83/33/74/562833374.db2.gz ZQTLLEQBUNKYFU-HSZRJFAPSA-N 0 3 500.483 5.864 1 0 KKAFHN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3Cl)nc1-2 ZINC000141184413 562833503 /nfs/dbraw/zinc/83/35/03/562833503.db2.gz VFDJEOJEYOZFET-UHFFFAOYSA-N 0 3 542.087 5.172 1 0 KKAFHN CN(C)CCN(Cc1ccccc1)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143388056 562834984 /nfs/dbraw/zinc/83/49/84/562834984.db2.gz QWJUVVNLIDHRPK-UHFFFAOYSA-N 0 3 609.986 6.181 1 0 KKAFHN COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(CN5[C@H](C)CN(C)C[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2 ZINC000144986166 562836849 /nfs/dbraw/zinc/83/68/49/562836849.db2.gz OQYLKJLEFFUOSP-AFYCESQPSA-N 0 3 547.703 5.644 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146012094 562837951 /nfs/dbraw/zinc/83/79/51/562837951.db2.gz OSBSLPQRYDHUTC-OAHLLOKOSA-N 0 3 619.044 5.664 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148168268 562840402 /nfs/dbraw/zinc/84/04/02/562840402.db2.gz MQAHZVKSBBDGDS-HXUWFJFHSA-N 0 3 623.684 5.189 1 0 KKAFHN CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N(C)CCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148172839 562840434 /nfs/dbraw/zinc/84/04/34/562840434.db2.gz RHSNWAKSPFXEHA-UHFFFAOYSA-N 0 3 595.674 5.587 1 0 KKAFHN O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccc(F)cc4)CC3)cc2N1 ZINC000148714111 562841688 /nfs/dbraw/zinc/84/16/88/562841688.db2.gz CCMLDGCVAGTXJF-UHFFFAOYSA-N 0 3 526.656 5.695 1 0 KKAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000148849202 562841873 /nfs/dbraw/zinc/84/18/73/562841873.db2.gz RVZYMIMTFMNCLX-QHCPKHFHSA-N 0 3 529.077 5.169 1 0 KKAFHN CN1CCN(C[C@H](O)COc2c(Br)cc(C(c3cc(Br)c(OC[C@@H](O)CN4CCN(C)CC4)c(Br)c3)(C(F)(F)F)C(F)(F)F)cc2Br)CC1 ZINC000150561655 562844907 /nfs/dbraw/zinc/84/49/07/562844907.db2.gz GGMPSENEASCRJD-VXKWHMMOSA-N 0 3 964.273 6.122 1 0 KKAFHN CCCCN1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606208 562847888 /nfs/dbraw/zinc/84/78/88/562847888.db2.gz WOBWACBYJMRKDB-MSEJLTFDSA-N 0 3 674.956 6.416 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N3CCN(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000165277548 562850053 /nfs/dbraw/zinc/85/00/53/562850053.db2.gz QNEKOFUXJFJGSV-UHFFFAOYSA-N 0 3 649.722 5.358 1 0 KKAFHN Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1 ZINC000167114347 562850675 /nfs/dbraw/zinc/85/06/75/562850675.db2.gz LNKXDEUQWCRYRA-UHFFFAOYSA-N 0 3 514.608 6.525 1 0 KKAFHN CSc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167367559 562850745 /nfs/dbraw/zinc/85/07/45/562850745.db2.gz BANWNETXRJVKLD-UHFFFAOYSA-N 0 3 545.676 5.268 1 0 KKAFHN CC(C)Nc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nccn21 ZINC000167936456 562851129 /nfs/dbraw/zinc/85/11/29/562851129.db2.gz JWAAHLMUTIVCTN-UHFFFAOYSA-N 0 3 541.663 5.663 1 0 KKAFHN O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@@H]1CN1CC[C@@H](O)C1 ZINC000169295944 562852429 /nfs/dbraw/zinc/85/24/29/562852429.db2.gz XACYZNUBDRDHNM-CLJLJLNGSA-N 0 3 548.609 5.977 1 0 KKAFHN