smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4Cc4cc[nH+]c(N)c4)C(=O)O/C5=C\CCC4CCCCC4)[C@@H]32)CCCC1 ZINC000085571185 291920522 /nfs/dbraw/zinc/92/05/22/291920522.db2.gz JWFICLJQCKKQDN-HNSVFQSDSA-N 1 2 608.823 8.448 1 0 biogenic,in-vitro KKAFLO O=C(c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003915008 561684642 /nfs/dbraw/zinc/68/46/42/561684642.db2.gz HVICCLWOVOURCK-UHFFFAOYSA-N 1 2 575.012 5.797 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@@H](OC(=O)CC)C(C)C)O[C@@H](OC(=O)CC)C(C)C ZINC000003920912 561685795 /nfs/dbraw/zinc/68/57/95/561685795.db2.gz PCIXYACOCPEPNF-PFWPXWJXSA-N 1 2 690.771 5.978 1 0 KKAFLO CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000013451499 561713334 /nfs/dbraw/zinc/71/33/34/561713334.db2.gz NBYHIWHJHSSPFZ-UHFFFAOYSA-N 1 2 517.695 5.487 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCn3cc[nH+]c3)c3ccccc23)cc1 ZINC000013528349 561717383 /nfs/dbraw/zinc/71/73/83/561717383.db2.gz FJPAWJIHSPCJMR-UHFFFAOYSA-N 1 2 508.626 6.551 1 0 KKAFLO CC(C)(C)c1cc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)n(-c2ccccc2)n1 ZINC000013528339 561717385 /nfs/dbraw/zinc/71/73/85/561717385.db2.gz IDTKLCNLVPKYPA-UHFFFAOYSA-N 1 2 513.642 5.678 1 0 KKAFLO CCCCCNC(=O)Nc1c(NS(C)(=O)=O)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827630 561733010 /nfs/dbraw/zinc/73/30/10/561733010.db2.gz ARIBSXNMHLBQAA-UHFFFAOYSA-N 1 2 513.664 5.011 1 0 KKAFLO O=C1NCc2c(nc(NN3CCOCC3)[nH+]c2-c2ccccc2Cl)N1c1c(Cl)cccc1Cl ZINC000014962970 561748687 /nfs/dbraw/zinc/74/86/87/561748687.db2.gz VNHLWZGSTYGYHE-UHFFFAOYSA-N 1 2 505.793 5.124 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C2=[NH+]CCO2)C(C)(C)C)c1Cl ZINC000014963109 561748856 /nfs/dbraw/zinc/74/88/56/561748856.db2.gz HCLMXXFGPOTPOI-UHFFFAOYSA-N 1 2 610.951 6.603 1 0 KKAFLO O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017544742 561755547 /nfs/dbraw/zinc/75/55/47/561755547.db2.gz QBZOTSSZPAPGMK-NEEKEDPPSA-N 1 2 610.629 5.202 3 0 KKAFLO COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545752 561756006 /nfs/dbraw/zinc/75/60/06/561756006.db2.gz IVIQLQYHGWCLME-LOSJGSFVSA-N 1 2 607.700 5.033 3 0 KKAFLO COc1cc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545836 561756113 /nfs/dbraw/zinc/75/61/13/561756113.db2.gz CVEWLSOQFGTQPI-IZZNHLLZSA-N 1 2 620.743 5.091 3 0 KKAFLO O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2c[nH+]c[nH]2)[C@@H](CCc2ccccc2)C1 ZINC000025980816 561763842 /nfs/dbraw/zinc/76/38/42/561763842.db2.gz YAXSUZMCTBTSBP-DEOSSOPVSA-N 1 2 541.504 5.929 1 0 KKAFLO O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2c[nH]c[nH+]2)[C@@H](CCc2ccccc2)C1 ZINC000025980816 561763843 /nfs/dbraw/zinc/76/38/43/561763843.db2.gz YAXSUZMCTBTSBP-DEOSSOPVSA-N 1 2 541.504 5.929 1 0 KKAFLO Cc1[nH+]c[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1CCc1ccccc1 ZINC000025981910 561763949 /nfs/dbraw/zinc/76/39/49/561763949.db2.gz ATCZOHKTHRESBW-QHCPKHFHSA-N 1 2 555.531 6.237 1 0 KKAFLO Cc1[nH+]c[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025981368 561764003 /nfs/dbraw/zinc/76/40/03/561764003.db2.gz WWSSVYKRGKBYSL-NDEPHWFRSA-N 1 2 542.749 6.228 1 0 KKAFLO O=C(Nc1ccc(F)cc1F)N(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CC[NH+]1CCOCC1 ZINC000026019262 561766624 /nfs/dbraw/zinc/76/66/24/561766624.db2.gz RZMLTZOLNVZUSC-UHFFFAOYSA-N 1 2 605.755 7.151 1 0 KKAFLO CC(C)c1c[nH+]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)[nH]1 ZINC000026489736 561793023 /nfs/dbraw/zinc/79/30/23/561793023.db2.gz NFRWMVLABDZMDS-LVPKLHHISA-N 1 2 610.799 6.289 1 0 KKAFLO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000026571627 561798127 /nfs/dbraw/zinc/79/81/27/561798127.db2.gz FLCHWTIQFVHCMK-JSOSNVBQSA-N 1 2 582.745 6.970 1 0 KKAFLO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 ZINC000026580314 561805758 /nfs/dbraw/zinc/80/57/58/561805758.db2.gz JOCSJNBEXFKNIX-GWEXNCIJSA-N 1 2 605.653 6.084 1 0 KKAFLO O=S(=O)(c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH+]c[nH]1 ZINC000026657100 561809561 /nfs/dbraw/zinc/80/95/61/561809561.db2.gz DDUFWAMELUODIZ-UHFFFAOYSA-N 1 2 588.536 5.616 1 0 KKAFLO O=S(=O)(c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]c[nH+]1 ZINC000026657100 561809562 /nfs/dbraw/zinc/80/95/62/561809562.db2.gz DDUFWAMELUODIZ-UHFFFAOYSA-N 1 2 588.536 5.616 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 ZINC000026653471 561808788 /nfs/dbraw/zinc/80/87/88/561808788.db2.gz NFFXHMGFNMFNEE-VWLOTQADSA-N 1 2 535.669 5.889 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 ZINC000026653471 561808790 /nfs/dbraw/zinc/80/87/90/561808790.db2.gz NFFXHMGFNMFNEE-VWLOTQADSA-N 1 2 535.669 5.889 1 0 KKAFLO O=C1N(CCN2CC[NH+]([C@H]3C[C@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668423 561811760 /nfs/dbraw/zinc/81/17/60/561811760.db2.gz IYXNMOCEVXJKKO-PXJZQJOASA-N 1 2 519.064 5.616 1 0 KKAFLO O=C1N(CC[NH+]2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668423 561811762 /nfs/dbraw/zinc/81/17/62/561811762.db2.gz IYXNMOCEVXJKKO-PXJZQJOASA-N 1 2 519.064 5.616 1 0 KKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674606 561813579 /nfs/dbraw/zinc/81/35/79/561813579.db2.gz XIFNDLZEADZPOZ-YADHBBJMSA-N 1 2 533.713 6.691 1 0 KKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674606 561813581 /nfs/dbraw/zinc/81/35/81/561813581.db2.gz XIFNDLZEADZPOZ-YADHBBJMSA-N 1 2 533.713 6.691 1 0 KKAFLO Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000026835590 561824208 /nfs/dbraw/zinc/82/42/08/561824208.db2.gz BISNMZYFKZOCAT-UHFFFAOYSA-N 1 2 506.393 5.435 1 0 KKAFLO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2 ZINC000026964869 561829970 /nfs/dbraw/zinc/82/99/70/561829970.db2.gz NSEGOJXLVQTIAC-IVHROCDYSA-N 1 2 614.808 6.712 1 0 KKAFLO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2 ZINC000026964869 561829972 /nfs/dbraw/zinc/82/99/72/561829972.db2.gz NSEGOJXLVQTIAC-IVHROCDYSA-N 1 2 614.808 6.712 1 0 KKAFLO CC1=NC(=O)N(C(=O)OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026967744 561830015 /nfs/dbraw/zinc/83/00/15/561830015.db2.gz NQZHGOYXVGZNDV-VWLOTQADSA-N 1 2 594.030 6.452 1 0 KKAFLO CC1=NC(=O)N(C(=O)OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026967735 561830066 /nfs/dbraw/zinc/83/00/66/561830066.db2.gz NQZHGOYXVGZNDV-RUZDIDTESA-N 1 2 594.030 6.452 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(C(=O)OC)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027201989 561845357 /nfs/dbraw/zinc/84/53/57/561845357.db2.gz SYZQJPQJGIMIKE-USHMODERSA-N 1 2 586.689 5.453 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCc2cccs2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027205898 561845956 /nfs/dbraw/zinc/84/59/56/561845956.db2.gz VSMGOFRCGPPMFC-XHPQRKPJSA-N 1 2 548.709 5.770 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027522708 561864620 /nfs/dbraw/zinc/86/46/20/561864620.db2.gz ZQCPQPVEHGBNPZ-UHFFFAOYSA-N 1 2 592.970 7.613 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027522708 561864621 /nfs/dbraw/zinc/86/46/21/561864621.db2.gz ZQCPQPVEHGBNPZ-UHFFFAOYSA-N 1 2 592.970 7.613 1 0 KKAFLO CC(C)(C)N(Cc1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027848027 561885724 /nfs/dbraw/zinc/88/57/24/561885724.db2.gz KBIOBBAHXDKGCO-VWLOTQADSA-N 1 2 569.599 7.098 1 0 KKAFLO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000027857007 561886639 /nfs/dbraw/zinc/88/66/39/561886639.db2.gz KQMGYOWNUFZGRP-YTTGMZPUSA-N 1 2 615.778 5.369 1 0 KKAFLO C[C@H](c1ccccc1)N(C)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027858988 561886873 /nfs/dbraw/zinc/88/68/73/561886873.db2.gz JVABEZOAMJQXKF-DVECYGJZSA-N 1 2 541.545 6.490 1 0 KKAFLO CCN(c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1)[C@H](C)c1ccccc1 ZINC000027858964 561886892 /nfs/dbraw/zinc/88/68/92/561886892.db2.gz UOMMLBNRUZMIFB-CJFMBICVSA-N 1 2 555.572 6.880 1 0 KKAFLO COc1ccccc1CN(C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(C)=O ZINC000027864721 561887551 /nfs/dbraw/zinc/88/75/51/561887551.db2.gz PDJRNVXFLCXTET-NDEPHWFRSA-N 1 2 569.533 5.030 1 0 KKAFLO OCCOc1c(F)c(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000027870096 561888046 /nfs/dbraw/zinc/88/80/46/561888046.db2.gz XXUNPGQPYQVCEJ-UHFFFAOYSA-N 1 2 591.530 5.287 1 0 KKAFLO FC(F)(F)CC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1 ZINC000028331061 561912712 /nfs/dbraw/zinc/91/27/12/561912712.db2.gz KRYGUKXOSONLGA-UHFFFAOYSA-N 1 2 562.794 8.820 1 0 KKAFLO FC(F)(F)CC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1 ZINC000028331061 561912713 /nfs/dbraw/zinc/91/27/13/561912713.db2.gz KRYGUKXOSONLGA-UHFFFAOYSA-N 1 2 562.794 8.820 1 0 KKAFLO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)OCC[NH+]4CCOCC4)cc3)nc21 ZINC000028336325 561913381 /nfs/dbraw/zinc/91/33/81/561913381.db2.gz PPHGTZJCHWQRLA-UHFFFAOYSA-N 1 2 596.515 5.244 1 0 KKAFLO Cc1ccc(C)c(N2CCN(c3cc(-c4ccc(Sc5ccccc5C(C)C)c(C(F)(F)F)c4)cc[nH+]3)CC2)c1 ZINC000028348107 561915141 /nfs/dbraw/zinc/91/51/41/561915141.db2.gz FXBPLCLDCQWLEQ-UHFFFAOYSA-N 1 2 561.717 8.985 1 0 KKAFLO OCCC1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1 ZINC000028357088 561916294 /nfs/dbraw/zinc/91/62/94/561916294.db2.gz ZMYOKTHPJKLGOG-UHFFFAOYSA-N 1 2 516.585 6.289 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCCN1[C@@H]1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21 ZINC000028396689 561923182 /nfs/dbraw/zinc/92/31/82/561923182.db2.gz RTIZDEKMFQRQBY-DHLKQENFSA-N 1 2 621.805 5.706 1 0 KKAFLO COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)[NH2+]C23CCCCCC3)c1 ZINC000028520592 561928990 /nfs/dbraw/zinc/92/89/90/561928990.db2.gz BSUZSOZFXWWKID-FIPFOOKPSA-N 1 2 500.687 5.918 1 0 KKAFLO CCCC[NH+](CCCC)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N[C@H](C)CCc3ccccc3)c2F)c(C(=O)[O-])c1 ZINC000028525158 561931089 /nfs/dbraw/zinc/93/10/89/561931089.db2.gz ICUXHUHRHVYDKJ-XMMPIXPASA-N 1 2 659.778 8.766 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4c[nH+]cn4CCC)cc2)CCN3CC(C)C)cc1 ZINC000028570775 561938980 /nfs/dbraw/zinc/93/89/80/561938980.db2.gz RRVNVNTZDUESSJ-ANFMRNGASA-N 1 2 682.931 8.352 1 0 in-vitro KKAFLO CCCOc1ccc([C@@H](O)CNc2cc[nH]c(=O)c2-c2nc3cc(-n4cc[nH+]c4)cc(C)c3[nH]2)cc1Cl ZINC000028703576 561947754 /nfs/dbraw/zinc/94/77/54/561947754.db2.gz QCLLJBIDXQRZLO-QFIPXVFZSA-N 1 2 519.005 5.000 1 0 KKAFLO N=C(Nc1ccccc1)Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])Nc4ccccc4)cc3)s2)cc1 ZINC000028707679 561950042 /nfs/dbraw/zinc/95/00/42/561950042.db2.gz NGQUOKUCKDGULI-UHFFFAOYSA-N 1 2 502.647 8.000 1 0 KKAFLO O=C(NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000028822133 561966607 /nfs/dbraw/zinc/96/66/07/561966607.db2.gz SCKBACCQEVZMLT-UHFFFAOYSA-N 1 2 627.794 7.137 1 0 KKAFLO CCOC(=O)N1CC[NH+](Cc2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N[C@@H](C)c3ccccc3)n2)CC1 ZINC000028822163 561966693 /nfs/dbraw/zinc/96/66/93/561966693.db2.gz AJZCTCDERKJLAC-QHCPKHFHSA-N 1 2 579.680 6.045 1 0 KKAFLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887157 561977700 /nfs/dbraw/zinc/97/77/00/561977700.db2.gz WNSCAPMZDVVSEC-NDEPHWFRSA-N 1 2 576.484 5.946 1 0 KKAFLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887157 561977702 /nfs/dbraw/zinc/97/77/02/561977702.db2.gz WNSCAPMZDVVSEC-NDEPHWFRSA-N 1 2 576.484 5.946 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cn1 ZINC000028899821 561979662 /nfs/dbraw/zinc/97/96/62/561979662.db2.gz IRJNKEVLQRRUSA-UHFFFAOYSA-N 1 2 575.717 6.565 1 0 KKAFLO Nc1ccccc1NC(=O)c1cc2ccc([C@@H](C(=O)NCc3ccccc3)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2s1 ZINC000028976407 561986915 /nfs/dbraw/zinc/98/69/15/561986915.db2.gz UUIOKFLHJRXPAQ-AJPIAVEZSA-N 1 2 615.803 6.424 1 0 KKAFLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(NCCC[NH+]3CCOCC3)sc2c1 ZINC000029126292 561998501 /nfs/dbraw/zinc/99/85/01/561998501.db2.gz JTCRDXWCVRVWES-UHFFFAOYSA-N 1 2 597.663 6.262 1 0 KKAFLO CCNC(=O)Nc1nc2ccc(C(=O)Nc3cc(NC(=O)c4cc(-n5c[nH+]c(C)c5)cc(C(F)(F)F)c4)ccc3C)cc2s1 ZINC000029126753 561998913 /nfs/dbraw/zinc/99/89/13/561998913.db2.gz FTLNCSTYWZOJFR-UHFFFAOYSA-N 1 2 621.645 6.764 1 0 KKAFLO Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)c5ccc(C[NH+]6CCOCC6)cc5)c(C)c34)c2F)[nH]1 ZINC000029134196 562003971 /nfs/dbraw/zinc/00/39/71/562003971.db2.gz GXDXMFULVFXRPT-HXUWFJFHSA-N 1 2 573.625 5.215 1 0 KKAFLO O=C(OCc1ccccc1)C(CCCCn1c[nH+]c2c1NC=NC[C@H]2O)(Cc1ccccc1C(F)(F)F)C(=O)OCc1ccccc1 ZINC000029317617 562012648 /nfs/dbraw/zinc/01/26/48/562012648.db2.gz LEOPXRJBSSRVGZ-GDLZYMKVSA-N 1 2 648.682 6.275 1 0 KKAFLO CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C ZINC000029347220 562016447 /nfs/dbraw/zinc/01/64/47/562016447.db2.gz HMHDZBAQEVCMQF-QNRWOPMTSA-N 1 2 621.823 5.054 1 0 KKAFLO CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C ZINC000029347220 562016448 /nfs/dbraw/zinc/01/64/48/562016448.db2.gz HMHDZBAQEVCMQF-QNRWOPMTSA-N 1 2 621.823 5.054 1 0 KKAFLO COc1ccc(-c2nc(SCCOCCn3c(C)[nH+]c4ccccc43)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000029466404 562024510 /nfs/dbraw/zinc/02/45/10/562024510.db2.gz WXBORRYYXDPRTL-UHFFFAOYSA-N 1 2 514.651 6.228 1 0 KKAFLO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3cccc(Cl)c3Cl)CC2)c2ccccc21 ZINC000029544551 562029418 /nfs/dbraw/zinc/02/94/18/562029418.db2.gz GNHUJOIJYZOGIY-SANMLTNESA-N 1 2 602.584 5.008 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755076 562037621 /nfs/dbraw/zinc/03/76/21/562037621.db2.gz CBNGIDPDOUWHDP-FCHUYYIVSA-N 1 2 515.760 7.043 1 0 KKAFLO CCCCC(=O)N(C/C=C/c1ccccc1OC)CC[NH+]1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000035004265 562044306 /nfs/dbraw/zinc/04/43/06/562044306.db2.gz FLUGUDNSFDQSJP-VQHVLOKHSA-N 1 2 536.761 5.023 1 0 KKAFLO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](Cc3cccc4c3OCO4)CC2)c2ccccc21)c1ccccc1Cl ZINC000036188210 562050875 /nfs/dbraw/zinc/05/08/75/562050875.db2.gz YVMPAPDNKUMXOU-UHFFFAOYSA-N 1 2 600.506 6.415 1 0 KKAFLO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](Cc3ccccc3F)CC2)c2ccccc21)c1ccccc1Cl ZINC000036188224 562050905 /nfs/dbraw/zinc/05/09/05/562050905.db2.gz ZNTONPVDCMBCJJ-UHFFFAOYSA-N 1 2 574.487 6.825 1 0 KKAFLO Cc1ccccc1NC(=O)NCc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1 ZINC000036338824 562057362 /nfs/dbraw/zinc/05/73/62/562057362.db2.gz IKKIBNZCYWKUSQ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1 ZINC000036338824 562057364 /nfs/dbraw/zinc/05/73/64/562057364.db2.gz IKKIBNZCYWKUSQ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1ccccc1Cl ZINC000036338851 562057384 /nfs/dbraw/zinc/05/73/84/562057384.db2.gz LPMGFAMWKXULFT-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1ccccc1Cl ZINC000036338851 562057385 /nfs/dbraw/zinc/05/73/85/562057385.db2.gz LPMGFAMWKXULFT-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1ccccc1Cl ZINC000036338851 562057386 /nfs/dbraw/zinc/05/73/86/562057386.db2.gz LPMGFAMWKXULFT-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(-c5cn[nH]c(=O)c5)c4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000038146660 562065295 /nfs/dbraw/zinc/06/52/95/562065295.db2.gz JVLXCXDSEDRLFA-UHFFFAOYSA-N 1 2 572.547 5.763 3 0 KKAFLO O=c1c2sc(-c3ccc(C(F)(F)F)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCOCC3)ccc2c1 ZINC000038149744 562066207 /nfs/dbraw/zinc/06/62/07/562066207.db2.gz BRFIOHPKDKTWFM-UHFFFAOYSA-N 1 2 522.552 5.513 1 0 KKAFLO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc(Cl)cc1 ZINC000040391522 562073524 /nfs/dbraw/zinc/07/35/24/562073524.db2.gz PICZNVGMVOWDMN-PKKBEUKGSA-N 1 2 500.082 7.471 1 0 KKAFLO COc1cc(CCC(=O)C=C(O)CCCC2CCCCC2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631453 560067998 /nfs/dbraw/zinc/06/79/98/560067998.db2.gz ZREWHKULNLLEKY-JUKUECOXSA-N 1 2 598.764 6.084 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(O)=CC(=O)CCCC2CCCCC2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631453 560068000 /nfs/dbraw/zinc/06/80/00/560068000.db2.gz ZREWHKULNLLEKY-JUKUECOXSA-N 1 2 598.764 6.084 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C([C@H](CCCO)c3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571180 560069900 /nfs/dbraw/zinc/06/99/00/560069900.db2.gz BULPQXLZODHNLS-ZVDGWISZSA-N 1 2 598.784 7.201 1 0 biogenic,in-vitro KKAFLO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3c(cc5c(c3OC)C(=NCC5)C2)O4)CC[N@H+]1C ZINC000085529923 560073531 /nfs/dbraw/zinc/07/35/31/560073531.db2.gz LDNLPQJLCPARJX-AREMUKBSSA-N 1 2 590.676 7.076 1 0 biogenic,in-vitro KKAFLO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3c(cc5c(c3OC)C(=NCC5)C2)O4)CC[N@@H+]1C ZINC000085529923 560073533 /nfs/dbraw/zinc/07/35/33/560073533.db2.gz LDNLPQJLCPARJX-AREMUKBSSA-N 1 2 590.676 7.076 1 0 biogenic,in-vitro KKAFLO C[C@H](Nc1cc(NC2CCCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043058973 562645059 /nfs/dbraw/zinc/64/50/59/562645059.db2.gz KTTNGTCCTJDBIM-MHECFPHRSA-N 1 2 513.911 7.464 1 0 KKAFLO C[C@H](Nc1cc(NC2CCCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043058973 562645060 /nfs/dbraw/zinc/64/50/60/562645060.db2.gz KTTNGTCCTJDBIM-MHECFPHRSA-N 1 2 513.911 7.464 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)nn1)OC1CCCC1 ZINC000043649323 562650617 /nfs/dbraw/zinc/65/06/17/562650617.db2.gz KGQSNISRVHHJMF-HEVIKAOCSA-N 1 2 593.772 5.826 1 0 KKAFLO COc1cccc(C(=O)N[C@@H]2CCC[C@@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000044031726 562651571 /nfs/dbraw/zinc/65/15/71/562651571.db2.gz FCRQRXBCUSWSEF-GGXMVOPNSA-N 1 2 586.733 5.434 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000044305237 562653373 /nfs/dbraw/zinc/65/33/73/562653373.db2.gz XLAYTQSXXHBEQX-YJNPBZNESA-N 1 2 596.680 5.972 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000044305237 562653374 /nfs/dbraw/zinc/65/33/74/562653374.db2.gz XLAYTQSXXHBEQX-YJNPBZNESA-N 1 2 596.680 5.972 1 0 KKAFLO C[C@H](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044305718 562653544 /nfs/dbraw/zinc/65/35/44/562653544.db2.gz AYRFGWPBDRGHFF-WCLVQGQUSA-N 1 2 521.790 6.166 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc([C@@H](NC(=O)N(C)C)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000044351883 562654902 /nfs/dbraw/zinc/65/49/02/562654902.db2.gz TWIHIHMDOCRFES-LJAQVGFWSA-N 1 2 583.620 5.305 1 0 KKAFLO CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(-n5c[nH+]c(C)c5)cc(C(F)(F)F)c4)ccc3C)ccnc12 ZINC000044352606 562655241 /nfs/dbraw/zinc/65/52/41/562655241.db2.gz LJJQGDYOJGCUDT-UHFFFAOYSA-N 1 2 559.548 7.059 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4ccccc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000044405995 562656769 /nfs/dbraw/zinc/65/67/69/562656769.db2.gz WAMZPADKKRSGLD-WXGMZPBLSA-N 1 2 618.605 6.542 1 0 KKAFLO C[C@H](CN1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167525 562658049 /nfs/dbraw/zinc/65/80/49/562658049.db2.gz KBBTZNWIQSYFEJ-LJQANCHMSA-N 1 2 521.587 5.738 1 0 KKAFLO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000045366090 562662035 /nfs/dbraw/zinc/66/20/35/562662035.db2.gz JDFLEUYRGZPZQD-JGCGQSQUSA-N 1 2 528.618 7.161 1 0 KKAFLO Cc1cc2[nH+]c(N3C[C@H](C)C[C@@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045387391 562662425 /nfs/dbraw/zinc/66/24/25/562662425.db2.gz KHKKQMMUVKMKGC-WOJBJXKFSA-N 1 2 503.731 7.319 1 0 KKAFLO Cc1cc2[nH+]c(N3C[C@@H](C)C[C@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045387388 562662429 /nfs/dbraw/zinc/66/24/29/562662429.db2.gz KHKKQMMUVKMKGC-PMACEKPBSA-N 1 2 503.731 7.319 1 0 KKAFLO Cc1ccc(CNC(=O)CC(C)(C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045388421 562662483 /nfs/dbraw/zinc/66/24/83/562662483.db2.gz BVRIVEXUJSALFS-HKBQPEDESA-N 1 2 532.128 6.005 1 0 KKAFLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]cc(C(=O)NCc1ccc(OC(C)C)cc1)c2Nc1ccccc1C(C)(C)C ZINC000048308822 562663124 /nfs/dbraw/zinc/66/31/24/562663124.db2.gz CIUUDDYPBATRJF-UHFFFAOYSA-N 1 2 562.714 8.265 1 0 KKAFLO Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000049032274 562663364 /nfs/dbraw/zinc/66/33/64/562663364.db2.gz XJPZZAAKTVLITO-UHFFFAOYSA-N 1 2 504.381 6.009 1 0 KKAFLO O=C(Nc1nc2cc(S(=O)(=O)NCc3ccc(Cl)c(Cl)c3)ccc2n1CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000049605409 562665863 /nfs/dbraw/zinc/66/58/63/562665863.db2.gz PIDMHXXOGXFWAQ-UHFFFAOYSA-N 1 2 617.946 6.014 1 0 KKAFLO CCCCOc1cc(C)nc2ccc(NC(=O)COCC(=O)Nc3ccc4[nH+]c(C)cc(OCCCC)c4c3)cc21 ZINC000049605564 562666003 /nfs/dbraw/zinc/66/60/03/562666003.db2.gz ICWINDHZIXFFKK-UHFFFAOYSA-N 1 2 558.679 6.351 1 0 KKAFLO CN(c1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1)c1cc[nH+]c(NCCOC(=O)Nc2cc(C(C)(C)C)on2)n1 ZINC000049626286 562667098 /nfs/dbraw/zinc/66/70/98/562667098.db2.gz CZEMSRLCQXLVGJ-UHFFFAOYSA-N 1 2 591.673 6.120 1 0 KKAFLO Cn1c[nH+]cc1CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21 ZINC000049626532 562667232 /nfs/dbraw/zinc/66/72/32/562667232.db2.gz UZVALJSHZGXTFY-UHFFFAOYSA-N 1 2 702.749 8.263 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4cc(-c5cccs5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049694437 562669332 /nfs/dbraw/zinc/66/93/32/562669332.db2.gz WZTFASVDMINVIL-UHFFFAOYSA-N 1 2 576.634 6.571 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)OCC)cc1 ZINC000049695144 562670209 /nfs/dbraw/zinc/67/02/09/562670209.db2.gz HMIBJCMIYOKVEY-LDLOPFEMSA-N 1 2 630.789 7.873 1 0 KKAFLO 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 562671827 /nfs/dbraw/zinc/67/18/27/562671827.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 1 2 610.105 5.961 1 0 KKAFLO 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 562671828 /nfs/dbraw/zinc/67/18/28/562671828.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 1 2 610.105 5.961 1 0 KKAFLO 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 562671829 /nfs/dbraw/zinc/67/18/29/562671829.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 1 2 610.105 5.961 1 0 KKAFLO 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 562671830 /nfs/dbraw/zinc/67/18/30/562671830.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N 1 2 610.105 5.961 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccccc3)[C@@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049723173 562673025 /nfs/dbraw/zinc/67/30/25/562673025.db2.gz JRVVQPOMTRWNQN-HQWRQGGSSA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccccc3)[C@@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049723173 562673026 /nfs/dbraw/zinc/67/30/26/562673026.db2.gz JRVVQPOMTRWNQN-HQWRQGGSSA-N 1 2 502.658 7.047 1 0 KKAFLO CC1CCN(C(=O)Nc2ccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)c(C(=O)c3ccccc3)c2)CC1 ZINC000049757453 562676024 /nfs/dbraw/zinc/67/60/24/562676024.db2.gz GNNGNCHIXHINKM-PMERELPUSA-N 1 2 553.707 5.109 1 0 KKAFLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761880 562676184 /nfs/dbraw/zinc/67/61/84/562676184.db2.gz DROQHOIPSJIPET-YTTGMZPUSA-N 1 2 546.671 5.026 1 0 KKAFLO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000049765561 562676968 /nfs/dbraw/zinc/67/69/68/562676968.db2.gz UBRKWDVBMWUPSI-VMPREFPWSA-N 1 2 677.189 5.772 1 0 KKAFLO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000049765561 562676969 /nfs/dbraw/zinc/67/69/69/562676969.db2.gz UBRKWDVBMWUPSI-VMPREFPWSA-N 1 2 677.189 5.772 1 0 KKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCC(F)(F)F)Cc4ccc(Cl)cc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049777187 562679750 /nfs/dbraw/zinc/67/97/50/562679750.db2.gz CDERQIYELZQBMK-UHFFFAOYSA-N 1 2 577.400 8.330 1 0 KKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCC(F)(F)F)Cc4ccc(Cl)cc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049777187 562679751 /nfs/dbraw/zinc/67/97/51/562679751.db2.gz CDERQIYELZQBMK-UHFFFAOYSA-N 1 2 577.400 8.330 1 0 KKAFLO COc1cccc(C(=O)N(Cc2cccc(Cl)c2)[C@H]2CCC[C@@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000049778256 562681068 /nfs/dbraw/zinc/68/10/68/562681068.db2.gz ZFKKQNZVKREWGF-KUFVUHJUSA-N 1 2 711.303 8.000 1 0 KKAFLO COc1cccc(C(=O)N(Cc2cccc(Cl)c2)[C@H]2CCC[C@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000049778254 562681087 /nfs/dbraw/zinc/68/10/87/562681087.db2.gz ZFKKQNZVKREWGF-IKYOIFQTSA-N 1 2 711.303 8.000 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(F)ccc(Cl)c4F)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049841256 562688170 /nfs/dbraw/zinc/68/81/70/562688170.db2.gz MXDWTZSNRKENIG-KPURRNSFSA-N 1 2 691.002 6.920 1 0 KKAFLO Cc1cccc(-n2nc(C(C)(C)C)cc2C(=O)C(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000049878302 562690538 /nfs/dbraw/zinc/69/05/38/562690538.db2.gz CNYNQSVRNIKYBV-UHFFFAOYSA-N 1 2 540.664 5.164 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(Cl)cc(F)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049889028 562691719 /nfs/dbraw/zinc/69/17/19/562691719.db2.gz ZSHVADVPUORESR-OOWIMERYSA-N 1 2 705.485 7.988 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@H](OC(=O)CC)C(C)C)O[C@H](OC(=O)CC)C(C)C ZINC000049902412 562693307 /nfs/dbraw/zinc/69/33/07/562693307.db2.gz PCIXYACOCPEPNF-SRDHANCCSA-N 1 2 690.771 5.978 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@H](OC(=O)C(C)C)C(C)C)O[C@H](OC(=O)C(C)C)C(C)C ZINC000049902547 562693332 /nfs/dbraw/zinc/69/33/32/562693332.db2.gz OOTTWKGUYINAQT-LJDVJVEBSA-N 1 2 718.825 6.470 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@H](OC(=O)C(C)C)C(C)C)O[C@H](OC(=O)C(C)C)C(C)C ZINC000049902546 562693334 /nfs/dbraw/zinc/69/33/34/562693334.db2.gz OOTTWKGUYINAQT-YCVOQXJTSA-N 1 2 718.825 6.470 1 0 KKAFLO COc1cc(C(C)C)nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5[nH+]c(C(C)C)cc(OC)c5c4)cc3)cc21 ZINC000049917569 562693574 /nfs/dbraw/zinc/69/35/74/562693574.db2.gz FPJPLSVBQKSYQX-UHFFFAOYSA-N 1 2 562.670 7.552 1 0 KKAFLO COCCNc1cc(-n2c3ccccc3[nH+]c2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049925475 562694705 /nfs/dbraw/zinc/69/47/05/562694705.db2.gz WLXHZMYOVDOALX-UHFFFAOYSA-N 1 2 561.568 6.197 1 0 KKAFLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000049938310 562695186 /nfs/dbraw/zinc/69/51/86/562695186.db2.gz RXZODQSLCIFTMK-ZUBDYPCQSA-N 1 2 674.886 7.657 1 0 KKAFLO COc1cc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000053070705 562696182 /nfs/dbraw/zinc/69/61/82/562696182.db2.gz MJSIQIQTEIQMNA-UHFFFAOYSA-N 1 2 555.000 6.128 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COc2ccc3ccccc3c2)cc1 ZINC000053133139 562696317 /nfs/dbraw/zinc/69/63/17/562696317.db2.gz YNZFVUGNLOWSTD-MUUNZHRXSA-N 1 2 526.633 5.218 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(/C=C/n4cnc5c4ncnc5N)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000053314009 562697664 /nfs/dbraw/zinc/69/76/64/562697664.db2.gz FVVZGHAJQOKULY-AATRIKPKSA-N 1 2 518.503 5.110 1 0 KKAFLO COc1cc(C[C@@H]2[NH2+]CC3=Cc4c(OC)c(C)c(OC)c(OC)c4[C@H](COC(=O)c4cccc5ccccc54)N3C2=O)c(OC)c(C)c1OC ZINC000058581265 562699791 /nfs/dbraw/zinc/69/97/91/562699791.db2.gz WXJPMFZNUQZENJ-KYJUHHDHSA-N 1 2 682.770 5.804 1 0 KKAFLO C[C@H]([NH2+]CCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058590579 562700287 /nfs/dbraw/zinc/70/02/87/562700287.db2.gz YQDOWZUXOISZGO-NRFANRHFSA-N 1 2 507.590 5.337 1 0 KKAFLO CC(C)C[C@H]([NH2+]CCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058592514 562700582 /nfs/dbraw/zinc/70/05/82/562700582.db2.gz WGXUJSSOSXTZNL-PMERELPUSA-N 1 2 549.671 6.363 1 0 KKAFLO Cn1cc(-c2ccc(F)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000059185971 562701849 /nfs/dbraw/zinc/70/18/49/562701849.db2.gz AWBQGALJVKBYPQ-MUUNZHRXSA-N 1 2 618.710 5.107 1 0 KKAFLO Cn1cc(-c2ccc(F)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000059185971 562701850 /nfs/dbraw/zinc/70/18/50/562701850.db2.gz AWBQGALJVKBYPQ-MUUNZHRXSA-N 1 2 618.710 5.107 1 0 KKAFLO Cn1cc(-c2ccc(F)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000059185972 562701852 /nfs/dbraw/zinc/70/18/52/562701852.db2.gz AWBQGALJVKBYPQ-NDEPHWFRSA-N 1 2 618.710 5.107 1 0 KKAFLO Cn1cc(-c2ccc(F)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000059185972 562701853 /nfs/dbraw/zinc/70/18/53/562701853.db2.gz AWBQGALJVKBYPQ-NDEPHWFRSA-N 1 2 618.710 5.107 1 0 KKAFLO Cc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(F)cc3Cl)cc2)C2CC2)c1C ZINC000059777389 562702289 /nfs/dbraw/zinc/70/22/89/562702289.db2.gz XLDLXPUSLZSYMR-MUUNZHRXSA-N 1 2 600.518 5.703 1 0 KKAFLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCCOc3cccc(NC(=O)NC45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 ZINC000066251477 562714471 /nfs/dbraw/zinc/71/44/71/562714471.db2.gz ZNRWTZCXNIEBRG-UHFFFAOYSA-N 1 2 580.795 5.251 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)cs4)c3)cc(C(C)(C)C)c2)c[nH+]1 ZINC000071296458 562717541 /nfs/dbraw/zinc/71/75/41/562717541.db2.gz YKDNQUNPTIJKCH-UHFFFAOYSA-N 1 2 522.678 7.301 1 0 KKAFLO Cc1ccc(-c2c[nH]c(-c3ccc4[nH+]c(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)n2)cc1 ZINC000071316520 562718008 /nfs/dbraw/zinc/71/80/08/562718008.db2.gz KKRPTECAKVQULR-UHFFFAOYSA-N 1 2 577.461 8.493 1 0 KKAFLO Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)[nH+]c3ccc(-c4nc5cc(F)ccc5[nH]4)cn32)cc1 ZINC000071329367 562718889 /nfs/dbraw/zinc/71/88/89/562718889.db2.gz XELXAFZQJMQQLE-UHFFFAOYSA-N 1 2 555.386 7.810 1 0 KKAFLO S=C1N=C2C(=Cc3ccccc3Br)C[N@H+](Cc3ccccc3)CC2[C@H](c2ccccc2Br)N1 ZINC000071416530 562720187 /nfs/dbraw/zinc/72/01/87/562720187.db2.gz MNEYMUGVHCOKOE-KPLKGUCASA-N 1 2 581.377 6.584 1 0 KKAFLO S=C1N=C2C(=Cc3ccccc3Br)C[N@@H+](Cc3ccccc3)CC2[C@H](c2ccccc2Br)N1 ZINC000071416530 562720188 /nfs/dbraw/zinc/72/01/88/562720188.db2.gz MNEYMUGVHCOKOE-KPLKGUCASA-N 1 2 581.377 6.584 1 0 KKAFLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101289 562720245 /nfs/dbraw/zinc/72/02/45/562720245.db2.gz DQUUEQRGCDHDRL-QFIPXVFZSA-N 1 2 544.521 5.047 1 0 KKAFLO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072105174 562720693 /nfs/dbraw/zinc/72/06/93/562720693.db2.gz WRMAMFPRJOZTFS-XMMPIXPASA-N 1 2 582.507 5.207 1 0 KKAFLO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072105173 562720717 /nfs/dbraw/zinc/72/07/17/562720717.db2.gz WRMAMFPRJOZTFS-DEOSSOPVSA-N 1 2 582.507 5.207 1 0 KKAFLO FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072136236 562727826 /nfs/dbraw/zinc/72/78/26/562727826.db2.gz UXTAYLODUMJYMD-SPNSGGJLSA-N 1 2 534.586 5.040 3 0 KKAFLO Cc1cccc(-c2ccc3[nH]c4c(c3c2)CC[N@H+]2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)NC3CCCCC3)C[C@@H]42)c1 ZINC000072137749 562728420 /nfs/dbraw/zinc/72/84/20/562728420.db2.gz XTBCIHUMQWTMOT-LUQUXWHUSA-N 1 2 514.714 5.786 3 0 KKAFLO Cc1cccc(-c2ccc3[nH]c4c(c3c2)CC[N@@H+]2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)NC3CCCCC3)C[C@@H]42)c1 ZINC000072137749 562728421 /nfs/dbraw/zinc/72/84/21/562728421.db2.gz XTBCIHUMQWTMOT-LUQUXWHUSA-N 1 2 514.714 5.786 3 0 KKAFLO CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147683 562729809 /nfs/dbraw/zinc/72/98/09/562729809.db2.gz OBZVMSKEVPNTKM-WDYNHAJCSA-N 1 2 673.081 6.976 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000072147724 562729823 /nfs/dbraw/zinc/72/98/23/562729823.db2.gz SVSUEWKNQNMUNQ-WDYNHAJCSA-N 1 2 661.070 7.271 1 0 KKAFLO CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)[nH+]c3)n2)s1 ZINC000072176538 562731649 /nfs/dbraw/zinc/73/16/49/562731649.db2.gz KJUCPVIVNLPLEE-UHFFFAOYSA-N 1 2 667.739 6.584 1 0 in-vitro KKAFLO Cc1c(=O)n(-c2ccccc2)n(C)c1-n1c2nc[nH+]c(Nc3ccccc3)c2c(-c2ccccc2)c1-c1ccccc1 ZINC000072178538 562732049 /nfs/dbraw/zinc/73/20/49/562732049.db2.gz DVOAGKVIZUHFSQ-UHFFFAOYSA-N 1 2 548.650 7.296 1 0 KKAFLO CCNC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 ZINC000072181722 562732738 /nfs/dbraw/zinc/73/27/38/562732738.db2.gz ZKKDLCWGYBNIIU-HKBQPEDESA-N 1 2 536.651 5.744 1 0 KKAFLO CC(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1 ZINC000072315645 562733066 /nfs/dbraw/zinc/73/30/66/562733066.db2.gz XZDBUFJDOOKECF-UHFFFAOYSA-N 1 2 571.616 6.010 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4F)n2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073220401 562736253 /nfs/dbraw/zinc/73/62/53/562736253.db2.gz ZQEYHWQFCPCHGS-UHFFFAOYSA-N 1 2 580.010 5.513 1 0 KKAFLO CC(C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000082136653 562738954 /nfs/dbraw/zinc/73/89/54/562738954.db2.gz MAJPEOBJMWLNPB-CMDGGOBGSA-N 1 2 659.791 5.693 1 0 KKAFLO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140700 562739531 /nfs/dbraw/zinc/73/95/31/562739531.db2.gz HQIOPMIUCLTZQV-SSEXGKCCSA-N 1 2 644.134 5.844 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000082149040 562739666 /nfs/dbraw/zinc/73/96/66/562739666.db2.gz IYVUXTQNPXKUFL-SSEXGKCCSA-N 1 2 676.041 5.883 1 0 KKAFLO FC(F)(F)c1ccc([C@@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)nc[nH+]3)C2)cc1 ZINC000082151459 562739979 /nfs/dbraw/zinc/73/99/79/562739979.db2.gz KJMDYCLVOMWILV-HXOBKFHXSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1ccc([C@@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)[nH+]cn3)C2)cc1 ZINC000082151459 562739980 /nfs/dbraw/zinc/73/99/80/562739980.db2.gz KJMDYCLVOMWILV-HXOBKFHXSA-N 1 2 561.439 7.404 1 0 KKAFLO CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082155894 562740608 /nfs/dbraw/zinc/74/06/08/562740608.db2.gz MMUFCLAVLDKFQU-SSEXGKCCSA-N 1 2 704.051 5.808 1 0 KKAFLO Nc1cc(-c2ccc(-c3ccccc3)cc2)c[nH+]c1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082157076 562740825 /nfs/dbraw/zinc/74/08/25/562740825.db2.gz UERYIBXZKVQDJW-SANMLTNESA-N 1 2 500.433 7.522 1 0 KKAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082190132 562742524 /nfs/dbraw/zinc/74/25/24/562742524.db2.gz ISIZQWZUVWCJEA-MUUNZHRXSA-N 1 2 662.014 5.493 1 0 KKAFLO CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082191017 562742602 /nfs/dbraw/zinc/74/26/02/562742602.db2.gz DIRRKKZSRXIFIS-MUUNZHRXSA-N 1 2 689.040 5.330 1 0 KKAFLO COc1c(C(=O)NCC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(Br)c2ccccc21 ZINC000084587393 562743485 /nfs/dbraw/zinc/74/34/85/562743485.db2.gz LTYLABGSGXHAAP-UHFFFAOYSA-N 1 2 537.285 5.470 1 0 KKAFLO CC(C)(C)c1cc(C[NH+]2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084653798 562747018 /nfs/dbraw/zinc/74/70/18/562747018.db2.gz KAXARLDIZPGNAE-UHFFFAOYSA-N 1 2 590.799 8.302 1 0 KKAFLO Cc1c(OCC(F)(F)F)ccnc1COc1cccc(Nc2ncnc3cc4oc(=O)n(CCC[NH+]5CCOCC5)c4cc32)c1 ZINC000084726332 562751265 /nfs/dbraw/zinc/75/12/65/562751265.db2.gz VFJQEWCOMINXPD-UHFFFAOYSA-N 1 2 624.620 5.227 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(N(C)C(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC ZINC000084756826 562752295 /nfs/dbraw/zinc/75/22/95/562752295.db2.gz MVCODGCQFJXMTG-UHFFFAOYSA-N 1 2 542.567 5.258 1 0 KKAFLO CCCC[C@@H]1Oc2ccc(OC[C@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2N(C)C1=O ZINC000084868346 562753089 /nfs/dbraw/zinc/75/30/89/562753089.db2.gz LUSCKCSHZMDXQF-OICBGKIFSA-N 1 2 546.451 5.451 1 0 KKAFLO c1coc(-c2ccc(Cn3c[nH+]cc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)c1 ZINC000085679212 562753375 /nfs/dbraw/zinc/75/33/75/562753375.db2.gz OCPPEPBCNWDQJM-UHFFFAOYSA-N 1 2 538.676 8.747 1 0 KKAFLO CN(C)c1ccccc1-c1cc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2N)ccc1Cl ZINC000085679189 562753389 /nfs/dbraw/zinc/75/33/89/562753389.db2.gz SMXUORLDQVSZOR-UHFFFAOYSA-N 1 2 508.069 7.179 1 0 KKAFLO CC(C)C1=C(C(=O)N2CC[NH+](CCO)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088344203 562753579 /nfs/dbraw/zinc/75/35/79/562753579.db2.gz CGIRGTGKVJBXLP-LADGPHEKSA-N 1 2 545.536 5.198 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH+](CCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544845 562757936 /nfs/dbraw/zinc/75/79/36/562757936.db2.gz WLPVWRBWBJKZPV-UHFFFAOYSA-N 1 2 784.470 7.553 1 0 KKAFLO CCN1CC[NH+](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 562760162 /nfs/dbraw/zinc/76/01/62/562760162.db2.gz VXILBVIYBFDZND-QIKUIUABSA-N 1 2 760.752 6.417 1 0 KKAFLO CC[NH+]1CCN(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 562760163 /nfs/dbraw/zinc/76/01/63/562760163.db2.gz VXILBVIYBFDZND-QIKUIUABSA-N 1 2 760.752 6.417 1 0 KKAFLO CCCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C)c(C)c2)nc(NCc2csc(-c3cccs3)n2)[nH+]1 ZINC000095556767 562761847 /nfs/dbraw/zinc/76/18/47/562761847.db2.gz KBOAFLWJZWAUKP-JOCHJYFZSA-N 1 2 612.851 5.445 1 0 KKAFLO CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C)c(C)c2)[nH+]1 ZINC000095556767 562761848 /nfs/dbraw/zinc/76/18/48/562761848.db2.gz KBOAFLWJZWAUKP-JOCHJYFZSA-N 1 2 612.851 5.445 1 0 KKAFLO CCCCNc1nc(NCc2csc(-c3cccs3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000095556767 562761849 /nfs/dbraw/zinc/76/18/49/562761849.db2.gz KBOAFLWJZWAUKP-JOCHJYFZSA-N 1 2 612.851 5.445 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(F)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000095560806 562763208 /nfs/dbraw/zinc/76/32/08/562763208.db2.gz UONPXTALUNGZBD-UHFFFAOYSA-N 1 2 580.567 6.611 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095570106 562767932 /nfs/dbraw/zinc/76/79/32/562767932.db2.gz KGRCCNJIZHJYBK-MZXQNBQBSA-N 1 2 778.010 6.311 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095570106 562767933 /nfs/dbraw/zinc/76/79/33/562767933.db2.gz KGRCCNJIZHJYBK-MZXQNBQBSA-N 1 2 778.010 6.311 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095570428 562768218 /nfs/dbraw/zinc/76/82/18/562768218.db2.gz QDRBVCQGVAHXBS-RNDKRWLGSA-N 1 2 641.813 5.392 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095570428 562768219 /nfs/dbraw/zinc/76/82/19/562768219.db2.gz QDRBVCQGVAHXBS-RNDKRWLGSA-N 1 2 641.813 5.392 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570706 562768458 /nfs/dbraw/zinc/76/84/58/562768458.db2.gz FUZWWGXSJONWBM-VKIDHGPPSA-N 1 2 652.636 6.720 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570706 562768459 /nfs/dbraw/zinc/76/84/59/562768459.db2.gz FUZWWGXSJONWBM-VKIDHGPPSA-N 1 2 652.636 6.720 1 0 KKAFLO Nc1[nH+]cccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000095580423 562771812 /nfs/dbraw/zinc/77/18/12/562771812.db2.gz BGRFUXZINUEIPZ-UHFFFAOYSA-N 1 2 515.552 5.196 1 0 KKAFLO C[N@@H+]1CC(c2ccc(OC(F)(F)F)cc2)C2(Cc3ccccc3C2=O)C12c1cccc3cccc(c13)C2=O ZINC000095588988 562774820 /nfs/dbraw/zinc/77/48/20/562774820.db2.gz URLFXOAZLHEFBC-CPESWEKQSA-N 1 2 513.515 6.285 1 0 KKAFLO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095590925 562775413 /nfs/dbraw/zinc/77/54/13/562775413.db2.gz NMWSQMMXJXNCLA-UHFFFAOYSA-N 1 2 547.490 5.096 1 0 KKAFLO COc1cc2[nH+]c(NCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095591003 562775431 /nfs/dbraw/zinc/77/54/31/562775431.db2.gz GQANSXDPJNTWLQ-YQQQUEKLSA-N 1 2 615.728 5.523 1 0 KKAFLO Cc1cc(N2CCN(c3ccccc3)CC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(N5CCN(c6ccccc6)CC5)cc(C)[nH+]4)cc3)cc2)n1 ZINC000095593785 562776341 /nfs/dbraw/zinc/77/63/41/562776341.db2.gz XTHSHWKFZSKNDV-UHFFFAOYSA-N 1 2 791.017 8.652 1 0 KKAFLO O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCC[NH+]4CCOCC4)cc2C3=O)ccc1F)c1ccoc1 ZINC000095595661 562776799 /nfs/dbraw/zinc/77/67/99/562776799.db2.gz AXBCLVDJGXIVFQ-UHFFFAOYSA-N 1 2 555.606 5.455 1 0 KKAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095599755 562778352 /nfs/dbraw/zinc/77/83/52/562778352.db2.gz DNBZDJKFUCDOIB-TYYRVOGCSA-N 1 2 586.758 5.251 3 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599975 562778486 /nfs/dbraw/zinc/77/84/86/562778486.db2.gz LGFCYAUQAJYOOY-CYOUBLJMSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599975 562778487 /nfs/dbraw/zinc/77/84/87/562778487.db2.gz LGFCYAUQAJYOOY-CYOUBLJMSA-N 1 2 711.869 6.495 1 0 KKAFLO O=C(Nc1cccc(-c2ccco2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095601747 562779767 /nfs/dbraw/zinc/77/97/67/562779767.db2.gz CGHGDHYCILCDMZ-UHFFFAOYSA-N 1 2 509.650 6.335 