COc1ccc(C2=NN(CCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc([O-])c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000169307488 562853799 /nfs/dbraw/zinc/85/37/99/562853799.db2.gz YPPWGDDMIBSRAX-JBCHHCLFSA-N 0 3 686.850 5.834 1 0 KKAFHN CC(=O)Nc1cccc(C2CCN([C@@H](C)c3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321680 562856732 /nfs/dbraw/zinc/85/67/32/562856732.db2.gz YQNYMXZOKWDFDZ-QHCPKHFHSA-N 0 3 560.673 7.295 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)c1C ZINC000169322865 562856901 /nfs/dbraw/zinc/85/69/01/562856901.db2.gz XBSCRLVKYZOQAQ-UHFFFAOYSA-N 0 3 626.245 8.036 1 0 KKAFHN COCCN1CCC[C@@H](Cn2c(=O)c3sc(-c4ccc(Cl)cc4)nc3nc2-c2ccccc2C)C1 ZINC000169323231 562857008 /nfs/dbraw/zinc/85/70/08/562857008.db2.gz CECBMNBUQKXZCK-LJQANCHMSA-N 0 3 509.075 5.507 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@@H+]2C[C@H]3[C@H](COC(=O)Nc4ccccc4-c4ccc([O-])c(Cl)c4)[C@H]3C2)ccc1O ZINC000169323333 562857024 /nfs/dbraw/zinc/85/70/24/562857024.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N 0 3 729.340 6.570 1 0 KKAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@H+]2C[C@H]3[C@H](COC(=O)Nc4ccccc4-c4ccc([O-])c(Cl)c4)[C@H]3C2)ccc1O ZINC000169323333 562857025 /nfs/dbraw/zinc/85/70/25/562857025.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N 0 3 729.340 6.570 1 0 KKAFHN COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3CCCN2CCN(CCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)CC2)cc1 ZINC000169324467 562857337 /nfs/dbraw/zinc/85/73/37/562857337.db2.gz ZTWYVDICEREGTQ-LHEWISCISA-N 0 3 791.993 8.952 1 0 KKAFHN Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)c1C ZINC000169324421 562857375 /nfs/dbraw/zinc/85/73/75/562857375.db2.gz AOVPNGCKZMQENI-UHFFFAOYSA-N 0 3 577.773 6.993 1 0 KKAFHN CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334291 562859469 /nfs/dbraw/zinc/85/94/69/562859469.db2.gz VCZAKRHTOVSWLS-DEOSSOPVSA-N 0 3 507.889 7.362 1 0 KKAFHN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000169335830 562859708 /nfs/dbraw/zinc/85/97/08/562859708.db2.gz MATNFYHKYBREMY-AREMUKBSSA-N 0 3 536.516 6.654 1 0 KKAFHN CCN(CC)C[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335757 562859728 /nfs/dbraw/zinc/85/97/28/562859728.db2.gz CPGOGJLJZHZUAI-HSZRJFAPSA-N 0 3 504.266 6.316 1 0 KKAFHN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(N3CCNCC3)cc2)n1 ZINC000169341150 562860702 /nfs/dbraw/zinc/86/07/02/562860702.db2.gz LWDDIVHRTHJDBZ-UHFFFAOYSA-N 0 3 574.733 6.042 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3Nc3nc(-c4ccccc4)cs3)c3c2c(Cl)ccc3O)CC1 ZINC000169347476 562861965 /nfs/dbraw/zinc/86/19/65/562861965.db2.gz GTFZYIQGXCUYBX-UHFFFAOYSA-N 0 3 559.179 8.444 1 0 KKAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)/C=C/CN(C)C)c2)nc1 ZINC000169353167 562863362 /nfs/dbraw/zinc/86/33/62/562863362.db2.gz HRJPAWRABHUYPD-IZZDOVSWSA-N 0 3 617.632 6.108 1 0 KKAFHN CC(C)(C)CN1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(Cl)cc4s3)c3c2c(Cl)ccc3O)CC1 ZINC000169353912 562863617 /nfs/dbraw/zinc/86/36/17/562863617.db2.gz