1 0 KKAFLO C[C@@H](OC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC[NH+]2CCOCC2)c1)C(C)(C)C ZINC000095604729 562781176 /nfs/dbraw/zinc/78/11/76/562781176.db2.gz DWRZEWHJFCYXOR-HHHXNRCGSA-N 1 2 571.762 6.666 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc(Nc2ccccc2)s1 ZINC000095609960 562784108 /nfs/dbraw/zinc/78/41/08/562784108.db2.gz LQSQUHQXOXSJLS-YDPTYEFTSA-N 1 2 763.003 5.777 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc(Nc2ccccc2)s1 ZINC000095609960 562784109 /nfs/dbraw/zinc/78/41/09/562784109.db2.gz LQSQUHQXOXSJLS-YDPTYEFTSA-N 1 2 763.003 5.777 1 0 KKAFLO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000095614801 562786877 /nfs/dbraw/zinc/78/68/77/562786877.db2.gz HVEBASXMVUNVTR-BCEMXXIASA-N 1 2 837.296 5.344 1 0 KKAFLO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000095614801 562786878 /nfs/dbraw/zinc/78/68/78/562786878.db2.gz HVEBASXMVUNVTR-BCEMXXIASA-N 1 2 837.296 5.344 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095782031 562789047 /nfs/dbraw/zinc/78/90/47/562789047.db2.gz URUYPBZFUNKRKA-WRZBRUQPSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095782031 562789048 /nfs/dbraw/zinc/78/90/48/562789048.db2.gz URUYPBZFUNKRKA-WRZBRUQPSA-N 1 2 673.898 5.485 1 0 KKAFLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000096270774 562793378 /nfs/dbraw/zinc/79/33/78/562793378.db2.gz FNECVHUNSRSWMN-NTKDMRAZSA-N 1 2 506.565 5.351 1 0 KKAFLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000096270774 562793379 /nfs/dbraw/zinc/79/33/79/562793379.db2.gz FNECVHUNSRSWMN-NTKDMRAZSA-N 1 2 506.565 5.351 1 0 KKAFLO O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCC[NH+]5CCOCC5)cc4)cc32)cc1 ZINC000096272620 562794148 /nfs/dbraw/zinc/79/41/48/562794148.db2.gz RYRNCJFZRJMLKN-UHFFFAOYSA-N 1 2 578.673 5.899 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2cccc(F)c2)cc2c[nH]nc21 ZINC000096284723 562795301 /nfs/dbraw/zinc/79/53/01/562795301.db2.gz GUDFQCPDKMLBJC-PMERELPUSA-N 1 2 606.706 5.761 1 0 KKAFLO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@@H+](Cc2ccccc2)C3)cc2c[nH]nc21 ZINC000096284739 562795321 /nfs/dbraw/zinc/79/53/21/562795321.db2.gz LPDDLBQEATVADM-UMSFTDKQSA-N 1 2 641.776 6.225 1 0 KKAFLO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@H+](Cc2ccccc2)C3)cc2c[nH]nc21 ZINC000096284739 562795322 /nfs/dbraw/zinc/79/53/22/562795322.db2.gz LPDDLBQEATVADM-UMSFTDKQSA-N 1 2 641.776 6.225 1 0 KKAFLO Cc1cc(Cn2ccnc2[C@@H](Cc2cc3c[nH]nc3c(C)c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc[nH+]1 ZINC000096284746 562795326 /nfs/dbraw/zinc/79/53/26/562795326.db2.gz OTGFQNZIUQTFIQ-SSEXGKCCSA-N 1 2 603.731 5.325 1 0 KKAFLO COC(=O)C(C)(C)c1nc2n(c1C[N@H+](C)Cc1ccccc1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000096300996 562796217 /nfs/dbraw/zinc/79/62/17/562796217.db2.gz CKQBERJKNYECNU-UHFFFAOYSA-N 1 2 596.703 5.750 1 0 KKAFLO COC(=O)C(C)(C)c1nc2n(c1C[N@@H+](C)Cc1ccccc1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000096300996 562796218 /nfs/dbraw/zinc/79/62/18/562796218.db2.gz CKQBERJKNYECNU-UHFFFAOYSA-N 1 2 596.703 5.750 1 0 KKAFLO C[C@@]1(c2ccc(Nc3nc(N4CCCCCC4)[nH+]c(N4CCCCCC4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909927 562799812 /nfs/dbraw/zinc/79/98/12/562799812.db2.gz PJXPCJMXFVHRPM-SSEXGKCCSA-N 1 2 526.689 5.404 1 0 KKAFLO CCCCCC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913885 562800436 /nfs/dbraw/zinc/80/04/36/562800436.db2.gz NMPDDJZYSDCZID-LJAQVGFWSA-N 1 2 603.760 5.698 1 0 KKAFLO CCCCCC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913885 562800437 /nfs/dbraw/zinc/80/04/37/562800437.db2.gz NMPDDJZYSDCZID-LJAQVGFWSA-N 1 2 603.760 5.698 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC ZINC000096913903 562800464 /nfs/dbraw/zinc/80/04/64/562800464.db2.gz BTDGZUGASWXNRP-GDLZYMKVSA-N 1 2 552.671 6.169 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC ZINC000096913903 562800465 /nfs/dbraw/zinc/80/04/65/562800465.db2.gz BTDGZUGASWXNRP-GDLZYMKVSA-N 1 2 552.671 6.169 1 0 KKAFLO COc1cc([C@@H]2CC(c3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)=NN2C=O)cc(OC)c1OC ZINC000096921882 562801581 /nfs/dbraw/zinc/80/15/81/562801581.db2.gz PTTVMRANHIBXPY-VWLOTQADSA-N 1 2 516.985 5.965 1 0 KKAFLO COc1cc([C@@H]2CC(c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)=NN2C=O)cc(OC)c1OC ZINC000096921904 562801590 /nfs/dbraw/zinc/80/15/90/562801590.db2.gz ASTWHZQZVAVCHA-VWLOTQADSA-N 1 2 516.985 5.965 1 0 KKAFLO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000096922106 562801669 /nfs/dbraw/zinc/80/16/69/562801669.db2.gz QJBPHQZAFKFRKI-XCZPVHLTSA-N 1 2 514.651 5.464 1 0 KKAFLO CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)N(c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)C1=O ZINC000096928728 562802972 /nfs/dbraw/zinc/80/29/72/562802972.db2.gz IXCGDURZGVEKRZ-UHFFFAOYSA-N 1 2 581.595 5.492 1 0 KKAFLO CC(C)(C)c1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc(-c4ccc(N5CCOCC5)[nH+]c4)cc32)c1 ZINC000096937476 562804261 /nfs/dbraw/zinc/80/42/61/562804261.db2.gz FKSQPBXCIRHKQS-XIFFEERXSA-N 1 2 519.645 5.875 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Br)cc2)nc(NC[NH+]2CCCCC2)n1 ZINC000103168753 562814721 /nfs/dbraw/zinc/81/47/21/562814721.db2.gz SBDFCHKXPCHJQX-UHFFFAOYSA-N 1 2 570.285 6.297 1 0 KKAFLO Cc1cnc(Nc2ccc(C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241198 562819539 /nfs/dbraw/zinc/81/95/39/562819539.db2.gz WSSLFOBAFYKXGG-UHFFFAOYSA-N 1 2 576.623 6.094 1 0 KKAFLO O=C(N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000103261505 562821446 /nfs/dbraw/zinc/82/14/46/562821446.db2.gz CDYHRTJYYKSDCO-WJOKGBTCSA-N 1 2 613.080 5.574 1 0 KKAFLO Cn1c[nH+]cc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263823 562821802 /nfs/dbraw/zinc/82/18/02/562821802.db2.gz WBCIUSMPAYCADE-SMCANUKXSA-N 1 2 562.114 5.407 1 0 KKAFLO Cn1c[nH+]cc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103266810 562822364 /nfs/dbraw/zinc/82/23/64/562822364.db2.gz WBCIUSMPAYCADE-IGYGKHONSA-N 1 2 562.114 5.407 1 0 KKAFLO CCCOc1ccc(-c2cc([C@H](C(=O)OC)n3cc4nc(-c5cccc(F)c5F)nc-4c[nH+]3)on2)c(C(F)(F)F)c1 ZINC000103268780 562822732 /nfs/dbraw/zinc/82/27/32/562822732.db2.gz VLPPBCZTUNUFEJ-XMMPIXPASA-N 1 2 573.478 5.948 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(-c3ccccc3)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000103272912 562823058 /nfs/dbraw/zinc/82/30/58/562823058.db2.gz SRUBXTRGFFHAOS-SNCSUOKWSA-N 1 2 604.751 7.333 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCc2csc(Br)c2)n1Cc1ccc(C(=O)OC)cc1 ZINC000103274879 562823160 /nfs/dbraw/zinc/82/31/60/562823160.db2.gz IBJXWYRYKWAECD-UQQQWYQISA-N 1 2 627.605 6.533 1 0 KKAFLO CC(C)(C)OC(=O)NCCCC[C@@H]1[NH2+][C@H]([C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OC(C)(C)C)CNC1=O ZINC000103287165 562823864 /nfs/dbraw/zinc/82/38/64/562823864.db2.gz RLLQKHVGNLCHRF-SDHOMARFSA-N 1 2 629.799 5.012 1 0 KKAFLO O=C1CC(c2cccc(-n3cc[nH+]c3)c2)=Nc2ccc(-c3ccc(I)cc3)cc2N1 ZINC000103297716 562824637 /nfs/dbraw/zinc/82/46/37/562824637.db2.gz GKMVXTBUXDRFHO-UHFFFAOYSA-N 1 2 504.331 5.607 1 0 KKAFLO CS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000114036864 562827199 /nfs/dbraw/zinc/82/71/99/562827199.db2.gz PFERMEMYEOBQSQ-QGZVFWFLSA-N 1 2 558.491 5.384 1 0 KKAFLO O=S(=O)(Nc1ccccc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccnc1 ZINC000114983395 562828688 /nfs/dbraw/zinc/82/86/88/562828688.db2.gz LQLQYWVDPJUALB-LJAQVGFWSA-N 1 2 546.092 6.637 1 0 KKAFLO C[NH+](C)[C@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115937836 562829099 /nfs/dbraw/zinc/82/90/99/562829099.db2.gz BGPAHUNSGVWHIG-AREMUKBSSA-N 1 2 595.096 6.652 1 0 KKAFLO C[N@@H+]1C[C@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140473588 562833065 /nfs/dbraw/zinc/83/30/65/562833065.db2.gz NZYBJQJYFGAOPV-FXUUATLASA-N 1 2 543.627 5.207 1 0 KKAFLO C[N@H+]1C[C@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140473588 562833066 /nfs/dbraw/zinc/83/30/66/562833066.db2.gz NZYBJQJYFGAOPV-FXUUATLASA-N 1 2 543.627 5.207 1 0 KKAFLO Cc1n[nH]c2ccc(C)c(-c3nc4c(c(OCC[NH+]5CCOCC5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146943220 562838951 /nfs/dbraw/zinc/83/89/51/562838951.db2.gz PGHZGIGHGYKEJF-UHFFFAOYSA-N 1 2 540.712 5.342 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5sccc5c4)c3c2)C1 ZINC000147761860 562839584 /nfs/dbraw/zinc/83/95/84/562839584.db2.gz BTHSTOIDJIHTAX-OAQYLSRUSA-N 1 2 514.626 5.987 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5sccc5c4)c3c2)C1 ZINC000147761860 562839585 /nfs/dbraw/zinc/83/95/85/562839585.db2.gz BTHSTOIDJIHTAX-OAQYLSRUSA-N 1 2 514.626 5.987 1 0 KKAFLO O=C([O-])c1cccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)cc[nH+]4)C3)CC2)c1 ZINC000150167935 562842904 /nfs/dbraw/zinc/84/29/04/562842904.db2.gz XOJWWWPYXBYXLV-YOLPVHPBSA-N 1 2 582.667 5.417 1 0 KKAFLO O[C@H](COc1c(Br)cc(C(c2cc(Br)c(OC[C@@H](O)C[NH+]3CCOCC3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br)CN1CCOCC1 ZINC000150561645 562844912 /nfs/dbraw/zinc/84/49/12/562844912.db2.gz OHOBNUOBOCABGF-PMACEKPBSA-N 1 2 938.187 6.291 1 0 KKAFLO Nc1cc(Br)c(Br)cc1Nc1[nH]c2c([nH+]1)c(Br)c(Br)c(Br)c2Br ZINC000164740699 562849719 /nfs/dbraw/zinc/84/97/19/562849719.db2.gz IGUQMFDWTDJKBX-UHFFFAOYSA-N 1 2 697.643 7.464 1 0 KKAFLO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH+]c3cc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N4CCOCC4)cc3n2CC(C)(C)O)c1Cl ZINC000165397239 562850192 /nfs/dbraw/zinc/85/01/92/562850192.db2.gz UVCGZKKGYNZXNZ-UHFFFAOYSA-N 1 2 751.634 7.507 1 0 KKAFLO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000169298909 562852723 /nfs/dbraw/zinc/85/27/23/562852723.db2.gz QJBPHQZAFKFRKI-IXCJQBJRSA-N 1 2 514.651 5.464 1 0 KKAFLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306744 562853605 /nfs/dbraw/zinc/85/36/05/562853605.db2.gz NGRNQNNPDRJOOT-UHFFFAOYSA-N 1 2 550.706 5.803 1 0 KKAFLO COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)cn2)c(OC)c1 ZINC000169335161 562859635 /nfs/dbraw/zinc/85/96/35/562859635.db2.gz CWMCTXHXQPNWBS-HHHXNRCGSA-N 1 2 587.529 5.284 1 0 KKAFLO CCCCNC(=S)NS(=O)(=O)c1ccc(N2[NH+]=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000169339736 562860493 /nfs/dbraw/zinc/86/04/93/562860493.db2.gz JOXMSJXZLXVZJJ-HHHXNRCGSA-N 1 2 570.184 5.715 1 0 KKAFLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)ccc2F)CC1 ZINC000169698407 562867224 /nfs/dbraw/zinc/86/72/24/562867224.db2.gz VIPUWKWIVRTUNT-UHFFFAOYSA-N 1 2 702.857 5.448 1 0 KKAFLO Cn1c2cc(NCC(F)F)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700883 562867722 /nfs/dbraw/zinc/86/77/22/562867722.db2.gz YGSXQAJQKOZQDX-UHFFFAOYSA-N 1 2 655.936 8.008 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@@H]4C3)c(C(=O)N[C@H]3CC[C@H](C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700887 562867742 /nfs/dbraw/zinc/86/77/42/562867742.db2.gz QAMAGPZMSOZZRV-FXELSEDVSA-N 1 2 679.615 7.593 1 0 KKAFLO C[C@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700907 562867768 /nfs/dbraw/zinc/86/77/68/562867768.db2.gz VRQHHRQSBFAXEV-AWEZNQCLSA-N 1 2 649.492 6.812 1 0 KKAFLO C[C@@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700906 562867815 /nfs/dbraw/zinc/86/78/15/562867815.db2.gz VRQHHRQSBFAXEV-CQSZACIVSA-N 1 2 649.492 6.812 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](O)C3)c(C(=O)NC3CCC(C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700957 562867831 /nfs/dbraw/zinc/86/78/31/562867831.db2.gz WNWKTRWIHSIUCK-SOAGJPPSSA-N 1 2 683.603 6.708 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CCN(CC(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700927 562867861 /nfs/dbraw/zinc/86/78/61/562867861.db2.gz SDWXWXITUVJYST-UHFFFAOYSA-N 1 2 764.643 7.821 1 0 KKAFLO Cc1c2c(cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c1N1C[C@@H]3C[C@@H]3C1)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169701023 562867894 /nfs/dbraw/zinc/86/78/94/562867894.db2.gz HJNZORUGEOJPHC-BGYRXZFFSA-N 1 2 687.594 8.322 1 0 KKAFLO Cn1c2cc(N3CCC[C@@H](C(F)(F)F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701016 562867902 /nfs/dbraw/zinc/86/79/02/562867902.db2.gz LNAHAOCNKJUKFF-LJQANCHMSA-N 1 2 759.579 9.216 1 0 KKAFLO Cn1c2cc(N3CCC(O)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701027 562867906 /nfs/dbraw/zinc/86/79/06/562867906.db2.gz LHXXPPJDSNFDES-UHFFFAOYSA-N 1 2 647.501 5.631 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CC(F)(F)C3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701072 562867984 /nfs/dbraw/zinc/86/79/84/562867984.db2.gz LTFYLEWKBSCXIH-UHFFFAOYSA-N 1 2 693.520 7.294 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NCc3ncccc3C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703097 562868580 /nfs/dbraw/zinc/86/85/80/562868580.db2.gz XZIFVZFZJQNANW-UHFFFAOYSA-N 1 2 687.497 7.274 1 0 KKAFLO CCCCOC(=O)Nc1nc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)ncc1F ZINC000169704758 562869112 /nfs/dbraw/zinc/86/91/12/562869112.db2.gz IVDCHSQESRQUBT-UHFFFAOYSA-N 1 2 545.497 5.630 1 0 KKAFLO C[Si](C)(C)CCOCn1cc[nH+]c1C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000169979116 562871450 /nfs/dbraw/zinc/87/14/50/562871450.db2.gz YQCDGYLWRSURGG-NDEPHWFRSA-N 1 2 511.742 6.428 1 0 KKAFLO Cc1ccc(C)c(N2CC[NH+](Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3[Si](C)(C)C)CC2)c1 ZINC000170084385 562871474 /nfs/dbraw/zinc/87/14/74/562871474.db2.gz UQGYMHCYYKLYQA-LFGICVIVSA-N 1 2 678.998 6.826 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000200021764 562873292 /nfs/dbraw/zinc/87/32/92/562873292.db2.gz OWBRIGFKHWBCHW-UHFFFAOYSA-N 1 2 622.988 5.637 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000203987051 562874228 /nfs/dbraw/zinc/87/42/28/562874228.db2.gz DBGBVEVESPJHBC-UHFFFAOYSA-N 1 2 512.972 6.981 1 0 KKAFLO CCCn1cc(C[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220155577 562878402 /nfs/dbraw/zinc/87/84/02/562878402.db2.gz XFJLWJHBACJSLR-UHFFFAOYSA-N 1 2 538.733 6.304 1 0 KKAFLO CCCn1cc(C[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220155577 562878403 /nfs/dbraw/zinc/87/84/03/562878403.db2.gz XFJLWJHBACJSLR-UHFFFAOYSA-N 1 2 538.733 6.304 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1 ZINC000221919663 562879313 /nfs/dbraw/zinc/87/93/13/562879313.db2.gz OKWYLCCVQYOKBT-UHFFFAOYSA-N 1 2 556.465 5.455 1 0 KKAFLO C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc32)CC1 ZINC000225073964 562880658 /nfs/dbraw/zinc/88/06/58/562880658.db2.gz FSRKBKOOPFLURZ-UHFFFAOYSA-N 1 2 529.609 6.502 1 0 KKAFLO C[N@@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc32)CC1 ZINC000225073964 562880659 /nfs/dbraw/zinc/88/06/59/562880659.db2.gz FSRKBKOOPFLURZ-UHFFFAOYSA-N 1 2 529.609 6.502 1 0 KKAFLO C[NH+]1CCC(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ncc(F)s4)ccc32)CC1 ZINC000225057175 562880669 /nfs/dbraw/zinc/88/06/69/562880669.db2.gz COWNHAWETIHZAV-UHFFFAOYSA-N 1 2 549.615 6.731 1 0 KKAFLO O=S(=O)(Nc1ncc(F)s1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c1 ZINC000225108223 562880722 /nfs/dbraw/zinc/88/07/22/562880722.db2.gz VBEPMOQJECZFRI-UHFFFAOYSA-N 1 2 533.572 6.299 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4c(N)c(C(N)=O)c5nc6ccccc6nc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000299828346 562884416 /nfs/dbraw/zinc/88/44/16/562884416.db2.gz JARLPBGMQYGJMW-UHFFFAOYSA-N 1 2 584.562 5.328 1 0 KKAFLO C[C@H](CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299829373 562884838 /nfs/dbraw/zinc/88/48/38/562884838.db2.gz JPUOPFUJFBNFEC-PMKIPSDFSA-N 1 2 661.371 7.981 1 0 KKAFLO CS(=O)(=O)CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000299837081 562887388 /nfs/dbraw/zinc/88/73/88/562887388.db2.gz PILNXPUSWCNKOU-HHHXNRCGSA-N 1 2 673.188 5.725 1 0 KKAFLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CC[NH2+]CC6)sc5c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299843483 562889020 /nfs/dbraw/zinc/88/90/20/562889020.db2.gz ZARCYRCSIPWCIF-INRAJTFZSA-N 1 2 822.978 5.068 1 0 KKAFLO COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccc(C)cc5)c[nH+]c4N4CCSCC4)nn3)on2)cc(OC)c1OC ZINC000299855520 562891677 /nfs/dbraw/zinc/89/16/77/562891677.db2.gz BGJZZEFWELDVBK-UHFFFAOYSA-N 1 2 628.755 5.648 1 0 KKAFLO Clc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(Nc3cccc(OCC[NH+]4CCOCC4)c3)n2)cc1 ZINC000299864330 562894087 /nfs/dbraw/zinc/89/40/87/562894087.db2.gz MEFQIFPYOADITC-UHFFFAOYSA-N 1 2 521.448 6.572 1 0 KKAFLO COc1cc(OC)c(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2[nH]cc(-c3ccc(Br)cc3)c21 ZINC000299865894 562894564 /nfs/dbraw/zinc/89/45/64/562894564.db2.gz OGZFHSJZSJMBQS-UHFFFAOYSA-N 1 2 562.464 5.142 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4nncc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473091704 562897700 /nfs/dbraw/zinc/89/77/00/562897700.db2.gz RGYRGFIJSACCGW-UHFFFAOYSA-N 1 2 618.134 6.348 1 0 KKAFLO C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(Cl)c(N4CC[NH+](C)CC4)c(Cl)c3)ncc2Cl)c1 ZINC000473102970 562898123 /nfs/dbraw/zinc/89/81/23/562898123.db2.gz MOTCNOIFTFHPQN-UHFFFAOYSA-N 1 2 546.890 5.091 1 0 KKAFLO COc1cc(-c2cn([C@H]3CC[C@@H]4CCCC[C@H]4N(Cc4ccccc4)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000473106440 562898248 /nfs/dbraw/zinc/89/82/48/562898248.db2.gz XGXFNNLJOOPIOL-AQHOXQCLSA-N 1 2 510.642 5.370 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](O)c2ccccc2)C2CCCCC2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000473113339 562898796 /nfs/dbraw/zinc/89/87/96/562898796.db2.gz IURDLFPQNBEHOC-NJYHNNHUSA-N 1 2 742.954 6.943 1 0 KKAFLO CC[N@H+](CCCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473115892 562899104 /nfs/dbraw/zinc/89/91/04/562899104.db2.gz VGIJJBUGMBCAJG-UHFFFAOYSA-N 1 2 533.621 5.873 1 0 KKAFLO CC[N@@H+](CCCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473115892 562899105 /nfs/dbraw/zinc/89/91/05/562899105.db2.gz VGIJJBUGMBCAJG-UHFFFAOYSA-N 1 2 533.621 5.873 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCC(O)CC6)nc5)c4)nc(C)[nH+]3)cc12 ZINC000653678285 562906286 /nfs/dbraw/zinc/90/62/86/562906286.db2.gz WDZZBZNSVQJNEJ-FQEVSTJZSA-N 1 2 520.637 6.098 1 0 KKAFLO CCn1cc(-c2nc(Nc3ccc(C(=O)Nc4cc(C[NH+]5CCOCC5)ccc4C)cc3)ncc2C(F)(F)F)cn1 ZINC000653688519 562906582 /nfs/dbraw/zinc/90/65/82/562906582.db2.gz GXSBGRYVLMLTPC-UHFFFAOYSA-N 1 2 565.600 5.515 1 0 KKAFLO O=C(c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)nc3)n2)cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000653688530 562906625 /nfs/dbraw/zinc/90/66/25/562906625.db2.gz IXHXCHMOQLETPH-FQEVSTJZSA-N 1 2 596.532 5.136 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cccnc3)n2)cc1 ZINC000653714190 562908326 /nfs/dbraw/zinc/90/83/26/562908326.db2.gz OHJRVJBMPKSZOX-UHFFFAOYSA-N 1 2 548.569 5.694 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC000653742644 562910208 /nfs/dbraw/zinc/91/02/08/562910208.db2.gz GUGZIAOSXOELAU-LJQANCHMSA-N 1 2 521.586 5.254 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000653749408 562910611 /nfs/dbraw/zinc/91/06/11/562910611.db2.gz ZFKFURRKPAYTCJ-AREMUKBSSA-N 1 2 567.451 5.177 1 0 KKAFLO Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(C[NH+]3CCOCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653755668 562910895 /nfs/dbraw/zinc/91/08/95/562910895.db2.gz MAFQGCYWUSAODD-UHFFFAOYSA-N 1 2 559.666 6.301 1 0 KKAFLO CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=[NH+]1 ZINC000653757857 562911132 /nfs/dbraw/zinc/91/11/32/562911132.db2.gz PAWZSKWZBCJWTL-RUZDIDTESA-N 1 2 587.869 5.522 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000653765623 562911644 /nfs/dbraw/zinc/91/16/44/562911644.db2.gz VVEOCHUKTLFGTG-MHZLTWQESA-N 1 2 599.468 5.644 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C3CC3)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653803322 562913515 /nfs/dbraw/zinc/91/35/15/562913515.db2.gz