OYXRUIWYKLWHNT-UHFFFAOYSA-N 0 3 610.611 8.484 1 0 KKAFHN Cc1nccn1Cc1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698436 562867238 /nfs/dbraw/zinc/86/72/38/562867238.db2.gz FKWAPTAZKOGWII-UHFFFAOYSA-N 0 3 584.750 5.121 1 0 KKAFHN CCCCNC(=O)Cc1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698434 562867266 /nfs/dbraw/zinc/86/72/66/562867266.db2.gz WKNPSQNSFCVMQI-UHFFFAOYSA-N 0 3 603.793 5.027 1 0 KKAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@H]3C)n1 ZINC000169707549 562870080 /nfs/dbraw/zinc/87/00/80/562870080.db2.gz MRDPHEVYJFFGER-INIZCTEOSA-N 0 3 634.606 5.489 1 0 KKAFHN CC(C)(C)[Si](CCc1c(N2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195390924 562871717 /nfs/dbraw/zinc/87/17/17/562871717.db2.gz XUSGFBYGTCUJNW-UHFFFAOYSA-N 0 3 624.732 8.224 1 0 KKAFHN CCN1c2ccc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C(F)(F)F)cc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000197908495 562872613 /nfs/dbraw/zinc/87/26/13/562872613.db2.gz ALRMPHHZEVRXDO-UHFFFAOYSA-N 0 3 638.687 5.940 1 0 KKAFHN Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCCN(Cc5ccccc5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430486 562874530 /nfs/dbraw/zinc/87/45/30/562874530.db2.gz MOISIFKTLSDCMP-SANMLTNESA-N 0 3 548.695 5.791 1 0 KKAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C[C@H]3CCCCO3)nc21 ZINC000204462482 562874585 /nfs/dbraw/zinc/87/45/85/562874585.db2.gz RDQZQEGAGKTAEH-AREMUKBSSA-N 0 3 651.738 5.746 1 0 KKAFHN Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCN(C7CCCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204956285 562874633 /nfs/dbraw/zinc/87/46/33/562874633.db2.gz XHWNFTZGGRJFLV-UHFFFAOYSA-N 0 3 524.698 5.284 1 0 KKAFHN CC(C)(C)OC(=O)N1C[C@H](Nc2nc3ccc(F)cc3[nH]2)[C@@H](OCc2ccc(-c3ccccc3)cc2)C1 ZINC000206740013 562876527 /nfs/dbraw/zinc/87/65/27/562876527.db2.gz ISSOLUDHEZMZKW-UIOOFZCWSA-N 0 3 502.590 5.986 1 0 KKAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000221083124 562878779 /nfs/dbraw/zinc/87/87/79/562878779.db2.gz KPVDNVGZRAUKCT-WZRJCJTJSA-N 0 3 679.564 5.313 1 0 KKAFHN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(C)cc5)n4)cc32)c(C)c1C(=O)NCCN1CCCC1 ZINC000221769989 562879236 /nfs/dbraw/zinc/87/92/36/562879236.db2.gz IEROXEXCWXUBDL-UQQQWYQISA-N 0 3 551.716 6.049 1 0 KKAFHN COc1ccc(C(=O)NCCN2CCCC2)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224128258 562880385 /nfs/dbraw/zinc/88/03/85/562880385.db2.gz YVYATCZGDDDVSH-UMSFTDKQSA-N 0 3 660.646 7.503 1 0 KKAFHN O=C(NCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O ZINC000299825555 562883602 /nfs/dbraw/zinc/88/36/02/562883602.db2.gz CRNAJFAIPHACBA-UHFFFAOYSA-N 0 3 567.608 6.911 1 0 KKAFHN CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc21 ZINC000299828821 562884618 /nfs/dbraw/zinc/88/46/18/562884618.db2.gz IYYQARUVFBODEX-UHFFFAOYSA-N 0 3 501.443 6.283 1 0 KKAFHN O=C(NCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O ZINC000299832711 562885892 /nfs/dbraw/zinc/88/58/92/562885892.db2.gz QTJIWFKUPQRREG-UHFFFAOYSA-N 