VKRITGZTWKWFHU-UHFFFAOYSA-N 1 2 603.645 7.056 1 0 KKAFLO O=C(Nc1cccc(Cl)c1)Nc1cccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)c1 ZINC000653825286 562914355 /nfs/dbraw/zinc/91/43/55/562914355.db2.gz WTJBQDZLDVZTBO-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO Cn1c2ccccc2nc1-c1cccc(N2CCc3sc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3C2)c1 ZINC000653864054 562916117 /nfs/dbraw/zinc/91/61/17/562916117.db2.gz NXWXJAREGXRPJY-UHFFFAOYSA-N 1 2 534.689 5.222 1 0 KKAFLO CCC/C=C1\OC(=O)C2=C([C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571201 565145400 /nfs/dbraw/zinc/14/54/00/565145400.db2.gz VMXKTWOWGQNYCD-VVUPOODCSA-N 1 2 621.734 5.574 1 0 biogenic,in-vitro KKAFLO C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)[nH+]cc2CC(=O)N2CC[C@@H]2CCC(C)C)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594671 565151965 /nfs/dbraw/zinc/15/19/65/565151965.db2.gz COSSQJDZBQEKKN-RNKLJYRESA-N 1 2 601.744 5.554 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@@H]3C[C@H](CC[C@@H]3C(C)C)C[C@@H](CO)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629318 565162055 /nfs/dbraw/zinc/16/20/55/565162055.db2.gz OMOWLIYRPMFNCM-DTRVUYJZSA-N 1 2 624.819 6.328 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@@H](CC[C@@H]3C(C)C)C[C@@H](O)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629344 565162062 /nfs/dbraw/zinc/16/20/62/565162062.db2.gz JTJGMVIPCMFZOY-MFOLQEJPSA-N 1 2 610.792 6.081 1 0 biogenic,in-vitro KKAFLO CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1cc[nH+]c(N)c1)C[C@@H](OC(C)=O)[C@H]1C[C@@H](CO)CCC[C@@H](CC(C)C)C1 ZINC000085629326 565162133 /nfs/dbraw/zinc/16/21/33/565162133.db2.gz HUSAZPAFVKTURD-ULGAHMIOSA-N 1 2 628.807 5.445 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)[C@H](O)C(=O)CCCC2CCCCC2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631383 565164617 /nfs/dbraw/zinc/16/46/17/565164617.db2.gz MCIYJXSIIQOYEH-ZLDOSMGMSA-N 1 2 614.763 5.054 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631499 565164684 /nfs/dbraw/zinc/16/46/84/565164684.db2.gz BKHVFIAHNJYSJV-VSCQPYOZSA-N 1 2 658.860 6.471 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(O)=C(O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631499 565164687 /nfs/dbraw/zinc/16/46/87/565164687.db2.gz BKHVFIAHNJYSJV-VSCQPYOZSA-N 1 2 658.860 6.471 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(O)=CC(=O)CCCCCCC2CCCCC2)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631572 565165210 /nfs/dbraw/zinc/16/52/10/565165210.db2.gz QAAYQYGDFODCSC-IVUOSGLUSA-N 1 2 616.823 6.857 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)C=C(O)CCCCCCC2CCCCC2)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631572 565165223 /nfs/dbraw/zinc/16/52/23/565165223.db2.gz QAAYQYGDFODCSC-IVUOSGLUSA-N 1 2 616.823 6.857 1 0 biogenic,in-vitro KKAFLO CCC1C=C(c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=[NH+]1 ZINC000103533306 565194609 /nfs/dbraw/zinc/19/46/09/565194609.db2.gz YKMJHJGTSPYINS-UHFFFAOYSA-N 1 2 600.691 7.630 1 0 biogenic,in-vitro KKAFLO CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1cc[nH+]c(N)c1)C[C@@H](OC(C)=O)[C@H]1C[C@H](O)CCC[C@H](CC(C)C)C1 ZINC000085629348 291905524 /nfs/dbraw/zinc/90/55/24/291905524.db2.gz WRAFLSOHTUSVCQ-FTKDSEMOSA-N 1 2 614.780 5.197 1 0 biogenic,in-vitro KKAFLO CCCN(CC1CC1)c1[nH+]c(C)nc(Nc2c(Cl)cc(I)cc2Cl)c1Cl ZINC000001549790 561677453 /nfs/dbraw/zinc/67/74/53/561677453.db2.gz QQXNGUOWMSQRSO-UHFFFAOYSA-N 1 2 525.649 6.720 1 0 KKAFLO CCNc1cccnc1N1CC[NH+](CC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000003913949 561684453 /nfs/dbraw/zinc/68/44/53/561684453.db2.gz ZJOVANLWKDPSMI-HENXNVTGSA-N 1 2 528.741 5.295 1 0 KKAFLO CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000003979544 561692271 /nfs/dbraw/zinc/69/22/71/561692271.db2.gz KPOCXUHWXCPBCD-UHFFFAOYSA-N 1 2 560.834 6.186 1 0 KKAFLO CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000003979544 561692273 /nfs/dbraw/zinc/69/22/73/561692273.db2.gz KPOCXUHWXCPBCD-UHFFFAOYSA-N 1 2 560.834 6.186 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000013471100 561713993 /nfs/dbraw/zinc/71/39/93/561713993.db2.gz BOAPENYDEADGEH-UHFFFAOYSA-N 1 2 522.835 5.662 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000013471100 561713994 /nfs/dbraw/zinc/71/39/94/561713994.db2.gz BOAPENYDEADGEH-UHFFFAOYSA-N 1 2 522.835 5.662 1 0 KKAFLO Cn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489495 561715921 /nfs/dbraw/zinc/71/59/21/561715921.db2.gz ZYJDBHSEWMJVRV-NDEPHWFRSA-N 1 2 518.400 5.385 1 0 KKAFLO O=C(NCc1ccccn1)c1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1 ZINC000013971732 561735869 /nfs/dbraw/zinc/73/58/69/561735869.db2.gz PBTDDZBKDCDKDS-MUUNZHRXSA-N 1 2 502.622 5.363 1 0 KKAFLO O=C(NCc1ccccn1)c1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1 ZINC000013971732 561735871 /nfs/dbraw/zinc/73/58/71/561735871.db2.gz PBTDDZBKDCDKDS-MUUNZHRXSA-N 1 2 502.622 5.363 1 0 KKAFLO CC[NH+](CC)CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(NC)ncc3c2)c1 ZINC000016052295 561753883 /nfs/dbraw/zinc/75/38/83/561753883.db2.gz YGLITMMDQOZAHY-UHFFFAOYSA-N 1 2 564.612 6.198 1 0 in-vitro KKAFLO CC(C)(C)c1cc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)n(Cc2ccccc2)n1 ZINC000014956544 561747717 /nfs/dbraw/zinc/74/77/17/561747717.db2.gz FIHZNFAKBXOOND-UHFFFAOYSA-N 1 2 527.669 5.737 1 0 KKAFLO CC(=O)Nc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000014956556 561747827 /nfs/dbraw/zinc/74/78/27/561747827.db2.gz XIDKKVQQSVSGRR-UHFFFAOYSA-N 1 2 570.694 5.636 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1sc(Cn2cc[nH+]c2)cc1Cl ZINC000014963673 561749200 /nfs/dbraw/zinc/74/92/00/561749200.db2.gz NYTXQSBCDGIIBX-UHFFFAOYSA-N 1 2 505.814 6.458 1 0 KKAFLO COc1ccc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545758 561755973 /nfs/dbraw/zinc/75/59/73/561755973.db2.gz IVIQLQYHGWCLME-JWQCQUIFSA-N 1 2 607.700 5.033 3 0 KKAFLO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545749 561755975 /nfs/dbraw/zinc/75/59/75/561755975.db2.gz IVIQLQYHGWCLME-DQEYMECFSA-N 1 2 607.700 5.033 3 0 KKAFLO O[C@@H](CNc1ccc(Cl)cc1)C[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941088 561761091 /nfs/dbraw/zinc/76/10/91/561761091.db2.gz UWCWXVUOPMHJCE-NDEPHWFRSA-N 1 2 514.060 5.621 1 0 KKAFLO O=C(c1ccc(Cl)cc1)[C@@H](Nc1ccc(Cl)cc1)N[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025977871 561763665 /nfs/dbraw/zinc/76/36/65/561763665.db2.gz XKPZFHQUOCYFRH-NOZRDPDXSA-N 1 2 534.274 7.149 1 0 KKAFLO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981474 561763940 /nfs/dbraw/zinc/76/39/40/561763940.db2.gz YQGNXQWPWJAAKQ-MUUNZHRXSA-N 1 2 528.722 5.920 1 0 KKAFLO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981474 561763942 /nfs/dbraw/zinc/76/39/42/561763942.db2.gz YQGNXQWPWJAAKQ-MUUNZHRXSA-N 1 2 528.722 5.920 1 0 KKAFLO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981482 561763978 /nfs/dbraw/zinc/76/39/78/561763978.db2.gz YQGNXQWPWJAAKQ-NDEPHWFRSA-N 1 2 528.722 5.920 1 0 KKAFLO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981482 561763980 /nfs/dbraw/zinc/76/39/80/561763980.db2.gz YQGNXQWPWJAAKQ-NDEPHWFRSA-N 1 2 528.722 5.920 1 0 KKAFLO Cc1cccc(C)c1C(=O)N1CCC(N2CC[N@H+](Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026258006 561775159 /nfs/dbraw/zinc/77/51/59/561775159.db2.gz WHOCMELZNZWNHY-SANMLTNESA-N 1 2 539.720 5.434 1 0 KKAFLO Cc1cccc(C)c1C(=O)N1CCC(N2CC[N@@H+](Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026258006 561775161 /nfs/dbraw/zinc/77/51/61/561775161.db2.gz WHOCMELZNZWNHY-SANMLTNESA-N 1 2 539.720 5.434 1 0 KKAFLO CN(C)c1ccc(-c2nc(-c3ccc(/C=C/C[NH+]4CCOCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576250 561800130 /nfs/dbraw/zinc/80/01/30/561800130.db2.gz CVRFCEYASKOKPQ-AATRIKPKSA-N 1 2 507.682 5.888 1 0 KKAFLO CN(C)c1ccc(-c2nc(-c3ccc(C=CC[NH+]4CCOCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576250 561800131 /nfs/dbraw/zinc/80/01/31/561800131.db2.gz CVRFCEYASKOKPQ-AATRIKPKSA-N 1 2 507.682 5.888 1 0 KKAFLO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 ZINC000026580313 561805833 /nfs/dbraw/zinc/80/58/33/561805833.db2.gz JOCSJNBEXFKNIX-MGPFPDDXSA-N 1 2 605.653 6.084 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 ZINC000026659780 561810202 /nfs/dbraw/zinc/81/02/02/561810202.db2.gz NEYSVVNYBJMIKL-VWLOTQADSA-N 1 2 572.105 6.976 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 ZINC000026659780 561810204 /nfs/dbraw/zinc/81/02/04/561810204.db2.gz NEYSVVNYBJMIKL-VWLOTQADSA-N 1 2 572.105 6.976 1 0 KKAFLO Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2CSCC[N@@H+]2Cc2ccccc21 ZINC000026663405 561810739 /nfs/dbraw/zinc/81/07/39/561810739.db2.gz NFTIDUCUMVSAOA-HHHXNRCGSA-N 1 2 533.697 6.492 1 0 KKAFLO Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2CSCC[N@H+]2Cc2ccccc21 ZINC000026663405 561810741 /nfs/dbraw/zinc/81/07/41/561810741.db2.gz NFTIDUCUMVSAOA-HHHXNRCGSA-N 1 2 533.697 6.492 1 0 KKAFLO CC(C)(C)c1cc(C(=O)C[N@@H+]2C(=N)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc(C(C)(C)C)c1O ZINC000026720402 561815051 /nfs/dbraw/zinc/81/50/51/561815051.db2.gz WDPVUOTYYIGUJQ-UHFFFAOYSA-N 1 2 538.519 7.461 1 0 KKAFLO CC(C)(C)c1cc(C(=O)C[N@H+]2C(=N)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc(C(C)(C)C)c1O ZINC000026720402 561815053 /nfs/dbraw/zinc/81/50/53/561815053.db2.gz WDPVUOTYYIGUJQ-UHFFFAOYSA-N 1 2 538.519 7.461 1 0 KKAFLO CC(C)(C)c1ccc(CN2c3ccccc3[N@@H+](CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=N)cc1 ZINC000026721240 561815188 /nfs/dbraw/zinc/81/51/88/561815188.db2.gz JJAVIZLUMJDTTP-UHFFFAOYSA-N 1 2 525.737 7.452 1 0 KKAFLO CC(C)(C)c1ccc(CN2c3ccccc3[N@H+](CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=N)cc1 ZINC000026721240 561815189 /nfs/dbraw/zinc/81/51/89/561815189.db2.gz JJAVIZLUMJDTTP-UHFFFAOYSA-N 1 2 525.737 7.452 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@H](c2ccccc2Cl)C1C(=O)OC1CCCCC1 ZINC000026837699 561824893 /nfs/dbraw/zinc/82/48/93/561824893.db2.gz ABARVCHGLGYBSE-BSHMQCMKSA-N 1 2 611.142 8.034 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026960635 561829645 /nfs/dbraw/zinc/82/96/45/561829645.db2.gz IKTCQXBLEMUSIF-GBXCKJPGSA-N 1 2 545.558 5.408 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026960635 561829647 /nfs/dbraw/zinc/82/96/47/561829647.db2.gz IKTCQXBLEMUSIF-GBXCKJPGSA-N 1 2 545.558 5.408 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026971463 561830435 /nfs/dbraw/zinc/83/04/35/561830435.db2.gz IKTCQXBLEMUSIF-YKSBVNFPSA-N 1 2 545.558 5.408 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026971463 561830436 /nfs/dbraw/zinc/83/04/36/561830436.db2.gz IKTCQXBLEMUSIF-YKSBVNFPSA-N 1 2 545.558 5.408 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000027078230 561834643 /nfs/dbraw/zinc/83/46/43/561834643.db2.gz ROPVYNUGSZRGBD-WOCSTVOOSA-N 1 2 694.902 5.531 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000027078230 561834644 /nfs/dbraw/zinc/83/46/44/561834644.db2.gz ROPVYNUGSZRGBD-WOCSTVOOSA-N 1 2 694.902 5.531 1 0 KKAFLO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(C[N@H+](C)Cc3ccco3)n2c1=O ZINC000027098435 561838211 /nfs/dbraw/zinc/83/82/11/561838211.db2.gz SSFRSHWORAHUPE-UHFFFAOYSA-N 1 2 603.666 6.531 1 0 KKAFLO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(C[N@@H+](C)Cc3ccco3)n2c1=O ZINC000027098435 561838212 /nfs/dbraw/zinc/83/82/12/561838212.db2.gz SSFRSHWORAHUPE-UHFFFAOYSA-N 1 2 603.666 6.531 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)CCCSc1ccccn1 ZINC000027102492 561839106 /nfs/dbraw/zinc/83/91/06/561839106.db2.gz SQVHGRVONUSHGR-ZLESDFJESA-N 1 2 692.927 5.357 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)CCCSc1ccccn1 ZINC000027102492 561839108 /nfs/dbraw/zinc/83/91/08/561839108.db2.gz SQVHGRVONUSHGR-ZLESDFJESA-N 1 2 692.927 5.357 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(OC)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027201565 561845250 /nfs/dbraw/zinc/84/52/50/561845250.db2.gz XXVDCPDIODZRFL-USHMODERSA-N 1 2 558.679 5.675 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2cccc(Cl)c2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027209120 561846643 /nfs/dbraw/zinc/84/66/43/561846643.db2.gz QRDLHUVMWWTAQN-IMRQLAEWSA-N 1 2 563.098 6.319 1 0 KKAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc(-c5ccccc5)cc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308320 561850023 /nfs/dbraw/zinc/85/00/23/561850023.db2.gz YFYORKMCSIOCOK-UHFFFAOYSA-N 1 2 674.227 5.318 1 0 KKAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5cc(C(F)(F)F)ccc5c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027316032 561851698 /nfs/dbraw/zinc/85/16/98/561851698.db2.gz SIQQDHZFMHUKPC-UHFFFAOYSA-N 1 2 716.186 5.823 1 0 KKAFLO CCCCc1[nH+]c2ccc(N3CCCCS3(=O)=O)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027330015 561854680 /nfs/dbraw/zinc/85/46/80/561854680.db2.gz SQVLPIKGPBGVCG-UHFFFAOYSA-N 1 2 541.681 5.204 1 0 KKAFLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517863 561861624 /nfs/dbraw/zinc/86/16/24/561861624.db2.gz DSHYGKAKVRNSRB-RSXGOPAZSA-N 1 2 576.694 5.344 1 0 KKAFLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517863 561861625 /nfs/dbraw/zinc/86/16/25/561861625.db2.gz DSHYGKAKVRNSRB-RSXGOPAZSA-N 1 2 576.694 5.344 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027521748 561864160 /nfs/dbraw/zinc/86/41/60/561864160.db2.gz OQVYCYWPYVUJHG-UHFFFAOYSA-N 1 2 550.889 6.443 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027521748 561864162 /nfs/dbraw/zinc/86/41/62/561864162.db2.gz OQVYCYWPYVUJHG-UHFFFAOYSA-N 1 2 550.889 6.443 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(c3ccccc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027634454 561874319 /nfs/dbraw/zinc/87/43/19/561874319.db2.gz FYNYXIQAMMZVGS-UHFFFAOYSA-N 1 2 558.130 5.281 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)[nH+]c(N2CCN(c3ccccc3)CC2)n1 ZINC000027634454 561874320 /nfs/dbraw/zinc/87/43/20/561874320.db2.gz FYNYXIQAMMZVGS-UHFFFAOYSA-N 1 2 558.130 5.281 1 0 KKAFLO CCN(Cc1ccccc1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027867187 561887872 /nfs/dbraw/zinc/88/78/72/561887872.db2.gz FDPICUUOOJCCPW-XMMPIXPASA-N 1 2 541.545 6.319 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CC[NH+]([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027996122 561893902 /nfs/dbraw/zinc/89/39/02/561893902.db2.gz WOZFIAXXAOZQSD-PIKZIKFNSA-N 1 2 539.120 5.104 1 0 KKAFLO O=C(Cc1ccc(Br)cc1)N1CC[NH+]([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027999188 561894440 /nfs/dbraw/zinc/89/44/40/561894440.db2.gz DNMVTJNZEPUZGW-SANMLTNESA-N 1 2 510.863 5.072 1 0 KKAFLO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(N4C(=O)OCc5c(F)cccc54)CC3)ccc21 ZINC000028103714 561902044 /nfs/dbraw/zinc/90/20/44/561902044.db2.gz LUXGYODPIKWROP-UHFFFAOYSA-N 1 2 500.574 5.513 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000028261978 561912281 /nfs/dbraw/zinc/91/22/81/561912281.db2.gz IJFYLVPPTKMDPU-UHFFFAOYSA-N 1 2 524.974 6.119 1 0 KKAFLO C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H]([NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)[C@H]12 ZINC000028456804 561924003 /nfs/dbraw/zinc/92/40/03/561924003.db2.gz DTGJHQGHJDTHDH-OATMQYOSSA-N 1 2 608.783 5.668 1 0 KKAFLO Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc12 ZINC000028520615 561928970 /nfs/dbraw/zinc/92/89/70/561928970.db2.gz MHEKDRNEOKTABI-UHFFFAOYSA-N 1 2 588.450 5.070 1 0 KKAFLO CCCC[NH+](CCCC)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N[C@@H](C)CCc3ccccc3)c2F)c(C(=O)[O-])c1 ZINC000028525157 561931113 /nfs/dbraw/zinc/93/11/13/561931113.db2.gz ICUXHUHRHVYDKJ-DEOSSOPVSA-N 1 2 659.778 8.766 1 0 KKAFLO CCCCO[C@@H]1Sc2ccc([C@@H](Cn3cc[nH+]c3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530611 561934882 /nfs/dbraw/zinc/93/48/82/561934882.db2.gz YWSXPTSTTCVWOH-PXDATVDWSA-N 1 2 500.020 5.346 1 0 KKAFLO CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000028572546 561940214 /nfs/dbraw/zinc/94/02/14/561940214.db2.gz JBGGGNZLOWMARA-UHFFFAOYSA-N 1 2 540.668 5.653 1 0 KKAFLO O[C@@H](c1c[nH+]cn1Cc1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000028712106 561952659 /nfs/dbraw/zinc/95/26/59/561952659.db2.gz VBZCQPDQEPHLOD-AREMUKBSSA-N 1 2 501.377 5.578 1 0 KKAFLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028768150 561960253 /nfs/dbraw/zinc/96/02/53/561960253.db2.gz ORAWWAYVDJAMCF-UHFFFAOYSA-N 1 2 554.594 5.452 1 0 KKAFLO Cn1cnc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)[C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816063 561963715 /nfs/dbraw/zinc/96/37/15/561963715.db2.gz DDWRMWPIJQCGAI-VWLOTQADSA-N 1 2 610.662 5.255 1 0 KKAFLO c1ccc(C(CCCN2CC[NH+](CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816218 561964077 /nfs/dbraw/zinc/96/40/77/561964077.db2.gz LCOHBFLNTLGXJE-MJPWBCPGSA-N 1 2 652.879 9.213 1 0 KKAFLO C[NH+](C)C1CCN(C(=O)Cn2c3cc(-c4nc(=O)o[nH]4)ccc3c(C3CCCCC3)c2-c2ccccc2)CC1 ZINC000028949687 561980788 /nfs/dbraw/zinc/98/07/88/561980788.db2.gz CNZPGPSEUANUNJ-UHFFFAOYSA-N 1 2 527.669 5.252 1 0 KKAFLO CN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)c(Cl)s3)cc2)nc[nH+]1 ZINC000028952866 561982189 /nfs/dbraw/zinc/98/21/89/561982189.db2.gz AAIUODNJTNMLJB-UHFFFAOYSA-N 1 2 536.942 6.473 1 0 KKAFLO Cc1cc(Nc2nc3ccc(C(=O)Nc4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cc3s2)nc(C)[nH+]1 ZINC000029126204 561998565 /nfs/dbraw/zinc/99/85/65/561998565.db2.gz JWOFRPYHDHHNFC-UHFFFAOYSA-N 1 2 576.604 7.279 1 0 KKAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1 ZINC000029342254 562015528 /nfs/dbraw/zinc/01/55/28/562015528.db2.gz SKSBFQJKEVVOPX-JDIHBLRXSA-N 1 2 679.928 5.684 1 0 KKAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1 ZINC000029342254 562015529 /nfs/dbraw/zinc/01/55/29/562015529.db2.gz SKSBFQJKEVVOPX-JDIHBLRXSA-N 1 2 679.928 5.684 1 0 KKAFLO Cc1cc(-n2cc[nH+]c2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1 ZINC000029392322 562017735 /nfs/dbraw/zinc/01/77/35/562017735.db2.gz SSCALPWOYJPFKD-XNTDXEJSSA-N 1 2 671.585 6.109 1 0 KKAFLO O=C([O-])CCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029400656 562019579 /nfs/dbraw/zinc/01/95/79/562019579.db2.gz XFKVTZSOTRVSAJ-UHFFFAOYSA-N 1 2 552.462 5.110 1 0 KKAFLO CCCN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2ccc(N3CCN(c4cccc[nH+]4)CC3)cc2)C1=O ZINC000029482229 562027503 /nfs/dbraw/zinc/02/75/03/562027503.db2.gz ZRAARRPFSVHSME-YTTGMZPUSA-N 1 2 579.749 5.682 1 0 KKAFLO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3ccc(Cl)cc3Cl)CC2)c2ccccc21 ZINC000029490024 562029187 /nfs/dbraw/zinc/02/91/87/562029187.db2.gz MYRGTFCDJGLONZ-HHHXNRCGSA-N 1 2 602.584 5.008 1 0 KKAFLO COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH+](C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000029570157 562035402 /nfs/dbraw/zinc/03/54/02/562035402.db2.gz IPVVIMVVEJPJGK-ALAGAHHRSA-N 1 2 676.854 9.536 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(F)cc1 ZINC000036338856 562057588 /nfs/dbraw/zinc/05/75/88/562057588.db2.gz YKIIROJVKKTKLM-UHFFFAOYSA-N 1 2 530.673 5.260 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(F)cc1 ZINC000036338856 562057589 /nfs/dbraw/zinc/05/75/89/562057589.db2.gz YKIIROJVKKTKLM-UHFFFAOYSA-N 1 2 530.673 5.260 1 0 KKAFLO Cc1cccc(N(C)C(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338876 562057628 /nfs/dbraw/zinc/05/76/28/562057628.db2.gz FGFDHWMIOOKYRG-UHFFFAOYSA-N 1 2 540.737 5.453 1 0 KKAFLO Cc1cccc(N(C)C(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338876 562057630 /nfs/dbraw/zinc/05/76/30/562057630.db2.gz FGFDHWMIOOKYRG-UHFFFAOYSA-N 1 2 540.737 5.453 1 0 KKAFLO Cc1cccc(N(C)C(=O)N(C)Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338876 562057632 /nfs/dbraw/zinc/05/76/32/562057632.db2.gz FGFDHWMIOOKYRG-UHFFFAOYSA-N 