0 3 553.581 6.521 1 0 KKAFHN CNc1nc(-c2ccc(CCN3CCN(CCCCN4CCN(c5ccccc5Cl)CC4)CC3)cc2)cs1 ZINC000299833077 562886056 /nfs/dbraw/zinc/88/60/56/562886056.db2.gz NUWLFDFFGNMWJQ-UHFFFAOYSA-N 0 3 553.220 5.268 1 0 KKAFHN COc1ccc(C(=O)NCCc2ccc(OC3CCN(C)CC3)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000299837776 562887602 /nfs/dbraw/zinc/88/76/02/562887602.db2.gz KSFWEWLFHCUAKP-UHFFFAOYSA-N 0 3 512.572 5.827 1 0 KKAFHN CCc1nc(C(=O)NCCCCCCNc2c3ccccc3nc3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299839005 562888029 /nfs/dbraw/zinc/88/80/29/562888029.db2.gz WUZJRHKAIFSDMM-UHFFFAOYSA-N 0 3 519.693 7.108 1 0 KKAFHN O=C(CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 ZINC000299860028 562892868 /nfs/dbraw/zinc/89/28/68/562892868.db2.gz GILOXFBEGDWWCD-UMSFTDKQSA-N 0 3 564.774 5.612 1 0 KKAFHN CN(C)Cc1ccc(-c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)cc1 ZINC000299864555 562894135 /nfs/dbraw/zinc/89/41/35/562894135.db2.gz MLSPTYFHHLAAEP-UHFFFAOYSA-N 0 3 559.645 6.166 1 0 KKAFHN C[C@H](CN(C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299866180 562894587 /nfs/dbraw/zinc/89/45/87/562894587.db2.gz OQCFGGOXRNFFJG-VTBMCNPUSA-N 0 3 545.683 5.790 1 0 KKAFHN C[C@H](CN(C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299866179 562894614 /nfs/dbraw/zinc/89/46/14/562894614.db2.gz OQCFGGOXRNFFJG-LQVDNHGOSA-N 0 3 545.683 5.790 1 0 KKAFHN O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000299866393 562894640 /nfs/dbraw/zinc/89/46/40/562894640.db2.gz OUGQNTQVGGYIQX-PMERELPUSA-N 0 3 516.730 5.040 1 0 KKAFHN CC1CCN(Cc2cc3ccccc3n2-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1 ZINC000299866527 562894654 /nfs/dbraw/zinc/89/46/54/562894654.db2.gz WCDMRJARWWWXGG-VWLOTQADSA-N 0 3 563.123 6.333 1 0 KKAFHN O=C(c1ccc(OCCN2CCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299867315 562894859 /nfs/dbraw/zinc/89/48/59/562894859.db2.gz QDLRHMZRLCCZQC-LABVJWKOSA-N 0 3 557.694 5.936 1 0 KKAFHN COc1cc2oc(-c3cccc(OCCCCN4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112086 562898653 /nfs/dbraw/zinc/89/86/53/562898653.db2.gz CXVAQFBJLQUWQV-UHFFFAOYSA-N 0 3 558.675 5.463 1 0 KKAFHN COc1ccccc1CN(C)CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473115876 562899127 /nfs/dbraw/zinc/89/91/27/562899127.db2.gz VAQPEVVEBZZHNB-UHFFFAOYSA-N 0 3 519.594 5.395 1 0 KKAFHN [NH3+]CCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000473135366 562900699 /nfs/dbraw/zinc/90/06/99/562900699.db2.gz OMOUUODZSWASMC-UHFFFAOYSA-N 0 3 570.045 5.751 1 0 KKAFHN [NH3+]CCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000473136149 562900928 /nfs/dbraw/zinc/90/09/28/562900928.db2.gz YCZFGAYDVLVGJT-UHFFFAOYSA-N 0 3 584.072 6.141 1 0 KKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)OCC3c4ccccc4-c4ccccc43)cc1)CC2 ZINC000473136921 562901131 /nfs/dbraw/zinc/90/11/31/562901131.db2.gz VDDMODPDYJRYGE-UHFFFAOYSA-N 0 3 653.779 7.918 1 0 KKAFHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000473152932 562901930 /nfs/dbraw/zinc/90/19/30/562901930.db2.gz