1 2 540.737 5.453 1 0 KKAFLO O=C(NCCCc1c[nH+]c[nH]1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000038142450 562063622 /nfs/dbraw/zinc/06/36/22/562063622.db2.gz QJDXAQZNKZDALD-UHFFFAOYSA-N 1 2 540.293 5.203 1 0 in-vitro KKAFLO O=C(NCCCc1c[nH]c[nH+]1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000038142450 562063624 /nfs/dbraw/zinc/06/36/24/562063624.db2.gz QJDXAQZNKZDALD-UHFFFAOYSA-N 1 2 540.293 5.203 1 0 in-vitro KKAFLO CC(C)(C)c1ccc(-c2cc3ncn(-c4ccc5nc(C[NH+]6CCOCC6)ccc5c4)c(=O)c3s2)cc1 ZINC000038149740 562066183 /nfs/dbraw/zinc/06/61/83/562066183.db2.gz WBOXTZAPRORPKG-UHFFFAOYSA-N 1 2 510.663 5.792 1 0 KKAFLO CC[C@H](C)c1ccc(-c2cc3ncn(-c4ccc5nc(C[NH+]6CCOCC6)ccc5c4)c(=O)c3s2)cc1 ZINC000038149742 562066251 /nfs/dbraw/zinc/06/62/51/562066251.db2.gz DVZUMXKYIYIBCL-FQEVSTJZSA-N 1 2 510.663 6.008 1 0 KKAFLO O=C(NCCCc1c[nH+]c[nH]1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372494 562071429 /nfs/dbraw/zinc/07/14/29/562071429.db2.gz DKBCPWSPMZLASX-JDXGNMNLSA-N 1 2 669.068 5.186 1 0 KKAFLO O=C(NCCCc1c[nH]c[nH+]1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372494 562071430 /nfs/dbraw/zinc/07/14/30/562071430.db2.gz DKBCPWSPMZLASX-JDXGNMNLSA-N 1 2 669.068 5.186 1 0 KKAFLO Cc1ccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)cc1 ZINC000038391701 562071884 /nfs/dbraw/zinc/07/18/84/562071884.db2.gz ATULXEYLXXNOLJ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(C[NH+]5CCN(C)CC5)cc3-4)s2)cc1 ZINC000038391701 562071885 /nfs/dbraw/zinc/07/18/85/562071885.db2.gz ATULXEYLXXNOLJ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO COc1c(NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000039274991 562072989 /nfs/dbraw/zinc/07/29/89/562072989.db2.gz KLPFPTSVYVEKOL-UHFFFAOYSA-N 1 2 617.772 6.056 1 0 in-vitro KKAFLO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c2c[nH+]cn2c2ccccc2c1-c1ccccc1 ZINC000040845355 562080279 /nfs/dbraw/zinc/08/02/79/562080279.db2.gz YXQIBRFLGXEZFK-UHFFFAOYSA-N 1 2 513.441 7.122 1 0 KKAFLO Cc1cccc(Cl)c1Nc1[nH+]c2ccccc2n1-c1cc(Nc2cc(CN3CCOCC3)ccn2)ncn1 ZINC000040917498 562084099 /nfs/dbraw/zinc/08/40/99/562084099.db2.gz KNPRFHFPAKZBIG-UHFFFAOYSA-N 1 2 527.032 5.492 1 0 KKAFLO CCc1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000040976128 562087195 /nfs/dbraw/zinc/08/71/95/562087195.db2.gz FTQLEGQLUZFZMC-UHFFFAOYSA-N 1 2 500.671 8.050 1 0 KKAFLO C[C@H](CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000042804020 562088595 /nfs/dbraw/zinc/08/85/95/562088595.db2.gz QEIVLZWJFZSSID-IAGURUCCSA-N 1 2 576.866 6.251 1 0 KKAFLO Cc1ccccc1-c1cc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)ccc1-c1nc2ccccc2s1 ZINC000042804899 562088935 /nfs/dbraw/zinc/08/89/35/562088935.db2.gz JWTQVMQXDGWZID-UHFFFAOYSA-N 1 2 562.742 9.463 1 0 KKAFLO CCC1C=C(c2cccc(CCc3c(=O)c(OC)c(O)c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C(N2CC[NH2+]CC2)=N1 ZINC000103533129 560050853 /nfs/dbraw/zinc/05/08/53/560050853.db2.gz RWVFZOIJEXSSFQ-UHFFFAOYSA-N 1 2 580.661 5.124 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2CCCCC[C@@H](CC(C)C)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629388 560068407 /nfs/dbraw/zinc/06/84/07/560068407.db2.gz MWIUMEKXWRIVFL-CANGBOOASA-N 1 2 568.755 6.864 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C(Cc3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(C5(CC)CCCC5)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571193 560069824 /nfs/dbraw/zinc/06/98/24/560069824.db2.gz JNHLNBIDSMYWAR-NOLGQNAQSA-N 1 2 566.742 7.278 1 0 biogenic,in-vitro KKAFLO C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)n1cc[nH+]c1 ZINC000043064404 562645303 /nfs/dbraw/zinc/64/53/03/562645303.db2.gz SUQWJVBVPBOQEV-XMMPIXPASA-N 1 2 566.640 7.811 1 0 KKAFLO CCC(CC)Nc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc[nH+]1 ZINC000043071767 562645564 /nfs/dbraw/zinc/64/55/64/562645564.db2.gz JNZNXCUGDKUNOF-GAJHUEQPSA-N 1 2 501.900 7.320 1 0 KKAFLO CCC(CC)Nc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]cn1 ZINC000043071767 562645565 /nfs/dbraw/zinc/64/55/65/562645565.db2.gz JNZNXCUGDKUNOF-GAJHUEQPSA-N 1 2 501.900 7.320 1 0 KKAFLO COc1cccc(C(=O)N[C@H]2CCC[C@@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000044031728 562651630 /nfs/dbraw/zinc/65/16/30/562651630.db2.gz FCRQRXBCUSWSEF-UHSQPCAPSA-N 1 2 586.733 5.434 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044052913 562651873 /nfs/dbraw/zinc/65/18/73/562651873.db2.gz VCGJYQLITQXOFG-VTIYRKAUSA-N 1 2 626.842 7.070 1 0 KKAFLO Cc1ccccc1N1CC[NH+](Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)nn2)CC1 ZINC000044220897 562652599 /nfs/dbraw/zinc/65/25/99/562652599.db2.gz MXVBXNHSILYOCS-LRHLLKFHSA-N 1 2 592.788 5.973 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)c2cc1OC ZINC000045284197 562660107 /nfs/dbraw/zinc/66/01/07/562660107.db2.gz NBFHAUBXSYSCMG-UHFFFAOYSA-N 1 2 520.492 5.797 1 0 KKAFLO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3cccc[nH+]3)CC2)c1 ZINC000045285510 562660157 /nfs/dbraw/zinc/66/01/57/562660157.db2.gz CGTQVYIIHNACQL-UHFFFAOYSA-N 1 2 515.702 6.279 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5F)C4=O)cc3F)c2cc1OC ZINC000045289273 562660291 /nfs/dbraw/zinc/66/02/91/562660291.db2.gz ZULYQXQPPNQNMX-UHFFFAOYSA-N 1 2 520.492 5.797 1 0 KKAFLO CC[C@H]1[C@@H](C)N(c2[nH+]c3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H]1C ZINC000045368782 562662143 /nfs/dbraw/zinc/66/21/43/562662143.db2.gz UJYZSAKJRRAVME-CQOQZXRMSA-N 1 2 517.758 7.707 1 0 KKAFLO COc1ccc(CNC(=O)c2c[nH+]c3c(O)cccc3c2Nc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000048307289 562662875 /nfs/dbraw/zinc/66/28/75/562662875.db2.gz GGLQRTFNGZNTQW-UHFFFAOYSA-N 1 2 536.563 6.014 1 0 KKAFLO Nc1cccc(Nc2nc(NCCc3ccccc3)nc(Nc3ccc(CCNc4nc(Nc5cccc(N)c5)nc(NCCO)[nH+]4)cc3)n2)c1 ZINC000049694518 562669403 /nfs/dbraw/zinc/66/94/03/562669403.db2.gz MFSZHOPLGKTEDJ-UHFFFAOYSA-N 1 2 684.813 5.165 1 0 KKAFLO C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(=O)(=O)c1ccccc1 ZINC000049694725 562669674 /nfs/dbraw/zinc/66/96/74/562669674.db2.gz BTZSHTKXTWWUKJ-QXNWPYRLSA-N 1 2 632.750 5.376 1 0 KKAFLO O=C(NCc1ccccc1)c1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049709509 562671344 /nfs/dbraw/zinc/67/13/44/562671344.db2.gz SDBKADIGSPMMAF-UHFFFAOYSA-N 1 2 538.523 5.105 1 0 KKAFLO CCCCc1[nH+]cc(COC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000049710210 562671589 /nfs/dbraw/zinc/67/15/89/562671589.db2.gz MNJMLCXSLBFGDW-BHVANESWSA-N 1 2 620.754 6.579 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH+]c(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1 ZINC000049723085 562672889 /nfs/dbraw/zinc/67/28/89/562672889.db2.gz IXKWKZLEZZMTTM-BAPWEOGXSA-N 1 2 664.851 5.839 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)[nH+]1)C(=O)NCc1ccccc1 ZINC000049723085 562672890 /nfs/dbraw/zinc/67/28/90/562672890.db2.gz IXKWKZLEZZMTTM-BAPWEOGXSA-N 1 2 664.851 5.839 1 0 KKAFLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049757148 562675597 /nfs/dbraw/zinc/67/55/97/562675597.db2.gz HYKAZUGODDLGDY-SSEXGKCCSA-N 1 2 532.644 5.097 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@]5(CN(C[C@@H](C[NH+]6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049778077 562680908 /nfs/dbraw/zinc/68/09/08/562680908.db2.gz BTGSCJGGIRKDSQ-YNQVYCJHSA-N 1 2 612.852 6.004 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049778284 562681141 /nfs/dbraw/zinc/68/11/41/562681141.db2.gz HOJJPFAVIQOXGJ-POURPWNDSA-N 1 2 722.541 8.047 1 0 KKAFLO O=C(Nc1ccccc1)N(CC1=C[C@@](Cc2ccccc2)(NC(=O)C(Cl)(Cl)Cl)CC1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049778327 562681185 /nfs/dbraw/zinc/68/11/85/562681185.db2.gz DPBURRXPRULCQN-MGBGTMOVSA-N 1 2 672.053 6.624 1 0 KKAFLO CCn1c[nH+]cc1[C@@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cc3ccccc3)c1)cc(=O)n2C ZINC000049784084 562683432 /nfs/dbraw/zinc/68/34/32/562683432.db2.gz FVKPCLGFXYXAQY-PSXMRANNSA-N 1 2 574.124 7.604 1 0 KKAFLO Cc1ccc([C@@H](CC(N)=O)NC(=O)CCCN(CC[NH+]2CCOCC2)c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049898353 562692483 /nfs/dbraw/zinc/69/24/83/562692483.db2.gz YDUHFRBPTNJKPH-SSEXGKCCSA-N 1 2 664.638 5.201 1 0 KKAFLO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccc(NS(=O)(=O)c5cccs5)cc43)CC2)CC1 ZINC000049917807 562693938 /nfs/dbraw/zinc/69/39/38/562693938.db2.gz GCIBBRGSWPTFMC-XBXARRHUSA-N 1 2 657.689 7.468 1 0 KKAFLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000049938302 562695139 /nfs/dbraw/zinc/69/51/39/562695139.db2.gz RXZODQSLCIFTMK-KLESUSOLSA-N 1 2 674.886 7.657 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938416 562695291 /nfs/dbraw/zinc/69/52/91/562695291.db2.gz IFLWLFWRVQTDET-DGPALRBDSA-N 1 2 688.096 7.394 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@H](N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)cc2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938434 562695328 /nfs/dbraw/zinc/69/53/28/562695328.db2.gz NFJDSOMCPXKCAN-RZLWBAEQSA-N 1 2 722.930 9.005 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cc(Br)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053276480 562697061 /nfs/dbraw/zinc/69/70/61/562697061.db2.gz LONHCJUMGBFPDB-UHFFFAOYSA-N 1 2 559.268 6.829 1 0 KKAFLO COc1nc(Nc2[nH+]ccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053295529 562697331 /nfs/dbraw/zinc/69/73/31/562697331.db2.gz NBJUJXCNINQMDW-UHFFFAOYSA-N 1 2 510.398 6.076 1 0 KKAFLO COc1c(Cl)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCC[NH+]2CCOCC2)c2ccccc12 ZINC000058512684 562698422 /nfs/dbraw/zinc/69/84/22/562698422.db2.gz JQUTUFUVQNZOGP-UHFFFAOYSA-N 1 2 525.045 5.332 1 0 KKAFLO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058583611 562700147 /nfs/dbraw/zinc/70/01/47/562700147.db2.gz OGJZVHOTZCVDJK-UHFFFAOYSA-N 1 2 513.661 6.441 1 0 KKAFLO O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CCN[C@@H](Cn2cc[nH+]c2)C(=O)OCc2ccccc2)n1 ZINC000058584011 562700217 /nfs/dbraw/zinc/70/02/17/562700217.db2.gz LUDAVSFJSNQMJR-HKBQPEDESA-N 1 2 573.653 5.214 1 0 KKAFLO CC[C@H](C)[C@H]([NH2+]CCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058590879 562700352 /nfs/dbraw/zinc/70/03/52/562700352.db2.gz QVTZNTVLBXUWQH-FWUCURJTSA-N 1 2 549.671 6.363 1 0 KKAFLO O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CC[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)n1 ZINC000058592216 562700541 /nfs/dbraw/zinc/70/05/41/562700541.db2.gz XXDYMPNMCNMWHM-DHUJRADRSA-N 1 2 622.725 7.041 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000058608725 562700954 /nfs/dbraw/zinc/70/09/54/562700954.db2.gz WQPYGRKAOXZYEH-UTEVTPAPSA-N 1 2 693.914 6.136 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000058608725 562700955 /nfs/dbraw/zinc/70/09/55/562700955.db2.gz WQPYGRKAOXZYEH-UTEVTPAPSA-N 1 2 693.914 6.136 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)ccc(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059191159 562701881 /nfs/dbraw/zinc/70/18/81/562701881.db2.gz RKROEMYBMQHKQK-GDLZYMKVSA-N 1 2 614.747 5.276 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)ccc(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059191159 562701882 /nfs/dbraw/zinc/70/18/82/562701882.db2.gz RKROEMYBMQHKQK-GDLZYMKVSA-N 1 2 614.747 5.276 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Br)c3)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258494 562714985 /nfs/dbraw/zinc/71/49/85/562714985.db2.gz SBUXIQVGABXQNQ-COPCDDAFSA-N 1 2 545.321 7.660 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Br)c3)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258494 562714986 /nfs/dbraw/zinc/71/49/86/562714986.db2.gz SBUXIQVGABXQNQ-COPCDDAFSA-N 1 2 545.321 7.660 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Br)c3)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258493 562715020 /nfs/dbraw/zinc/71/50/20/562715020.db2.gz SBUXIQVGABXQNQ-BVYCBKJFSA-N 1 2 545.321 7.660 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Br)c3)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258493 562715021 /nfs/dbraw/zinc/71/50/21/562715021.db2.gz SBUXIQVGABXQNQ-BVYCBKJFSA-N 1 2 545.321 7.660 1 0 KKAFLO Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)[nH+]c3ccc(-c4nc5cc(F)ccc5[nH]4)cn32)cc1 ZINC000071316111 562717858 /nfs/dbraw/zinc/71/78/58/562717858.db2.gz HBHRRWOIDZQPBQ-UHFFFAOYSA-N 1 2 567.397 7.877 1 0 KKAFLO Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(N5CCCC5)[nH+]c4)c3)c3ccccc23)no1 ZINC000071318241 562718454 /nfs/dbraw/zinc/71/84/54/562718454.db2.gz YZDGXCRCEXGQBS-UHFFFAOYSA-N 1 2 555.660 5.061 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](c1cccc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000071318922 562718671 /nfs/dbraw/zinc/71/86/71/562718671.db2.gz CTKQJAZXBYUIDN-LJAQVGFWSA-N 1 2 528.052 5.014 1 0 KKAFLO C[NH+]1CCN(C(=S)SCCCOc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1 ZINC000071331172 562719251 /nfs/dbraw/zinc/71/92/51/562719251.db2.gz GGQFYBZWQJQKTG-UHFFFAOYSA-N 1 2 506.072 5.200 1 0 KKAFLO CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1nc(Nc2ccc(C(F)(F)F)cc2)c2c([nH+]1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000072115244 562722870 /nfs/dbraw/zinc/72/28/70/562722870.db2.gz QBAAPNYTIXKOSR-QFIPXVFZSA-N 1 2 665.683 7.460 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1cc2ccccc2o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072123488 562724744 /nfs/dbraw/zinc/72/47/44/562724744.db2.gz ADHPBAAQLYHJCU-UPESJHBVSA-N 1 2 504.638 5.446 3 0 KKAFLO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000072132794 562726842 /nfs/dbraw/zinc/72/68/42/562726842.db2.gz DYZVWXUOWDGLAY-LWMHEAGWSA-N 1 2 646.789 8.728 1 0 KKAFLO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000072132794 562726843 /nfs/dbraw/zinc/72/68/43/562726843.db2.gz DYZVWXUOWDGLAY-LWMHEAGWSA-N 1 2 646.789 8.728 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000072134063 562727118 /nfs/dbraw/zinc/72/71/18/562727118.db2.gz CBAAPWVHONFTKW-OMFJNPMTSA-N 1 2 724.843 6.039 3 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000072134063 562727119 /nfs/dbraw/zinc/72/71/19/562727119.db2.gz CBAAPWVHONFTKW-OMFJNPMTSA-N 1 2 724.843 6.039 3 0 KKAFLO FC(F)(F)Oc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072141091 562729277 /nfs/dbraw/zinc/72/92/77/562729277.db2.gz AMSQDRWNRBSLCK-FPVCCHAOSA-N 1 2 512.580 5.107 3 0 KKAFLO Brc1ccc(CCNc2nc(NCCc3ccc(Br)cc3)c3ccccc3[nH+]2)cc1 ZINC000072180883 562732629 /nfs/dbraw/zinc/73/26/29/562732629.db2.gz VBWYVNBAXRAIHV-UHFFFAOYSA-N 1 2 526.276 6.464 1 0 KKAFLO CC(C)c1ccc(S(=O)(=O)NC2CC[NH+]([C@H](c3ccc(C(F)(F)F)cc3)c3cnccn3)CC2)cc1 ZINC000072185294 562732930 /nfs/dbraw/zinc/73/29/30/562732930.db2.gz DGWLOPJVRSARLX-RUZDIDTESA-N 1 2 518.605 5.151 1 0 KKAFLO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073165768 562734420 /nfs/dbraw/zinc/73/44/20/562734420.db2.gz HOUXWOLEVINFDL-QHCPKHFHSA-N 1 2 513.465 5.371 1 0 KKAFLO O=C(c1cccc(Oc2ccccc2)c1)N1CC[NH+](CCN2CCN(Cc3cccc(Oc4ccccc4)c3)S2(=O)=O)CC1 ZINC000073224256 562736615 /nfs/dbraw/zinc/73/66/15/562736615.db2.gz HOVGDCNODRFGOJ-UHFFFAOYSA-N 1 2 612.752 5.092 1 0 KKAFLO CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082139995 562739298 /nfs/dbraw/zinc/73/92/98/562739298.db2.gz ATGYRPRUEPSKOP-GDLZYMKVSA-N 1 2 674.025 5.198 1 0 KKAFLO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140348 562739411 /nfs/dbraw/zinc/73/94/11/562739411.db2.gz OINORTIDHWOEEO-WJOKGBTCSA-N 1 2 675.053 6.488 1 0 KKAFLO CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082154733 562740381 /nfs/dbraw/zinc/74/03/81/562740381.db2.gz MOAZENNUYOIRBS-SSEXGKCCSA-N 1 2 688.052 5.588 1 0 KKAFLO O=C(CC(F)(F)F)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082156987 562740788 /nfs/dbraw/zinc/74/07/88/562740788.db2.gz RJJRPOTZGGWEKH-WJOKGBTCSA-N 1 2 687.159 5.390 1 0 KKAFLO COc1cc(-c2cn([C@H]3CC[C@H](c4ccccc4)CN(Cc4ccccc4)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084586834 562743461 /nfs/dbraw/zinc/74/34/61/562743461.db2.gz LPOUMFNXXSGLCK-FIBWVYCGSA-N 1 2 532.648 5.595 1 0 KKAFLO CCOc1c(C(=O)NCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Br)c2ccccc21 ZINC000084587395 562743501 /nfs/dbraw/zinc/74/35/01/562743501.db2.gz NCTMTTCLCOVETH-UHFFFAOYSA-N 1 2 550.419 5.572 1 0 KKAFLO CCCNc1nc(NCc2ccc(C(=O)NC3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c2cc(C)ccc2[nH+]1 ZINC000084596589 562743704 /nfs/dbraw/zinc/74/37/04/562743704.db2.gz VSYXMRHUJIGSKS-UHFFFAOYSA-N 1 2 554.670 5.546 1 0 KKAFLO Cc1cn2c(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)cnc2c(Nc2cc(C[NH+]3CCCCC3)ns2)n1 ZINC000084632651 562745577 /nfs/dbraw/zinc/74/55/77/562745577.db2.gz KBEMBPBFYDFWAD-UHFFFAOYSA-N 1 2 552.668 5.186 1 0 KKAFLO CCCNc1nc(NCc2ccc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)c2cc(C)ccc2[nH+]1 ZINC000084634540 562745907 /nfs/dbraw/zinc/74/59/07/562745907.db2.gz GJFXIAQFCPLDHR-UHFFFAOYSA-N 1 2 568.697 5.680 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@]4(F)CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654113 562747182 /nfs/dbraw/zinc/74/71/82/562747182.db2.gz WLDCXGNTAXVYLK-MUUNZHRXSA-N 1 2 519.504 5.267 1 0 KKAFLO Cc1[nH]ncc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084669686 562748055 /nfs/dbraw/zinc/74/80/55/562748055.db2.gz YAUSWTKLGZTLTH-XIFFEERXSA-N 1 2 582.793 7.363 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3cccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084670266 562748254 /nfs/dbraw/zinc/74/82/54/562748254.db2.gz MINSJXAFQKMCOK-UHFFFAOYSA-N 1 2 544.537 6.344 1 0 KKAFLO CCC(C)(C)C1C[C@H]2C(=O)[C@@H](C1)[C@@H](c1cc(OC)c(OC)c(OC)c1)[NH2+][C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000084687463 562748925 /nfs/dbraw/zinc/74/89/25/562748925.db2.gz ZAGQLKHZJYWEAS-RDHMKRPTSA-N 1 2 541.685 5.772 1 0 KKAFLO O=C(OCc1ccc(Cl)cc1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCC[NH+]5CCOCC5)c4cc32)cc1 ZINC000084704823 562749825 /nfs/dbraw/zinc/74/98/25/562749825.db2.gz GYKNZBGHXQJDIH-UHFFFAOYSA-N 1 2 574.037 5.014 1 0 KKAFLO CC(C)Cc1ccc([C@H](C)c2[nH+]c3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713288 562750915 /nfs/dbraw/zinc/75/09/15/562750915.db2.gz UGASTDYELDRSCE-VWLOTQADSA-N 1 2 560.141 9.216 1 0 KKAFLO COCCN(C(=O)c1sccc1Cl)[C@@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884063 562753084 /nfs/dbraw/zinc/75/30/84/562753084.db2.gz VYQHDBXDUIVOEH-IZZNHLLZSA-N 1 2 508.087 5.449 1 0 KKAFLO CCNC(=O)NCCCOc1cc(CCCOC)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000095548053 562759073 /nfs/dbraw/zinc/75/90/73/562759073.db2.gz QSMZHNDKHVVMTF-XDSPJLLDSA-N 1 2 769.811 7.311 1 0 KKAFLO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NCC(F)(F)F)c(F)cc2Cl)CC1 ZINC000095548048 562759076 /nfs/dbraw/zinc/75/90/76/562759076.db2.gz SRYDTZDBAKUSQN-FITHBNAOSA-N 1 2 764.261 7.549 1 0 KKAFLO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NCC(F)(F)F)c(F)cc2Cl)CC1 ZINC000095548048 562759077 /nfs/dbraw/zinc/75/90/77/562759077.db2.gz SRYDTZDBAKUSQN-FITHBNAOSA-N 1 2 764.261 7.549 1 0 KKAFLO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccncc3Br)cc2)oc2ccccc12 ZINC000095554766 562761370 /nfs/dbraw/zinc/76/13/70/562761370.db2.gz FUQLUAZHQYXAEW-UHFFFAOYSA-N 1 2 803.706 8.384 1 0 KKAFLO c1ccc(CN2CC[NH+](CCCc3ccc([C@H](c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000095560642 562763128 /nfs/dbraw/zinc/76/31/28/562763128.db2.gz YLUBGTJTYPZYJD-YJYHECCUSA-N 1 2 518.789 7.785 1 0 KKAFLO c1ccc(C[NH+]2CCN(CCCc3ccc([C@H](c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000095560642 562763129 /nfs/dbraw/zinc/76/31/29/562763129.db2.gz YLUBGTJTYPZYJD-YJYHECCUSA-N 1 2 518.789 7.785 1 0 KKAFLO CCCCc1sc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563376 562763963 /nfs/dbraw/zinc/76/39/63/562763963.db2.gz HMNSBKFTIMZTNM-UHFFFAOYSA-N 1 2 549.136 7.976 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)OCCCC[C@@H](C)O2 ZINC000095568335 562766539 /nfs/dbraw/zinc/76/65/39/562766539.db2.gz UDNMVFFCDRYNMO-DEMOTUPJSA-N 1 2 790.984 5.854 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)OCCCC[C@@H](C)O2 ZINC000095568335 562766540 /nfs/dbraw/zinc/76/65/40/562766540.db2.gz UDNMVFFCDRYNMO-DEMOTUPJSA-N 1 2 790.984 5.854 1 0 KKAFLO Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3cccc(Br)c3)[nH+]c12 ZINC000095569547 562767480 /nfs/dbraw/zinc/76/74/80/562767480.db2.gz JBQGUBRXJJRTQG-UHFFFAOYSA-N 1 2 524.178 7.444 3 0 KKAFLO COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(N(CC3CC3)CC3CC3)ccc2Cl)ccc1-n1c[nH+]c(C)c1 ZINC000095572987 562769552 /nfs/dbraw/zinc/76/95/52/562769552.db2.gz CPJZSAROFUMLRC-HSZRJFAPSA-N 1 2 544.103 6.048 1 0 KKAFLO CCCC[C@@H](OC(=O)CN1CCCC1)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@@H](CCCC)OC(=O)C[NH+]1CCCC1 ZINC000095582810 562772752 /nfs/dbraw/zinc/77/27/52/562772752.db2.gz FAGSBLZOBVEPGN-GRZXRCNGSA-N 1 2 748.914 5.976 1 0 KKAFLO CCCC[C@@H](OC(=O)CN1CCCC1)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@@H](CCCC)OC(=O)C[NH+]3CCCC3)CO[C@@H]21 ZINC000095582810 562772753 /nfs/dbraw/zinc/77/27/53/562772753.db2.gz FAGSBLZOBVEPGN-GRZXRCNGSA-N 1 2 748.914 5.976 1 0 KKAFLO O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(C[NH+]3CCC3)c2)cc1F ZINC000095583709 562773007 /nfs/dbraw/zinc/77/30/07/562773007.db2.gz WIJCNFOHKZZGGH-UHFFFAOYSA-N 1 2 550.012 5.331 1 0 KKAFLO c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c2-c2ccccc2)cc1 ZINC000095586589 562774032 /nfs/dbraw/zinc/77/40/32/562774032.db2.gz WJZFQVASDXYGQZ-UHFFFAOYSA-N 1 2 604.842 10.764 1 0 KKAFLO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095591306 562775554 /nfs/dbraw/zinc/77/55/54/562775554.db2.gz XEQBXYQVXCOMPG-UHFFFAOYSA-N 1 2 547.490 5.096 1 0 KKAFLO CCCCOc1ccc2c3ccnc(C)c3n(CCCCCCn3c4cc(OCCCC)ccc4c4cc[nH+]c(C)c43)c2c1 ZINC000095593376 562776225 /nfs/dbraw/zinc/77/62/25/562776225.db2.gz YBMKGSZEBBXUAB-UHFFFAOYSA-N 1 2 590.812 9.928 1 0 KKAFLO Cc1cc(NC2CCCC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NC5CCCC5)cc(C)[nH+]4)cc3)cc2)n1 ZINC000095595270 562776666 /nfs/dbraw/zinc/77/66/66/562776666.db2.gz TUSSUAQUFMOZFU-UHFFFAOYSA-N 1 2 636.845 8.708 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599328 562778018 /nfs/dbraw/zinc/77/80/18/562778018.db2.gz CBAAPWVHONFTKW-OGIDDNHMSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599328 562778019 /nfs/dbraw/zinc/77/80/19/562778019.db2.gz CBAAPWVHONFTKW-OGIDDNHMSA-N 1 2 724.843 6.039 1 0 KKAFLO O=C(OCc1ccccc1)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC[NH+]2CCOCC2)c1 ZINC000095602789 562780223 /nfs/dbraw/zinc/78/02/23/562780223.db2.gz XTTDEDUWWIJQHC-UHFFFAOYSA-N 1 2 577.725 6.432 1 0 KKAFLO COc1ccc(C[N@H+](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 562780301 /nfs/dbraw/zinc/78/03/01/562780301.db2.gz XGMQKVJTWVADHD-PUNARZIMSA-N 1 2 714.826 7.286 1 0 KKAFLO COc1ccc(C[N@@H+](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 562780302 /nfs/dbraw/zinc/78/03/02/562780302.db2.gz XGMQKVJTWVADHD-PUNARZIMSA-N 1 2 714.826 7.286 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095603032 562780317 /nfs/dbraw/zinc/78/03/17/562780317.db2.gz QZVOXXCTPHCQDU-NOMHHCBYSA-N 1 2 575.672 5.576 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095603032 562780318 /nfs/dbraw/zinc/78/03/18/562780318.db2.gz QZVOXXCTPHCQDU-NOMHHCBYSA-N 1 2 575.672 5.576 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604269 562780931 /nfs/dbraw/zinc/78/09/31/562780931.db2.gz CBAAPWVHONFTKW-KSUBRIHNSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604269 562780932 /nfs/dbraw/zinc/78/09/32/562780932.db2.gz CBAAPWVHONFTKW-KSUBRIHNSA-N 1 2 724.843 6.039 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095605081 562781309 /nfs/dbraw/zinc/78/13/09/562781309.db2.gz NLNOREAGNASAOL-XZSHTLEFSA-N 1 2 643.872 5.476 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095605081 562781310 /nfs/dbraw/zinc/78/13/10/562781310.db2.gz NLNOREAGNASAOL-XZSHTLEFSA-N 1 2 643.872 5.476 1 0 KKAFLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174065 562791605 /nfs/dbraw/zinc/79/16/05/562791605.db2.gz VXCXGJXDHCZFND-UHFFFAOYSA-N 1 2 531.595 5.150 1 0 KKAFLO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174067 562791675 /nfs/dbraw/zinc/79/16/75/562791675.db2.gz LRRMBXULUVDIRA-UHFFFAOYSA-N 1 2 543.631 5.020 1 0 KKAFLO O=C(Nc1nc2cc(Cl)ccc2o1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258273 562792880 /nfs/dbraw/zinc/79/28/80/562792880.db2.gz QQCSAJRNBXVHFE-UHFFFAOYSA-N 1 2 519.045 5.870 1 0 KKAFLO C[C@@H](Sc1cc(-c2ccc(C(=O)N3CC[NH+](C)CC3)c(F)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285922 562795945 /nfs/dbraw/zinc/79/59/45/562795945.db2.gz FGURHPQRVNDCDB-CQSZACIVSA-N 1 2 537.463 6.157 1 0 KKAFLO O=C(CCc1cccc2ccccc21)c1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000096892368 562796710 /nfs/dbraw/zinc/79/67/10/562796710.db2.gz JPIHNTRSRAFIKN-LJAQVGFWSA-N 1 2 512.625 5.356 1 0 KKAFLO C[C@]1(c2ccc(Nc3nc(NCc4ccccc4)[nH+]c(NCc4ccccc4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909698 562799685 /nfs/dbraw/zinc/79/96/85/562799685.db2.gz VCNQNTRRAYZLIK-YTTGMZPUSA-N 1 2 542.647 5.868 1 0 KKAFLO C[C@@]1(c2ccc(Nc3nc(N4CCc5ccccc5C4)[nH+]c(N4CCc5ccccc5C4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909937 562799833 /nfs/dbraw/zinc/79/98/33/562799833.db2.gz ZZQZVQSLKZRECT-PSXMRANNSA-N 1 2 594.723 5.769 1 0 KKAFLO CCCCCNc1nc(Nc2ccc([C@@]3(C)Nc4ccccc4C(=O)N3)cc2)nc(NCCCCC)[nH+]1 ZINC000096909939 562799856 /nfs/dbraw/zinc/79/98/56/562799856.db2.gz GJTONGNJEZANNM-NDEPHWFRSA-N 1 2 502.667 5.848 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2cccc(-c3ccccc3)c2)cc1OC ZINC000096913902 562800448 /nfs/dbraw/zinc/80/04/48/562800448.db2.gz WQYALTWCZASJOH-LJAQVGFWSA-N 1 2 552.671 6.169 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2cccc(-c3ccccc3)c2)cc1OC ZINC000096913902 562800449 /nfs/dbraw/zinc/80/04/49/562800449.db2.gz WQYALTWCZASJOH-LJAQVGFWSA-N 1 2 552.671 6.169 1 0 KKAFLO O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)NCc1cn(Cc2ccccc2Nc2cc[nH+]c3cc(Cl)ccc23)nn1)c1ccccc1 ZINC000096914879 562800874 /nfs/dbraw/zinc/80/08/74/562800874.db2.gz NVNKSRLGXOUSJT-JHOUSYSJSA-N 1 2 632.124 5.420 1 0 KKAFLO O=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000096935004 562804022 /nfs/dbraw/zinc/80/40/22/562804022.db2.gz GRXZJHUQKQOXSO-UHFFFAOYSA-N 1 2 509.513 5.984 1 0 KKAFLO O=C(CCc1cccc2ccccc21)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000096941820 562805124 /nfs/dbraw/zinc/80/51/24/562805124.db2.gz YGNNZOVTINYERV-GDLZYMKVSA-N 1 2 512.625 5.356 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCC[NH+]2CCN(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)CC2)cc1 ZINC000098207864 562805922 /nfs/dbraw/zinc/80/59/22/562805922.db2.gz DWTWTHMDBSOYDZ-UHFFFAOYSA-N 1 2 639.849 6.241 1 0 in-vitro KKAFLO C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)[C@@H]1[NH2+]C=C(CCc2ccccc2)S1 ZINC000100645818 562807227 /nfs/dbraw/zinc/80/72/27/562807227.db2.gz IQSWDZUJSSCOIV-XYYNAAHOSA-N 1 2 541.761 7.157 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccccc2Br)nc(NC[NH+]2CCCCC2)n1 ZINC000103168749 562814714 /nfs/dbraw/zinc/81/47/14/562814714.db2.gz VGQPKAHMTNMGGO-UHFFFAOYSA-N 1 2 570.285 6.297 1 0 KKAFLO CCC(CC)C(=O)Nc1ccc(N2CC[NH+]([C@H](C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 ZINC000103226319 562817797 /nfs/dbraw/zinc/81/77/97/562817797.db2.gz DCOYPMCEVNLQHK-SANMLTNESA-N 1 2 500.634 5.071 1 0 KKAFLO O=C(Nc1nnc(-c2ccccc2)o1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253786 562820553 /nfs/dbraw/zinc/82/05/53/562820553.db2.gz UCQJBAUFWHOQDV-UHFFFAOYSA-N 1 2 511.626 5.125 1 0 KKAFLO O=C(Nc1nnc(-c2ccccc2)s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253788 562820573 /nfs/dbraw/zinc/82/05/73/562820573.db2.gz IHSKHCSVAGJQOH-UHFFFAOYSA-N 1 2 527.694 5.593 1 0 KKAFLO O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(NCCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103276506 562823199 /nfs/dbraw/zinc/82/31/99/562823199.db2.gz KDVNWGCDXNWZLT-SSEXGKCCSA-N 1 2 611.599 5.793 1 0 KKAFLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCCC[NH+]3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000103277781 562823306 /nfs/dbraw/zinc/82/33/06/562823306.db2.gz HODXSMOKTRSFFX-WJOKGBTCSA-N 1 2 605.208 5.757 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCCC)n1Cc1ccc(S(=O)(=O)NC(F)(F)F)cc1 ZINC000103296935 562824586 /nfs/dbraw/zinc/82/45/86/562824586.db2.gz BPICHWHEATXJIM-QJOMJCCJSA-N 1 2 583.677 5.277 1 0 KKAFLO C[NH+](C)Cc1ccc(Nc2c3cc(-c4cc(Cl)c(O)c(Cl)c4)ccc3ncc2S(C)(=O)=O)cc1 ZINC000114035059 562826958 /nfs/dbraw/zinc/82/69/58/562826958.db2.gz DUQDUIGEUPGYQY-UHFFFAOYSA-N 1 2 516.450 6.123 1 0 KKAFLO COC(=O)c1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)cc(N)[nH+]2)cn1C(=O)OC(C)(C)C ZINC000116235770 562829340 /nfs/dbraw/zinc/82/93/40/562829340.db2.gz CHXDAMYYTDOXGJ-UHFFFAOYSA-N 1 2 575.597 6.586 1 0 KKAFLO Brc1c2nc(NCCCn3cc[nH+]c3)[nH]c2c(Br)c(Br)c1Br ZINC000117195824 562829701 /nfs/dbraw/zinc/82/97/01/562829701.db2.gz KFTYGBHADBMRCK-UHFFFAOYSA-N 1 2 556.882 5.312 1 0 KKAFLO Cc1[nH+]c2ccccc2n1CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140322508 562833017 /nfs/dbraw/zinc/83/30/17/562833017.db2.gz ZQROFVYWMAJWLK-MHZLTWQESA-N 1 2 516.711 6.393 1 0 KKAFLO C[C@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000142003979 562833910 /nfs/dbraw/zinc/83/39/10/562833910.db2.gz BSIUBDGVJIJBLB-JWQCQUIFSA-N 1 2 563.754 7.715 1 0 KKAFLO Cc1cc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cnc1N(C)C(=O)OC(C)(C)C ZINC000146941768 562838926 /nfs/dbraw/zinc/83/89/26/562838926.db2.gz POLNUZKLYNIOKF-UHFFFAOYSA-N 1 2 554.573 6.427 1 0 KKAFLO COc1cc(-c2cn([C@H]3C[C@H](C)c4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000147450359 562839397 /nfs/dbraw/zinc/83/93/97/562839397.db2.gz CCOCBFYPTBYLCA-HJPURHCSSA-N 1 2 510.520 5.092 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 ZINC000150550689 562844575 /nfs/dbraw/zinc/84/45/75/562844575.db2.gz OTCWDIPDRRZBOS-DTSDQNDWSA-N 1 2 734.967 8.019 1 0 KKAFLO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CC[NH+]3CCOCC3)sc2Cl)cc1 ZINC000150599792 562847055 /nfs/dbraw/zinc/84/70/55/562847055.db2.gz QCDLMADYWHJZRQ-UHFFFAOYSA-N 1 2 676.211 5.777 1 0 KKAFLO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3F)c3ccccc3F)CC[NH+]3CCOCC3)sc2Cl)cc1 ZINC000150599777 562847062 /nfs/dbraw/zinc/84/70/62/562847062.db2.gz DFQQZWBQDDXPNU-UHFFFAOYSA-N 1 2 676.211 5.777 1 0 KKAFLO CCCOc1ccc(-c2cc([C@@H](C(=O)OCCOCCO)n3cc4nc(-c5cccc(F)c5F)nc-4c[nH+]3)on2)c(C(F)(F)F)c1 ZINC000150606408 562847949 /nfs/dbraw/zinc/84/79/49/562847949.db2.gz BWTYSDDDRNNKFV-MHZLTWQESA-N 1 2 647.557 5.327 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000164634978 562849696 /nfs/dbraw/zinc/84/96/96/562849696.db2.gz OILKPXUBRGRVPF-NDEPHWFRSA-N 1 2 635.165 5.621 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000164634978 562849697 /nfs/dbraw/zinc/84/96/97/562849697.db2.gz OILKPXUBRGRVPF-NDEPHWFRSA-N 1 2 635.165 5.621 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cc(C(C)(C)C)no3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165384335 562850181 /nfs/dbraw/zinc/85/01/81/562850181.db2.gz XZXGCFYUGHNDOE-UHFFFAOYSA-N 1 2 722.640 8.603 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165392751 562850198 /nfs/dbraw/zinc/85/01/98/562850198.db2.gz QSOTYXAGICENKT-UHFFFAOYSA-N 1 2 713.535 8.282 1 0 KKAFLO Fc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1 ZINC000169323761 562857130 /nfs/dbraw/zinc/85/71/30/562857130.db2.gz SCGNGRMMHVYNAQ-UHFFFAOYSA-N 1 2 586.075 6.187 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccsc3)c2)cc1F ZINC000169344655 562861453 /nfs/dbraw/zinc/86/14/53/562861453.db2.gz DOTUMOAINSRLGC-UHFFFAOYSA-N 1 2 662.809 6.720 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cccc(C(F)(F)F)n3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700923 562867774 /nfs/dbraw/zinc/86/77/74/562867774.db2.gz JCCOVQFICPCEAW-UHFFFAOYSA-N 1 2 744.568 8.731 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NCCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700914 562867792 /nfs/dbraw/zinc/86/77/92/562867792.db2.gz QRWLLNNFEUZEOF-UHFFFAOYSA-N 1 2 663.519 7.204 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(Cl)c(F)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700924 562867796 /nfs/dbraw/zinc/86/77/96/562867796.db2.gz HOOISQMJMBVSLO-UHFFFAOYSA-N 1 2 728.018 9.110 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700908 562867803 /nfs/dbraw/zinc/86/78/03/562867803.db2.gz OLEIAWXIMYNQDG-UHFFFAOYSA-N 1 2 713.535 8.282 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)N[C@H](Cc3ccccc3)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700917 562867817 /nfs/dbraw/zinc/86/78/17/562867817.db2.gz GMMMMSVTUNACQG-AREMUKBSSA-N 1 2 725.590 8.035 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3(c4ccc(F)cc4)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700926 562867833 /nfs/dbraw/zinc/86/78/33/562867833.db2.gz YFCXRYIXDBZJOS-UHFFFAOYSA-N 1 2 733.638 8.623 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@@H]4C3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701013 562867837 /nfs/dbraw/zinc/86/78/37/562867837.db2.gz FENPRELOFBYQTQ-CALCHBBNSA-N 1 2 625.523 6.424 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@@H]4C3)c(C(=O)Nc3ccc(Cl)c(F)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700939 562867851 /nfs/dbraw/zinc/86/78/51/562867851.db2.gz VQWBQEZQTSHLPK-HDICACEKSA-N 1 2 658.005 7.787 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2cccc(O)c2)c1Cl ZINC000169701046 562867867 /nfs/dbraw/zinc/86/78/67/562867867.db2.gz SLXBQUQYMPVPBV-UHFFFAOYSA-N 1 2 731.525 7.720 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701057 562867957 /nfs/dbraw/zinc/86/79/57/562867957.db2.gz PGFBQQIJLCRQAI-QGZVFWFLSA-N 1 2 699.508 7.687 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NCC3CCCCC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703112 562868632 /nfs/dbraw/zinc/86/86/32/562868632.db2.gz WARJQENJITYIBY-UHFFFAOYSA-N 1 2 624.560 7.240 1 0 KKAFLO COCC1(CNC(=O)c2cc3[nH+]c(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2OCC(F)F)CCCC1 ZINC000169703107 562868636 /nfs/dbraw/zinc/86/86/36/562868636.db2.gz AYZJMAYSQNEGPD-UHFFFAOYSA-N 1 2 654.586 6.867 1 0 KKAFLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710460 562870669 /nfs/dbraw/zinc/87/06/69/562870669.db2.gz KVKDGPWMYMGPDD-XMMPIXPASA-N 1 2 512.635 5.927 1 0 KKAFLO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)cc1Cl ZINC000199984582 562873198 /nfs/dbraw/zinc/87/31/98/562873198.db2.gz FCOOPXVYPSIDIH-OAQYLSRUSA-N 1 2 511.047 5.023 1 0 KKAFLO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)cc1Cl ZINC000199984582 562873199 /nfs/dbraw/zinc/87/31/99/562873199.db2.gz FCOOPXVYPSIDIH-OAQYLSRUSA-N 1 2 511.047 5.023 1 0 KKAFLO CC(=O)c1c[nH+]c2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000203988606 562874299 /nfs/dbraw/zinc/87/42/99/562874299.db2.gz ACOKRCBMSBHNLP-UHFFFAOYSA-N 1 2 536.463 6.316 1 0 KKAFLO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC(NS(=O)(=O)C(F)(F)F)CC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000221085165 562878756 /nfs/dbraw/zinc/87/87/56/562878756.db2.gz QRAVGMFIBQNBCQ-MUTWLIAXSA-N 1 2 693.591 5.749 1 0 KKAFLO C[C@H](c1ccc(C(C)(C)C)nc1)[N@@H+]1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224834054 562880562 /nfs/dbraw/zinc/88/05/62/562880562.db2.gz DUVASYYCXRCGHW-XMMPIXPASA-N 1 2 577.810 7.951 1 0 KKAFLO C[C@H](c1ccc(C(C)(C)C)nc1)[N@H+]1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224834054 562880563 /nfs/dbraw/zinc/88/05/63/562880563.db2.gz DUVASYYCXRCGHW-XMMPIXPASA-N 1 2 577.810 7.951 1 0 KKAFLO Cn1c[nH+]cc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc21 ZINC000225117763 562880758 /nfs/dbraw/zinc/88/07/58/562880758.db2.gz VNSVATQWDHZDBL-UHFFFAOYSA-N 1 2 532.544 6.323 1 0 KKAFLO O=C1C[N@H+]([C@H]2CC[C@](c3ccccc3)(N3CCC[C@@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC2)CCN1c1ccccc1 ZINC000253673706 562882727 /nfs/dbraw/zinc/88/27/27/562882727.db2.gz AKDFSCPPNYDWHG-KIWNCAKMSA-N 1 2 643.672 7.617 1 0 KKAFLO O=C1C[N@@H+]([C@H]2CC[C@](c3ccccc3)(N3CCC[C@@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC2)CCN1c1ccccc1 ZINC000253673706 562882728 /nfs/dbraw/zinc/88/27/28/562882728.db2.gz AKDFSCPPNYDWHG-KIWNCAKMSA-N 1 2 643.672 7.617 1 0 KKAFLO C[C@H](CCCN1CC[NH+](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 562892967 /nfs/dbraw/zinc/89/29/67/562892967.db2.gz GPVXIGQHZJBBLC-OEZDDPMWSA-N 1 2 514.839 6.123 1 0 KKAFLO COc1cc2c(cc1OCc1ccccc1)nncc2-c1c[nH+]c(N2CCC(O)(c3ccc(F)nc3)CC2)c(C)c1 ZINC000299863708 562893937 /nfs/dbraw/zinc/89/39/37/562893937.db2.gz LKOWDPCBRMGLEM-UHFFFAOYSA-N 1 2 551.622 5.610 1 0 KKAFLO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccn3cc[nH+]c3c2)n1 ZINC000299870161 562895434 /nfs/dbraw/zinc/89/54/34/562895434.db2.gz VYGROVXFZCNUMO-UHFFFAOYSA-N 1 2 510.623 5.340 1 0 KKAFLO CN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(cc[nH+]c4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473086376 562897043 /nfs/dbraw/zinc/89/70/43/562897043.db2.gz BQDPZWLRCOSAEP-UHFFFAOYSA-N 1 2 617.146 6.953 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473086376 562897044 /nfs/dbraw/zinc/89/70/44/562897044.db2.gz BQDPZWLRCOSAEP-UHFFFAOYSA-N 1 2 617.146 6.953 1 0 KKAFLO O=S(=O)(c1ccc(-c2ccc3c(cc[nH+]c3Nc3ccc(OCc4ccccc4)c(Cl)c3)c2)cc1)N1CCOCC1 ZINC000473086680 562897090 /nfs/dbraw/zinc/89/70/90/562897090.db2.gz CFMWLCNLOZKZLI-UHFFFAOYSA-N 1 2 586.113 6.899 1 0 KKAFLO CCCOc1ccc(C[C@@H]2c3cc(OCCC)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088043 562897265 /nfs/dbraw/zinc/89/72/65/562897265.db2.gz NNWDINKTUBHNLR-MUUNZHRXSA-N 1 2 546.708 5.740 1 0 KKAFLO CCCOc1ccc(C[C@@H]2c3cc(OCCC)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088043 562897266 /nfs/dbraw/zinc/89/72/66/562897266.db2.gz NNWDINKTUBHNLR-MUUNZHRXSA-N 1 2 546.708 5.740 1 0 KKAFLO O=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000473099123 562897976 /nfs/dbraw/zinc/89/79/76/562897976.db2.gz GIAOYJPAUJZYQG-ZULHAIFZSA-N 1 2 608.525 6.740 1 0 KKAFLO O=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000473099123 562897977 /nfs/dbraw/zinc/89/79/77/562897977.db2.gz GIAOYJPAUJZYQG-ZULHAIFZSA-N 1 2 608.525 6.740 1 0 KKAFLO O=C1Nc2ccccc2[C@@]12[N@H+]1CCC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473111474 562898589 /nfs/dbraw/zinc/89/85/89/562898589.db2.gz ZTVJFXYTEZGANB-SFUJYVBYSA-N 1 2 518.400 5.145 1 0 KKAFLO O=C1Nc2ccccc2[C@@]12[N@@H+]1CCC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473111474 562898590 /nfs/dbraw/zinc/89/85/90/562898590.db2.gz ZTVJFXYTEZGANB-SFUJYVBYSA-N 1 2 518.400 5.145 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C(C)=O)C2CCCCC2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000473114359 562898906 /nfs/dbraw/zinc/89/89/06/562898906.db2.gz NANYDKODZUUJMW-YTFBDJPQSA-N 1 2 678.867 5.799 1 0 KKAFLO Cc1ccc(Nc2c(C(N)=O)c[nH+]c3ccc(-c4csc(NC(=S)Nc5ccccc5)n4)cc32)cc1 ZINC000473121067 562899395 /nfs/dbraw/zinc/89/93/95/562899395.db2.gz FDKBDGQAGAOHBU-UHFFFAOYSA-N 1 2 510.648 5.740 1 0 KKAFLO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3cc(C(F)(F)F)c(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473182926 562903553 /nfs/dbraw/zinc/90/35/53/562903553.db2.gz AMVINJQBLYGSSE-RZDIXWSQSA-N 1 2 580.478 7.480 1 0 KKAFLO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)N2CC[NH+](C)CC2)CC1 ZINC000473197882 562903703 /nfs/dbraw/zinc/90/37/03/562903703.db2.gz LCTQGIDNSIUJKX-XGAFWQRZSA-N 1 2 555.506 5.283 1 0 KKAFLO O=C([O-])C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215494 