XKVCLVBSFZEOMB-IOWSJCHKSA-N 0 3 521.661 5.237 1 0 KKAFHN COc1ccc2nc3c(c(NCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473154885 562902277 /nfs/dbraw/zinc/90/22/77/562902277.db2.gz MGRHULYUJRQSQW-JGCGQSQUSA-N 0 3 531.697 5.267 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473159092 562902649 /nfs/dbraw/zinc/90/26/49/562902649.db2.gz GAPYLQYHVCOVEC-SXSPYAJSSA-N 0 3 550.099 5.321 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473159092 562902650 /nfs/dbraw/zinc/90/26/50/562902650.db2.gz GAPYLQYHVCOVEC-SXSPYAJSSA-N 0 3 550.099 5.321 1 0 KKAFHN CC[NH+](CC)C[C@H]1CC[C@H](Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c([O-])c(OC)c4)cc32)CC1 ZINC000473179788 562903504 /nfs/dbraw/zinc/90/35/04/562903504.db2.gz ZIHDSIALAURIIH-XYWHTSSQSA-N 0 3 510.078 6.206 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)CC(C)C)c(N[C@H]4CC[C@H]([NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000473200890 562903802 /nfs/dbraw/zinc/90/38/02/562903802.db2.gz JDYQGZNDVPWOBA-MEMLXQNLSA-N 0 3 510.078 6.205 1 0 KKAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000473201020 562903812 /nfs/dbraw/zinc/90/38/12/562903812.db2.gz PYEKSCSBXYVZAI-CYWCHRQTSA-N 0 3 508.062 5.816 1 0 KKAFHN CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000473224155 562904154 /nfs/dbraw/zinc/90/41/54/562904154.db2.gz NHYWUCOSILIYIJ-JDXGNMNLSA-N 0 3 654.755 5.027 1 0 KKAFHN N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@H](CCC(=O)N(C[C@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233225 562904482 /nfs/dbraw/zinc/90/44/82/562904482.db2.gz MWPFNYBDOHKZHA-WXGMZPBLSA-N 0 3 585.793 6.810 1 0 KKAFHN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Cl)cc4)C(C)C)ccc3C2)cc1 ZINC000474609880 562905727 /nfs/dbraw/zinc/90/57/27/562905727.db2.gz WOOJNWRKEYERQH-UHFFFAOYSA-N 0 3 540.129 5.036 1 0 KKAFHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653693922 562906912 /nfs/dbraw/zinc/90/69/12/562906912.db2.gz PXAROTAYNWZPHR-UHFFFAOYSA-N 0 3 539.533 6.547 1 0 KKAFHN CC(=O)N1CCN([C@H]2CC[C@H](c3cc(OC4CC4)c(Nc4ncc(Cl)c(Nc5cn(C)nc5S(=O)(=O)C(C)C)n4)cc3C)CC2)CC1 ZINC000653735962 562909716 /nfs/dbraw/zinc/90/97/16/562909716.db2.gz FNHUSQPNRSRGMK-RQNOJGIXSA-N 0 3 685.295 5.573 1 0 KKAFHN CCCCCCc1ccc(NC(=O)Oc2cccc(CN(C)CCCOc3ccc4ccc(=O)oc4c3)c2)cc1 ZINC000653823153 562914243 /nfs/dbraw/zinc/91/42/43/562914243.db2.gz NHQAJSNDGMKMKP-UHFFFAOYSA-N 0 3 542.676 7.428 1 0 KKAFHN CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(CN)n2)CC1 ZINC000653846608 562915263 /nfs/dbraw/zinc/91/52/63/562915263.db2.gz VJMLSEYIFUGJLR-NSJVFKKDSA-N 0 3 693.689 6.265 1 0 KKAFHN CC(=O)Nc1ccc2c3c1cccc3C(=O)N(CCCCN1CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC1)C2=O ZINC000653916416 562917920 /nfs/dbraw/zinc/91/79/20/562917920.db2.gz WCNVCGGOZIHRLK-UHFFFAOYSA-N 0 3 632.740 6.288 1 0 KKAFHN COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C ZINC000085509425 565133366 /nfs/dbraw/zinc/13/33/66/565133366.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 0 3 622.762 7.162 1 0 biogenic,in-vitro KKAFHN