562904000 /nfs/dbraw/zinc/90/40/00/562904000.db2.gz RPYQPXALUIMCMA-QEUZYAONSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215494 562904001 /nfs/dbraw/zinc/90/40/01/562904001.db2.gz RPYQPXALUIMCMA-QEUZYAONSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[NH+]1CCCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215494 562904002 /nfs/dbraw/zinc/90/40/02/562904002.db2.gz RPYQPXALUIMCMA-QEUZYAONSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[NH+]1CCCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215494 562904003 /nfs/dbraw/zinc/90/40/03/562904003.db2.gz RPYQPXALUIMCMA-QEUZYAONSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C1CCCCCCCCC1 ZINC000473215337 562904055 /nfs/dbraw/zinc/90/40/55/562904055.db2.gz IURPDTABZSLANC-HOSLJWMQSA-N 1 2 520.762 7.099 1 0 KKAFLO O=C([O-])C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C1CCCCCCCCC1 ZINC000473215337 562904056 /nfs/dbraw/zinc/90/40/56/562904056.db2.gz IURPDTABZSLANC-HOSLJWMQSA-N 1 2 520.762 7.099 1 0 KKAFLO O=C([O-])C[NH+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCCCCC1 ZINC000473215337 562904057 /nfs/dbraw/zinc/90/40/57/562904057.db2.gz IURPDTABZSLANC-HOSLJWMQSA-N 1 2 520.762 7.099 1 0 KKAFLO O=C([O-])C[NH+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCCCCC1 ZINC000473215337 562904058 /nfs/dbraw/zinc/90/40/58/562904058.db2.gz IURPDTABZSLANC-HOSLJWMQSA-N 1 2 520.762 7.099 1 0 KKAFLO CC(=O)N1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)[nH+]c(C)n4)c3)cn2)CC1 ZINC000653676840 562906278 /nfs/dbraw/zinc/90/62/78/562906278.db2.gz XVCZAFIFQHCYIT-NRFANRHFSA-N 1 2 547.663 5.805 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3cc(OC)ccc3OC)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653697647 562907085 /nfs/dbraw/zinc/90/70/85/562907085.db2.gz FOGGUCJFKCJKDQ-UHFFFAOYSA-N 1 2 658.763 5.768 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653714289 562908403 /nfs/dbraw/zinc/90/84/03/562908403.db2.gz VDQVKSHPXITIDR-UHFFFAOYSA-N 1 2 628.737 5.759 1 0 KKAFLO Cc1cc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)c[nH+]c1N1CCOCC1 ZINC000653755678 562910903 /nfs/dbraw/zinc/91/09/03/562910903.db2.gz QONTTZGMYZOGIL-UHFFFAOYSA-N 1 2 562.070 7.013 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1OCc1cccc(Cl)c1)Cc1ccccc1OCc1cccc(Cl)c1)C(=O)[O-] ZINC000653760957 562911357 /nfs/dbraw/zinc/91/13/57/562911357.db2.gz SONVGYSMKYWPIC-LJAQVGFWSA-N 1 2 579.524 6.956 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1Oc1ccc(Cl)cc1)Cc1ccccc1Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000653760976 562911359 /nfs/dbraw/zinc/91/13/59/562911359.db2.gz UOCICUPZUHGXCB-MHZLTWQESA-N 1 2 551.470 7.382 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000653765622 562911634 /nfs/dbraw/zinc/91/16/34/562911634.db2.gz VVEOCHUKTLFGTG-HHHXNRCGSA-N 1 2 599.468 5.644 1 0 KKAFLO O=C(Nc1ccc(Br)cc1)Nc1ccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)cc1 ZINC000653826045 562914429 /nfs/dbraw/zinc/91/44/29/562914429.db2.gz ASQKDHGOQUCKDU-UHFFFAOYSA-N 1 2 566.456 5.557 1 0 KKAFLO Cc1ccc2[nH+]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000653845329 562915101 /nfs/dbraw/zinc/91/51/01/562915101.db2.gz KWLJBBUJPGJTAB-UIOOFZCWSA-N 1 2 512.610 5.795 1 0 KKAFLO COCc1c(C(=O)OCc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc2n1Cc1ccc(Cl)cc1 ZINC000653899253 562917421 /nfs/dbraw/zinc/91/74/21/562917421.db2.gz CCJYUOXYGIPTLS-UHFFFAOYSA-N 1 2 598.502 5.751 1 0 KKAFLO Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCC[NH+]5CCOCC5)cc43)cc2Cl)c1 ZINC000653897492 562917434 /nfs/dbraw/zinc/91/74/34/562917434.db2.gz YDGSENSUZKXRDO-UHFFFAOYSA-N 1 2 567.090 5.364 1 0 KKAFLO COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CC[N@H+]2C)cc1 ZINC000073296553 565121551 /nfs/dbraw/zinc/12/15/51/565121551.db2.gz IYPTVLFIJCXNFC-MHZLTWQESA-N 1 2 606.675 6.606 1 0 biogenic,in-vitro KKAFLO COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CC[N@@H+]2C)cc1 ZINC000073296553 565121554 /nfs/dbraw/zinc/12/15/54/565121554.db2.gz IYPTVLFIJCXNFC-MHZLTWQESA-N 1 2 606.675 6.606 1 0 biogenic,in-vitro KKAFLO C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@H](c2ccc(N)[nH+]c2)[C@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 ZINC000085594636 565152117 /nfs/dbraw/zinc/15/21/17/565152117.db2.gz QCAHZOZUEVNZFR-OPVLNOHPSA-N 1 2 624.734 5.024 1 0 biogenic,in-vitro KKAFLO C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1)C1CCCC1 ZINC000085595217 565152830 /nfs/dbraw/zinc/15/28/30/565152830.db2.gz GYSKTVWOEHREMZ-JOSOHQEHSA-N 1 2 626.706 5.715 1 0 biogenic,in-vitro KKAFLO C/C=C(\C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1)C1CCCC1 ZINC000085595217 565152833 /nfs/dbraw/zinc/15/28/33/565152833.db2.gz GYSKTVWOEHREMZ-JOSOHQEHSA-N 1 2 626.706 5.715 1 0 biogenic,in-vitro KKAFLO CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1cc[nH+]c(N)c1)C[C@@H](OC(C)=O)[C@@H]1C[C@@H]2C[C@H](CC[C@@H]2C(C)C)C[C@@H](CO)C1 ZINC000085629311 565161747 /nfs/dbraw/zinc/16/17/47/565161747.db2.gz IQZAXHAIALNNPV-YGURIUALSA-N 1 2 654.845 5.691 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@H]4[C@H](C=C[C@@H](OC)C[C@H]4[C@@H](O)C2)C[C@H]3C(C)C)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629294 565161795 /nfs/dbraw/zinc/16/17/95/565161795.db2.gz XGOXDMOCCYXBDP-YLCVEGIYSA-N 1 2 692.894 6.508 1 0 biogenic,in-vitro KKAFLO C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)[nH+]c2)[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 ZINC000085594644 291885216 /nfs/dbraw/zinc/88/52/16/291885216.db2.gz HHUZKZAZPAXXDF-JGHBQUIBSA-N 1 2 634.773 6.685 1 0 biogenic,in-vitro KKAFLO CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4[C@H](CN4C(=O)C=CC4=O)c4cc[nH+]c(N)c4)C(=O)O/C5=C\CCC4CCCCC4)[C@@H]32)CCCC1 ZINC000085571165 291920525 /nfs/dbraw/zinc/92/05/25/291920525.db2.gz PWDDUDDXGCLCNA-MLSFVMLKSA-N 1 2 717.907 7.914 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4[NH2+][C@@H](C)CC5(CCCC5)[C@@]4(CC(=O)[O-])Cc4cc[nH+]c(N)c4)c3)O2)ccc1O ZINC000085596571 291969786 /nfs/dbraw/zinc/96/97/86/291969786.db2.gz XBSIQVHXPAJXOH-BFSIFTBLSA-N 1 2 719.876 5.699 1 0 biogenic,in-vitro KKAFLO CNC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000003942352 561689466 /nfs/dbraw/zinc/68/94/66/561689466.db2.gz YEVRFOQFAUPFAJ-UHFFFAOYSA-N 1 2 628.745 7.279 1 0 KKAFLO CNC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000003942352 561689467 /nfs/dbraw/zinc/68/94/67/561689467.db2.gz YEVRFOQFAUPFAJ-UHFFFAOYSA-N 1 2 628.745 7.279 1 0 KKAFLO COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000003915007 561684724 /nfs/dbraw/zinc/68/47/24/561684724.db2.gz ZAZSYTWHKWLFFU-UHFFFAOYSA-N 1 2 570.593 5.153 1 0 KKAFLO [O-][n+]1ccc(C[C@H](c2ccc(NCc3ccccc3)[nH+]c2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013487917 561715355 /nfs/dbraw/zinc/71/53/55/561715355.db2.gz CBGQPZWENDUDMW-QFIPXVFZSA-N 1 2 513.491 5.905 1 0 KKAFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489488 561715851 /nfs/dbraw/zinc/71/58/51/561715851.db2.gz HAVQZHBSNHGZME-GDLZYMKVSA-N 1 2 516.428 5.939 1 0 KKAFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489494 561715913 /nfs/dbraw/zinc/71/59/13/561715913.db2.gz ZYJDBHSEWMJVRV-MUUNZHRXSA-N 1 2 518.400 5.385 1 0 KKAFLO C[C@H](Nc1cc(-c2[nH]c(SCc3ccc([S@](C)=O)cc3)nc2-c2ccc(F)cc2)cc[nH+]1)c1ccccc1 ZINC000014177075 561737447 /nfs/dbraw/zinc/73/74/47/561737447.db2.gz SZLYSQJIZDNCQP-JVKYNMQJSA-N 1 2 542.705 7.481 1 0 KKAFLO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CC4)cc3F)cc12 ZINC000014951136 561745913 /nfs/dbraw/zinc/74/59/13/561745913.db2.gz SASAKMVEBSDLDN-UHFFFAOYSA-N 1 2 536.489 5.489 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[NH+]2CCCC2)c1Cl ZINC000014963046 561748841 /nfs/dbraw/zinc/74/88/41/561748841.db2.gz DGAZPLXRUCDHFC-UHFFFAOYSA-N 1 2 539.872 6.212 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@H+](C)C[C@H](C)O)c1Cl ZINC000014963066 561748851 /nfs/dbraw/zinc/74/88/51/561748851.db2.gz LAIGHZMYXBMUOH-LBPRGKRZSA-N 1 2 557.887 5.429 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@@H+](C)C[C@H](C)O)c1Cl ZINC000014963066 561748853 /nfs/dbraw/zinc/74/88/53/561748853.db2.gz LAIGHZMYXBMUOH-LBPRGKRZSA-N 1 2 557.887 5.429 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@H]3C(SC)=CC(C)(C)C[C@H]3S1)N(Cc1ccccc1)CC[N@@H+]2Cc1ccccc1 ZINC000019320054 561758329 /nfs/dbraw/zinc/75/83/29/561758329.db2.gz HFNMXHLBLCDVMK-FTJBHMTQSA-N 1 2 578.800 5.709 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@H]3C(SC)=CC(C)(C)C[C@H]3S1)N(Cc1ccccc1)CC[N@H+]2Cc1ccccc1 ZINC000019320054 561758331 /nfs/dbraw/zinc/75/83/31/561758331.db2.gz HFNMXHLBLCDVMK-FTJBHMTQSA-N 1 2 578.800 5.709 1 0 KKAFLO CN1CC[NH+](CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 ZINC000022449354 561759193 /nfs/dbraw/zinc/75/91/93/561759193.db2.gz IAGMQISKNISZPR-UHFFFAOYSA-N 1 2 579.770 5.772 1 0 KKAFLO COc1cccc([C@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(Br)c2)c1 ZINC000022925563 561759683 /nfs/dbraw/zinc/75/96/83/561759683.db2.gz ZVXTZYNQLSAYCQ-BKUMGXLKSA-N 1 2 521.499 5.895 1 0 KKAFLO O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2c[nH+]c[nH]2)[C@H](CCc2ccccc2)C1 ZINC000025980808 561763889 /nfs/dbraw/zinc/76/38/89/561763889.db2.gz YAXSUZMCTBTSBP-XMMPIXPASA-N 1 2 541.504 5.929 1 0 KKAFLO O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2c[nH]c[nH+]2)[C@H](CCc2ccccc2)C1 ZINC000025980808 561763891 /nfs/dbraw/zinc/76/38/91/561763891.db2.gz YAXSUZMCTBTSBP-XMMPIXPASA-N 1 2 541.504 5.929 1 0 KKAFLO COc1cc(OC2CC[NH+](Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026251986 561774251 /nfs/dbraw/zinc/77/42/51/561774251.db2.gz KWGPENVMHIQXMC-UHFFFAOYSA-N 1 2 658.649 5.291 1 0 KKAFLO CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000026274144 561777913 /nfs/dbraw/zinc/77/79/13/561777913.db2.gz PROMUUQIOXRZGL-LDLOPFEMSA-N 1 2 581.675 6.537 1 0 KKAFLO Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NC[C@@H]2CCCO2)[nH+]1 ZINC000026575875 561799587 /nfs/dbraw/zinc/79/95/87/561799587.db2.gz QONHZAOUSLDLOE-KRWDZBQOSA-N 1 2 509.035 5.943 1 0 KKAFLO CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4cc(-c5ccc(Oc6ccccc6)cc5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026647562 561807651 /nfs/dbraw/zinc/80/76/51/561807651.db2.gz GHGZILNWNLEHFW-NDEPHWFRSA-N 1 2 585.636 5.057 1 0 KKAFLO COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCC[N@@H+]2Cc2ccccc21 ZINC000026662679 561810604 /nfs/dbraw/zinc/81/06/04/561810604.db2.gz YNAZXHOLEXQCOW-SANMLTNESA-N 1 2 549.696 6.192 1 0 KKAFLO COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCC[N@H+]2Cc2ccccc21 ZINC000026662679 561810605 /nfs/dbraw/zinc/81/06/05/561810605.db2.gz YNAZXHOLEXQCOW-SANMLTNESA-N 1 2 549.696 6.192 1 0 KKAFLO Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)C[C@H]1CSCC[N@H+]1C2 ZINC000026663026 561810634 /nfs/dbraw/zinc/81/06/34/561810634.db2.gz LSADLCFIPFOYOF-NDEPHWFRSA-N 1 2 533.697 6.492 1 0 KKAFLO Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)C[C@H]1CSCC[N@@H+]1C2 ZINC000026663026 561810635 /nfs/dbraw/zinc/81/06/35/561810635.db2.gz LSADLCFIPFOYOF-NDEPHWFRSA-N 1 2 533.697 6.492 1 0 KKAFLO CCOC(=O)C1=C(c2ccc(-c3c(C)[nH+]c4ccccn43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026831314 561822970 /nfs/dbraw/zinc/82/29/70/561822970.db2.gz SAFXQJBGSURGQD-PMERELPUSA-N 1 2 604.110 6.932 1 0 KKAFLO CCOC(=O)C1=C(COCCn2c(C)[nH+]c3ccccc32)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026835771 561824260 /nfs/dbraw/zinc/82/42/60/561824260.db2.gz ACOSGMPJKYRYTI-VRBSJEMPSA-N 1 2 586.092 6.367 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2cccc(C)c2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027205294 561845892 /nfs/dbraw/zinc/84/58/92/561845892.db2.gz HBPVCDNBWOISQW-USHMODERSA-N 1 2 542.680 5.974 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2\C(=O)N(CCCC)C(=O)N2Cc2c(C)noc2C)n1Cc1ccc(C(=O)OC)cc1 ZINC000027211746 561847299 /nfs/dbraw/zinc/84/72/99/561847299.db2.gz FUXFTCRJYUOUDL-QQXSKIMKSA-N 1 2 547.656 5.271 1 0 KKAFLO CON(C)C(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000027299484 561848748 /nfs/dbraw/zinc/84/87/48/561848748.db2.gz UWBGLUNBUMFOSR-RQOYOAKWSA-N 1 2 677.846 5.147 1 0 KKAFLO CON(C)C(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000027299484 561848750 /nfs/dbraw/zinc/84/87/50/561848750.db2.gz UWBGLUNBUMFOSR-RQOYOAKWSA-N 1 2 677.846 5.147 1 0 KKAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5cc(Cl)sc5c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027306546 561849784 /nfs/dbraw/zinc/84/97/84/561849784.db2.gz VNOCDCVYWOCLKG-UHFFFAOYSA-N 1 2 688.663 5.519 1 0 KKAFLO CCCCc1[nH+]c2ccc(N(C)C(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027327611 561853933 /nfs/dbraw/zinc/85/39/33/561853933.db2.gz OTRIUFGSYCXGNV-UHFFFAOYSA-N 1 2 562.722 6.753 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518092 561861835 /nfs/dbraw/zinc/86/18/35/561861835.db2.gz DSHYGKAKVRNSRB-AZGAKELHSA-N 1 2 576.694 5.344 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518092 561861836 /nfs/dbraw/zinc/86/18/36/561861836.db2.gz DSHYGKAKVRNSRB-AZGAKELHSA-N 1 2 576.694 5.344 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000027518438 561862234 /nfs/dbraw/zinc/86/22/34/561862234.db2.gz JOKQFLKQUGUROP-NDEPHWFRSA-N 1 2 563.123 5.888 1 0 KKAFLO CC(=O)Oc1ccccc1C(=O)O[C@@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027521207 561863935 /nfs/dbraw/zinc/86/39/35/561863935.db2.gz UMOSNNITWBSSED-HHHXNRCGSA-N 1 2 658.731 5.281 1 0 KKAFLO O=C(Cn1cc[nH+]c1)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000027523325 561864965 /nfs/dbraw/zinc/86/49/65/561864965.db2.gz STFZMBZNJAIPHK-UHFFFAOYSA-N 1 2 525.493 5.698 1 0 KKAFLO O=C(NCC[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000027556658 561869642 /nfs/dbraw/zinc/86/96/42/561869642.db2.gz SXZUDEINYBUJMU-UHFFFAOYSA-N 1 2 541.567 5.968 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@@H](OC(=O)C(C)C)C(C)C)O[C@@H](OC(=O)C(C)C)C(C)C ZINC000027557674 561869868 /nfs/dbraw/zinc/86/98/68/561869868.db2.gz OOTTWKGUYINAQT-JUGYDRJISA-N 1 2 718.825 6.470 1 0 KKAFLO CC(=O)N(Cc1ccccc1C(F)(F)F)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027859303 561886882 /nfs/dbraw/zinc/88/68/82/561886882.db2.gz BAWOEXVCFSAHRQ-HHHXNRCGSA-N 1 2 591.678 5.085 1 0 KKAFLO C[C@H](c1ccccc1)N(C)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027858995 561886887 /nfs/dbraw/zinc/88/68/87/561886887.db2.gz JVABEZOAMJQXKF-NTKDMRAZSA-N 1 2 541.545 6.490 1 0 KKAFLO CN(CCc1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027860160 561886980 /nfs/dbraw/zinc/88/69/80/561886980.db2.gz FJJAEUXXNHLBHF-DEOSSOPVSA-N 1 2 541.545 5.971 1 0 KKAFLO CN(CCc1ccccc1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027860168 561887010 /nfs/dbraw/zinc/88/70/10/561887010.db2.gz FJJAEUXXNHLBHF-XMMPIXPASA-N 1 2 541.545 5.971 1 0 KKAFLO CN(Cc1ccccc1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027868415 561887961 /nfs/dbraw/zinc/88/79/61/561887961.db2.gz PYMWHQDWPKXMFS-HSZRJFAPSA-N 1 2 527.518 5.929 1 0 KKAFLO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+]([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027995290 561893756 /nfs/dbraw/zinc/89/37/56/561893756.db2.gz FBAAQDIYOZAXRT-WJOKGBTCSA-N 1 2 508.065 5.899 1 0 KKAFLO O=C(C[NH+]1CCC(N2C(=O)OCc3ccc(Cl)cc32)CC1)Nc1ccc2sc3ccccc3c2c1 ZINC000028114639 561903491 /nfs/dbraw/zinc/90/34/91/561903491.db2.gz DDLXGHFXVDYRNM-UHFFFAOYSA-N 1 2 506.027 6.268 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)CCN1c1cccc(Cl)c1 ZINC000028262257 561912313 /nfs/dbraw/zinc/91/23/13/561912313.db2.gz PUIQBGZLGGGFGO-UHFFFAOYSA-N 1 2 525.962 5.514 1 0 KKAFLO CCCCCCON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=[NH+]OCCCCCC)cc3)o2)cc1 ZINC000028460006 561924922 /nfs/dbraw/zinc/92/49/22/561924922.db2.gz XPWWGHAHCNHLIP-UHFFFAOYSA-N 1 2 504.675 7.467 1 0 KKAFLO C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H]([NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)[C@@H]12 ZINC000028460453 561925060 /nfs/dbraw/zinc/92/50/60/561925060.db2.gz JOKSRMFADWQTKR-IWPSNKLNSA-N 1 2 637.825 5.738 1 0 KKAFLO CN1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000028538560 561935171 /nfs/dbraw/zinc/93/51/71/561935171.db2.gz CUWLASKQLWUARF-CLJLJLNGSA-N 1 2 548.639 6.645 1 0 KKAFLO CN1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@@H+]1C)O3)O4 ZINC000028538560 561935174 /nfs/dbraw/zinc/93/51/74/561935174.db2.gz CUWLASKQLWUARF-CLJLJLNGSA-N 1 2 548.639 6.645 1 0 KKAFLO COc1ccc(C(=O)Nc2ccc(CNc3ccc(Cc4[nH]c5ccccc5[nH+]4)cc3)cc2)cc1Br ZINC000028563132 561935395 /nfs/dbraw/zinc/93/53/95/561935395.db2.gz VWXDNRVTXFFYJF-UHFFFAOYSA-N 1 2 541.449 6.789 1 0 KKAFLO CC1(C)CC[C@]2(C(=O)OCC[NH+]3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000028570209 561938602 /nfs/dbraw/zinc/93/86/02/561938602.db2.gz OKBBLGLOMQPAIO-MXMJEZIOSA-N 1 2 585.870 5.995 1 0 KKAFLO CCCCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713055 561953769 /nfs/dbraw/zinc/95/37/69/561953769.db2.gz FLHUTUOLOLOHRY-JGCGQSQUSA-N 1 2 592.666 5.000 1 0 KKAFLO O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)cc1 ZINC000028817793 561965061 /nfs/dbraw/zinc/96/50/61/561965061.db2.gz VDGFPKPXICSSIM-UHFFFAOYSA-N 1 2 571.750 6.988 1 0 KKAFLO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](CC(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000028818528 561965335 /nfs/dbraw/zinc/96/53/35/561965335.db2.gz DKBGEPSCCNDNAW-GOTSBHOMSA-N 1 2 660.118 5.933 1 0 KKAFLO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CC(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000028818528 561965337 /nfs/dbraw/zinc/96/53/37/561965337.db2.gz DKBGEPSCCNDNAW-GOTSBHOMSA-N 1 2 660.118 5.933 1 0 KKAFLO COc1cc2c(cc1OCCCCC[NH+]1CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000028826335 561971378 /nfs/dbraw/zinc/97/13/78/561971378.db2.gz REVZNJHCTBGCSF-MHZLTWQESA-N 1 2 656.809 5.079 1 0 KKAFLO C[NH+](C)C1CCN(C(=O)Cn2c3cc(-c4nc(=O)o[nH]4)ccc3c(C3CCCCC3)c2-c2ccccc2F)CC1 ZINC000028949689 561980747 /nfs/dbraw/zinc/98/07/47/561980747.db2.gz SKJHAJHPYVNVOI-UHFFFAOYSA-N 1 2 545.659 5.391 1 0 KKAFLO C[C@H](COC(=O)N(CCCn1cc[nH+]c1)CC1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976111 561986733 /nfs/dbraw/zinc/98/67/33/561986733.db2.gz SVRXZBPLMLXYSA-HXUWFJFHSA-N 1 2 595.549 5.205 1 0 KKAFLO O[C@@](COc1ccc(-c2ccc(NCc3cccc(Cl)c3)[nH+]c2)cc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000029046663 561992990 /nfs/dbraw/zinc/99/29/90/561992990.db2.gz XWLZINMZKFXHEP-GDLZYMKVSA-N 1 2 547.993 5.851 1 0 KKAFLO O[C@@](COc1ccc(-c2ccc(NCc3ccccc3)[nH+]c2)cc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000029046937 561993152 /nfs/dbraw/zinc/99/31/52/561993152.db2.gz GAHOZHWSNQVRFB-GDLZYMKVSA-N 1 2 513.548 5.197 1 0 KKAFLO O[C@](COc1ccc(-c2ccc(NCc3ccccc3)[nH+]c2)cc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000029046940 561993190 /nfs/dbraw/zinc/99/31/90/561993190.db2.gz GAHOZHWSNQVRFB-LJAQVGFWSA-N 1 2 513.548 5.197 1 0 KKAFLO CCc1cccc2c1N(CCCN(C)C(=O)Cc1ccccc1)C(=N)[N@@H+]2CC(=O)c1ccc(Cl)cc1 ZINC000029125464 561997568 /nfs/dbraw/zinc/99/75/68/561997568.db2.gz NORQBQYXNZJWEB-UHFFFAOYSA-N 1 2 503.046 5.112 1 0 KKAFLO CCc1cccc2c1N(CCCN(C)C(=O)Cc1ccccc1)C(=N)[N@H+]2CC(=O)c1ccc(Cl)cc1 ZINC000029125464 561997570 /nfs/dbraw/zinc/99/75/70/561997570.db2.gz NORQBQYXNZJWEB-UHFFFAOYSA-N 1 2 503.046 5.112 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000029126637 561998750 /nfs/dbraw/zinc/99/87/50/561998750.db2.gz MEVNIFZDIFKOCZ-UHFFFAOYSA-N 1 2 540.664 5.164 1 0 KKAFLO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(-n5cc[nH+]c5)cc(C)nc34)c2Cl)cc1 ZINC000029388599 562016773 /nfs/dbraw/zinc/01/67/73/562016773.db2.gz XFXXNVHSJUPZDM-NTEUORMPSA-N 1 2 657.558 5.767 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029563520 562033779 /nfs/dbraw/zinc/03/37/79/562033779.db2.gz MDPULBLYZQWTKD-PMVMPFDFSA-N 1 2 524.683 5.010 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029563520 562033781 /nfs/dbraw/zinc/03/37/81/562033781.db2.gz MDPULBLYZQWTKD-PMVMPFDFSA-N 1 2 524.683 5.010 1 0 KKAFLO Cc1c(Cl)cccc1Nc1ncccc1C(=O)OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033865153 562037662 /nfs/dbraw/zinc/03/76/62/562037662.db2.gz RERKEXAEISSDPZ-UHFFFAOYSA-N 1 2 518.967 5.785 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000034804045 562042894 /nfs/dbraw/zinc/04/28/94/562042894.db2.gz LAXDODUPLVBDLC-UHFFFAOYSA-N 1 2 503.488 5.721 1 0 KKAFLO Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338846 562057347 /nfs/dbraw/zinc/05/73/47/562057347.db2.gz JBIAJPDELARJKZ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338846 562057348 /nfs/dbraw/zinc/05/73/48/562057348.db2.gz JBIAJPDELARJKZ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338846 562057351 /nfs/dbraw/zinc/05/73/51/562057351.db2.gz JBIAJPDELARJKZ-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5cc(Cl)cc(Cl)c5)s4)n[nH]c2-3)CC1 ZINC000036338839 562057396 /nfs/dbraw/zinc/05/73/96/562057396.db2.gz QFUMXJTWUNRHSU-UHFFFAOYSA-N 1 2 567.546 6.085 1 0 KKAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5cc(Cl)cc(Cl)c5)s4)n[nH]c2-3)CC1 ZINC000036338839 562057397 /nfs/dbraw/zinc/05/73/97/562057397.db2.gz QFUMXJTWUNRHSU-UHFFFAOYSA-N 1 2 567.546 6.085 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000036338839 562057398 /nfs/dbraw/zinc/05/73/98/562057398.db2.gz QFUMXJTWUNRHSU-UHFFFAOYSA-N 1 2 567.546 6.085 1 0 KKAFLO CN(CC(=O)N(C)[C@H](C[NH+]1CCOCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000040379167 562073294 /nfs/dbraw/zinc/07/32/94/562073294.db2.gz ALINQGUROWXGAJ-HHHXNRCGSA-N 1 2 512.481 5.629 1 0 KKAFLO O=C(O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000040380300 562073436 /nfs/dbraw/zinc/07/34/36/562073436.db2.gz IADMULLWDVKTFY-NRZVBSRUSA-N 1 2 529.684 6.351 1 0 KKAFLO CCc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12 ZINC000040934253 562084771 /nfs/dbraw/zinc/08/47/71/562084771.db2.gz GZPFNDLQAAFQDH-UHFFFAOYSA-N 1 2 522.693 7.238 1 0 KKAFLO Clc1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000040974812 562087097 /nfs/dbraw/zinc/08/70/97/562087097.db2.gz AQVROQCHDZINHM-UHFFFAOYSA-N 1 2 507.062 8.141 1 0 KKAFLO O=C1C(c2cn(CCCn3cc[nH+]c3)c3ccccc23)=C(n2ccc3ncccc32)C(=O)N1c1ccccc1 ZINC000042201445 562087478 /nfs/dbraw/zinc/08/74/78/562087478.db2.gz KOBRAAHPNOSLII-UHFFFAOYSA-N 1 2 512.573 5.220 1 0 KKAFLO CCCCC[C@@H](C[C@@H](CCc1cc(OC2CCCCC2)c(O)cc1-c1cc[nH+]c(N)c1)OC(C)=O)OC(C)=O ZINC000085629484 560068391 /nfs/dbraw/zinc/06/83/91/560068391.db2.gz UIANHOCTINGRFO-RRPNLBNLSA-N 1 2 540.701 6.514 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CC[C@@H]3CCC[C@H]2C3)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629420 560068418 /nfs/dbraw/zinc/06/84/18/560068418.db2.gz LZQFSFCFHXDNOP-FPZILHFYSA-N 1 2 524.658 5.448 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@H](O)CCC[C@H](CC(C)C)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629354 560068558 /nfs/dbraw/zinc/06/85/58/560068558.db2.gz ULEYULXTGDGCKP-ZABYREPDSA-N 1 2 584.754 5.835 1 0 biogenic,in-vitro KKAFLO C[C@H](Nc1cc(NCC2CCCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043064692 562645294 /nfs/dbraw/zinc/64/52/94/562645294.db2.gz VDGFBSMXUFOVAV-UQBPGWFLSA-N 1 2 527.938 7.712 1 0 KKAFLO C[C@H](Nc1cc(NCC2CCCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043064692 562645295 /nfs/dbraw/zinc/64/52/95/562645295.db2.gz VDGFBSMXUFOVAV-UQBPGWFLSA-N 1 2 527.938 7.712 1 0 KKAFLO C[C@H](Nc1cc(N2CCC(C(F)(F)F)CC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043080717 562645867 /nfs/dbraw/zinc/64/58/67/562645867.db2.gz RGDRJDMALWKWMA-GAJHUEQPSA-N 1 2 567.881 7.498 1 0 KKAFLO C[C@H](Nc1cc(N2CCC(C(F)(F)F)CC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043080717 562645868 /nfs/dbraw/zinc/64/58/68/562645868.db2.gz RGDRJDMALWKWMA-GAJHUEQPSA-N 1 2 567.881 7.498 1 0 KKAFLO CCCCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc[nH+]1 ZINC000043121392 562646185 /nfs/dbraw/zinc/64/61/85/562646185.db2.gz BKFHTDMBLHTIRJ-YADARESESA-N 1 2 515.927 7.712 1 0 KKAFLO CCCCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]cn1 ZINC000043121392 562646186 /nfs/dbraw/zinc/64/61/86/562646186.db2.gz BKFHTDMBLHTIRJ-YADARESESA-N 1 2 515.927 7.712 1 0 KKAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(C(F)(F)F)cc4[nH+]3)[C@@H]2SC1 ZINC000043640897 562650398 /nfs/dbraw/zinc/65/03/98/562650398.db2.gz JKJMTAOPHUTCNX-YWEHKCAJSA-N 1 2 622.625 5.427 1 0 KKAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cc(C(F)(F)F)ccc4[nH+]3)[C@@H]2SC1 ZINC000043640897 562650399 /nfs/dbraw/zinc/65/03/99/562650399.db2.gz JKJMTAOPHUTCNX-YWEHKCAJSA-N 1 2 622.625 5.427 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000044305240 562653384 /nfs/dbraw/zinc/65/33/84/562653384.db2.gz XLAYTQSXXHBEQX-FOPBOCKXSA-N 1 2 596.680 5.972 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000044305240 562653385 /nfs/dbraw/zinc/65/33/85/562653385.db2.gz XLAYTQSXXHBEQX-FOPBOCKXSA-N 1 2 596.680 5.972 1 0 KKAFLO COc1ccc2cc1-c1cc(ccc1O)C(=O)[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000044305936 562653612 /nfs/dbraw/zinc/65/36/12/562653612.db2.gz XCZPVAXCZZECDL-FOPBOCKXSA-N 1 2 622.718 6.080 1 0 in-vivo KKAFLO COc1ccc2cc1-c1cc(ccc1O)C(=O)[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000044305936 562653613 /nfs/dbraw/zinc/65/36/13/562653613.db2.gz XCZPVAXCZZECDL-FOPBOCKXSA-N 1 2 622.718 6.080 1 0 in-vivo KKAFLO CC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc[nH+]c(N)c2Cl)c(F)c1 ZINC000044387982 562656220 /nfs/dbraw/zinc/65/62/20/562656220.db2.gz BBVQJPURZDEFJS-UHFFFAOYSA-N 1 2 526.927 5.578 1 0 KKAFLO Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338583 562661461 /nfs/dbraw/zinc/66/14/61/562661461.db2.gz XEVGBPQWUBNTPB-QXNWPYRLSA-N 1 2 518.101 5.615 1 0 KKAFLO CCn1c[nH+]cc1[C@@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049089112 562664353 /nfs/dbraw/zinc/66/43/53/562664353.db2.gz OVINSELQTSDKPZ-GDLZYMKVSA-N 1 2 518.444 6.667 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc2ccccc2c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088910 562664393 /nfs/dbraw/zinc/66/43/93/562664393.db2.gz WAIUDTCFCNYVQX-YTTGMZPUSA-N 1 2 520.032 6.684 1 0 KKAFLO NS(=O)(=O)c1ccc(CNC(=O)c2c[nH+]c3c(O)cccc3c2Nc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049626456 562667215 /nfs/dbraw/zinc/66/72/15/562667215.db2.gz XYGKJYBPZORBIK-UHFFFAOYSA-N 1 2 636.517 5.821 1 0 KKAFLO C[C@@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C(=O)OCc1ccccc1 ZINC000049695055 562670153 /nfs/dbraw/zinc/67/01/53/562670153.db2.gz GLMGQTWNDCMBGO-NLGDKJDOSA-N 1 2 626.721 6.324 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@@]23C[N@H+]([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049709124 562671196 /nfs/dbraw/zinc/67/11/96/562671196.db2.gz LHQDUADKXWTRSM-AGYDZKFASA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@@]23C[N@@H+]([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049709124 562671197 /nfs/dbraw/zinc/67/11/97/562671197.db2.gz LHQDUADKXWTRSM-AGYDZKFASA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1c(O)cccc1C(=O)N[C@@H](c1cc(-c2ccccc2)cs1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049710664 562671770 /nfs/dbraw/zinc/67/17/70/562671770.db2.gz IUZKQAXAXQCTOI-OPYHXEAWSA-N 1 2 603.829 6.057 1 0 KKAFLO Cc1c(O)cccc1C(=O)N[C@@H](c1cc(-c2ccccc2)cs1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049710664 562671771 /nfs/dbraw/zinc/67/17/71/562671771.db2.gz IUZKQAXAXQCTOI-OPYHXEAWSA-N 1 2 603.829 6.057 1 0 KKAFLO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049710621 562671788 /nfs/dbraw/zinc/67/17/88/562671788.db2.gz ZMVCAJKVXCNHHG-YRNVUSSQSA-N 1 2 569.936 6.716 1 0 KKAFLO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049710621 562671789 /nfs/dbraw/zinc/67/17/89/562671789.db2.gz ZMVCAJKVXCNHHG-YRNVUSSQSA-N 1 2 569.936 6.716 1 0 KKAFLO CC(C)(CNC(=O)C1CC[NH+](Cc2ccoc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049710776 562671791 /nfs/dbraw/zinc/67/17/91/562671791.db2.gz ATIQRTXPYNSKER-UHFFFAOYSA-N 1 2 534.060 5.397 1 0 KKAFLO CC(C)(CNC(=O)C1CC[NH+](Cc2ccoc2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049710776 562671792 /nfs/dbraw/zinc/67/17/92/562671792.db2.gz ATIQRTXPYNSKER-UHFFFAOYSA-N 1 2 534.060 5.397 1 0 KKAFLO Cc1cc(OC[C@@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4[nH+]c(C)cc(OC[C@@H]5CCCO5)c4c3)ccc2n1 ZINC000049722985 562672768 /nfs/dbraw/zinc/67/27/68/562672768.db2.gz MZWJZNPINJXXFH-ZEQRLZLVSA-N 1 2 570.646 5.093 1 0 KKAFLO COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)[NH+](C)C ZINC000049733692 562673314 /nfs/dbraw/zinc/67/33/14/562673314.db2.gz JFKOXSSOMYGNRF-FNWPNHNBSA-N 1 2 621.856 5.286 1 0 KKAFLO COc1ccc(CNC(=O)CC(C)(C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000049746363 562674375 /nfs/dbraw/zinc/67/43/75/562674375.db2.gz IGPWBTCXHYHZPX-HKBQPEDESA-N 1 2 548.127 5.705 1 0 KKAFLO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756745 562675220 /nfs/dbraw/zinc/67/52/20/562675220.db2.gz QEMGEAVSFHMSAA-JIYROHSKSA-N 1 2 594.152 5.332 1 0 KKAFLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761937 562676249 /nfs/dbraw/zinc/67/62/49/562676249.db2.gz KCDLNXYAMQIANP-BHVANESWSA-N 1 2 708.862 5.429 1 0 KKAFLO CO[C@@H](c1c[nH+]cn1C)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000049767218 562677441 /nfs/dbraw/zinc/67/74/41/562677441.db2.gz COHUSASWFICNNZ-RRPNLBNLSA-N 1 2 536.076 5.352 1 0 KKAFLO O=C(Nc1ccccc1)N(c1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CC[C@H](CN(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1 ZINC000049776332 562679373 /nfs/dbraw/zinc/67/93/73/562679373.db2.gz VIGDRXGMJIQJQK-YZNIXAGQSA-N 1 2 708.514 7.657 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@]5(CN(C[C@H](C[NH+]6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049778078 562680919 /nfs/dbraw/zinc/68/09/19/562680919.db2.gz BTGSCJGGIRKDSQ-UDGNRRRHSA-N 1 2 612.852 6.004 1 0 KKAFLO O=C(CCC[NH2+][C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000049778204 562681030 /nfs/dbraw/zinc/68/10/30/562681030.db2.gz UOIYGOCEGMEVGV-ZPGRZCPFSA-N 1 2 708.808 5.354 1 0 KKAFLO CCn1c[nH+]cc1[C@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3ccccc3)c1)cc(=O)n2C ZINC000049784083 562683419 /nfs/dbraw/zinc/68/34/19/562683419.db2.gz RNRANNZUJFOBEA-DHUJRADRSA-N 1 2 560.097 7.681 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1C(F)(F)F)cc(=O)n2C ZINC000049802240 562685580 /nfs/dbraw/zinc/68/55/80/562685580.db2.gz FOENVKPTEKITTF-MUUNZHRXSA-N 1 2 537.969 6.550 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Br)cc2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000049803307 562686072 /nfs/dbraw/zinc/68/60/72/562686072.db2.gz KHWVXNHEWPMVMP-UHFFFAOYSA-N 1 2 651.573 6.719 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Br)cc2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000049803307 562686073 /nfs/dbraw/zinc/68/60/73/562686073.db2.gz KHWVXNHEWPMVMP-UHFFFAOYSA-N 1 2 651.573 6.719 1 0 KKAFLO CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C[NH+]2CCOCC2)o1 ZINC000049877365 562690113 /nfs/dbraw/zinc/69/01/13/562690113.db2.gz IOVOUNKBAKILMU-UHFFFAOYSA-N 1 2 546.886 6.679 1 0 KKAFLO Cc1ccc([C@H](CC(N)=O)NC(=O)CCCN(CC[NH+]2CCOCC2)c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049898354 562692479 /nfs/dbraw/zinc/69/24/79/562692479.db2.gz YDUHFRBPTNJKPH-PMERELPUSA-N 1 2 664.638 5.201 1 0 KKAFLO Cn1c[nH+]cc1CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21 ZINC000049917515 562693514 /nfs/dbraw/zinc/69/35/14/562693514.db2.gz IHIRYLWVVSEQPI-UHFFFAOYSA-N 1 2 685.697 7.151 1 0 KKAFLO Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000049917931 562694117 /nfs/dbraw/zinc/69/41/17/562694117.db2.gz KSSPRUZLDYYTON-UHFFFAOYSA-N 1 2 561.004 6.040 1 0 KKAFLO Cc1ccc(C)c(N2CC[NH+](Cc3cn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)nn3)CC2)c1 ZINC000053173601 562696292 /nfs/dbraw/zinc/69/62/92/562696292.db2.gz KUAKEQSMHJWJBL-GIWKVKTRSA-N 1 2 606.815 6.281 1 0 KKAFLO CCCC[C@@H]1Oc2ccc(OC[C@@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2N(C)C1=O ZINC000058593474 562700699 /nfs/dbraw/zinc/70/06/99/562700699.db2.gz LUSCKCSHZMDXQF-RAHIQWLESA-N 1 2 546.451 5.451 1 0 KKAFLO O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c([nH+]1)NCCC2 ZINC000058599012 562700797 /nfs/dbraw/zinc/70/07/97/562700797.db2.gz KTXGTJZRXZNZNO-UHFFFAOYSA-N 1 2 584.551 7.434 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000059185060 562701783 /nfs/dbraw/zinc/70/17/83/562701783.db2.gz WIWSXPUJWQMNFO-NDEPHWFRSA-N 1 2 617.175 5.482 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000059185060 562701784 /nfs/dbraw/zinc/70/17/84/562701784.db2.gz WIWSXPUJWQMNFO-NDEPHWFRSA-N 1 2 617.175 5.482 1 0 KKAFLO Clc1ccc(CN(CCCNc2ncnc(NCCCc3c[nH]c[nH+]3)n2)c2ccc(Br)cn2)cc1Cl ZINC000064474566 562705832 /nfs/dbraw/zinc/70/58/32/562705832.db2.gz YYTGNMKZZJWRRP-UHFFFAOYSA-N 1 2 591.345 5.613 1 0 KKAFLO Clc1ccc(CN(CCCNc2ncnc(NCCCc3c[nH+]c[nH]3)n2)c2ccc(Br)cn2)cc1Cl ZINC000064474566 562705833 /nfs/dbraw/zinc/70/58/33/562705833.db2.gz YYTGNMKZZJWRRP-UHFFFAOYSA-N 1 2 591.345 5.613 1 0 KKAFLO CN(Cc1ccccc1)c1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCC(C)(C)C2 ZINC000064538979 562707450 /nfs/dbraw/zinc/70/74/50/562707450.db2.gz FEWVTSJMUVJBFL-UHFFFAOYSA-N 1 2 516.715 5.135 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(N3CCSCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064573412 562708667 /nfs/dbraw/zinc/70/86/67/562708667.db2.gz JOMYUJCRQDDFAR-UHFFFAOYSA-N 1 2 554.564 5.811 1 0 KKAFLO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)C[N@H+](C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064573229 562708684 /nfs/dbraw/zinc/70/86/84/562708684.db2.gz INCLLCIGHHXSPI-IIZLTXOPSA-N 1 2 523.416 5.313 1 0 KKAFLO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)C[N@@H+](C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064573229 562708685 /nfs/dbraw/zinc/70/86/85/562708685.db2.gz INCLLCIGHHXSPI-IIZLTXOPSA-N 1 2 523.416 5.313 1 0 KKAFLO O=C(NCc1ccc(F)c(F)c1)c1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000066099298 562711055 /nfs/dbraw/zinc/71/10/55/562711055.db2.gz FMYKWJDOTAPBPQ-UHFFFAOYSA-N 1 2 574.503 5.383 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000066128970 562712799 /nfs/dbraw/zinc/71/27/99/562712799.db2.gz IMPBBHMDJCWLCX-HOOSLVGPSA-N 1 2 612.601 5.208 3 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000066128970 562712800 /nfs/dbraw/zinc/71/28/00/562712800.db2.gz IMPBBHMDJCWLCX-HOOSLVGPSA-N 1 2 612.601 5.208 3 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3ccccc3Cl)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251595 562714522 /nfs/dbraw/zinc/71/45/22/562714522.db2.gz JDOAQAUEPCNWEQ-BVYCBKJFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3ccccc3Cl)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251595 562714523 /nfs/dbraw/zinc/71/45/23/562714523.db2.gz JDOAQAUEPCNWEQ-BVYCBKJFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Cl)c3)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251778 562714598 /nfs/dbraw/zinc/71/45/98/562714598.db2.gz YFBSAPACMNTARV-COPCDDAFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Cl)c3)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251778 562714599 /nfs/dbraw/zinc/71/45/99/562714599.db2.gz YFBSAPACMNTARV-COPCDDAFSA-N 1 2 500.870 7.550 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000071294549 562716931 /nfs/dbraw/zinc/71/69/31/562716931.db2.gz ABZWLBYXKLBEFX-FITHBNAOSA-N 1 2 572.725 5.857 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000071294549 562716932 /nfs/dbraw/zinc/71/69/32/562716932.db2.gz ABZWLBYXKLBEFX-FITHBNAOSA-N 1 2 572.725 5.857 1 0 KKAFLO COC(=O)C(C)(C)Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000071316056 562717869 /nfs/dbraw/zinc/71/78/69/562717869.db2.gz BGIPEWQFMBRIII-UHFFFAOYSA-N 1 2 582.082 5.101 1 0 KKAFLO COC(=O)C(C)(C)Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000071316056 562717870 /nfs/dbraw/zinc/71/78/70/562717870.db2.gz BGIPEWQFMBRIII-UHFFFAOYSA-N 1 2 582.082 5.101 1 0 KKAFLO Cc1ccc(-c2c[nH]c(-c3ccc4[nH+]c(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)n2)cc1 ZINC000071316781 562718043 /nfs/dbraw/zinc/71/80/43/562718043.db2.gz WHHQMYRKBIGIAV-UHFFFAOYSA-N 1 2 589.472 8.560 1 0 KKAFLO Cc1ccc(-c2nnc(-c3ccc4[nH+]c(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)o2)cc1 ZINC000071317496 562718267 /nfs/dbraw/zinc/71/82/67/562718267.db2.gz PDYITHRQCTXSDK-UHFFFAOYSA-N 1 2 591.444 8.220 1 0 KKAFLO O=C(NCC[C@@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 ZINC000071318350 562718449 /nfs/dbraw/zinc/71/84/49/562718449.db2.gz DUYVMDDLFWXUHZ-OAQYLSRUSA-N 1 2 501.433 5.336 1 0 KKAFLO CCOC(=O)[C@@H](C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000071319238 562718762 /nfs/dbraw/zinc/71/87/62/562718762.db2.gz FLHMVCQQCUFIIT-HNNXBMFYSA-N 1 2 566.083 5.437 1 0 KKAFLO CCOC(=O)[C@@H](C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000071319238 562718763 /nfs/dbraw/zinc/71/87/63/562718763.db2.gz FLHMVCQQCUFIIT-HNNXBMFYSA-N 1 2 566.083 5.437 1 0 KKAFLO COC(=O)C(C)(C)COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000071329224 562718850 /nfs/dbraw/zinc/71/88/50/562718850.db2.gz JXOARYLSDBKQPT-UHFFFAOYSA-N 1 2 596.109 5.348 1 0 KKAFLO COC(=O)C(C)(C)COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000071329224 562718851 /nfs/dbraw/zinc/71/88/51/562718851.db2.gz JXOARYLSDBKQPT-UHFFFAOYSA-N 1 2 596.109 5.348 1 0 KKAFLO COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCSC(=S)N1CC[NH+](C)CC1 ZINC000071331362 562719253 /nfs/dbraw/zinc/71/92/53/562719253.db2.gz ICUDLGYUNFHEEE-UHFFFAOYSA-N 1 2 562.559 5.179 1 0 KKAFLO CCCC[C@H]1Oc2ccc(OC[C@@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2N(C)C1=O ZINC000072101662 562720279 /nfs/dbraw/zinc/72/02/79/562720279.db2.gz LUSCKCSHZMDXQF-WMBPSLEXSA-N 1 2 546.451 5.451 1 0 KKAFLO CCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109835 562721661 /nfs/dbraw/zinc/72/16/61/562721661.db2.gz FIAYRICGBDQHMX-HHHXNRCGSA-N 1 2 504.428 6.941 1 0 KKAFLO CC(C)Oc1cc(NC(=N)c2ccc(N)cn2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccc(N)cn3)cc2OC(C)C)o1 ZINC000072112314 562722049 /nfs/dbraw/zinc/72/20/49/562722049.db2.gz UMIGGQJXHHMUGJ-UHFFFAOYSA-N 1 2 604.715 7.017 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc(C(F)(F)F)cc3)c3c([nH+]2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000072115242 562722880 /nfs/dbraw/zinc/72/28/80/562722880.db2.gz CJEGOASZCHMBGO-OAQYLSRUSA-N 1 2 651.656 7.069 1 0 KKAFLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC(=O)[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000072116542 562723162 /nfs/dbraw/zinc/72/31/62/562723162.db2.gz YFDUGDUXNFIIKK-HSZRJFAPSA-N 1 2 505.483 6.095 1 0 KKAFLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC(=O)[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000072116542 562723163 /nfs/dbraw/zinc/72/31/63/562723163.db2.gz YFDUGDUXNFIIKK-HSZRJFAPSA-N 1 2 505.483 6.095 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CC(=O)[N-]S3(=O)=O)CC1 ZINC000072129905 562726578 /nfs/dbraw/zinc/72/65/78/562726578.db2.gz WZXVNTZDYONMKR-BETPUDKTSA-N 1 2 651.833 5.978 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CC(=O)[N-]S3(=O)=O)CC1 ZINC000072129905 562726579 /nfs/dbraw/zinc/72/65/79/562726579.db2.gz WZXVNTZDYONMKR-BETPUDKTSA-N 1 2 651.833 5.978 1 0 KKAFLO O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072136264 562727824 /nfs/dbraw/zinc/72/78/24/562727824.db2.gz RZMGJLJAKLOOSK-ZPKXTLNISA-N 1 2 509.606 5.215 3 0 KKAFLO C[C@H](O)[C@@H]1C[N@@H+]2CCc3c4cc(-c5ccc6c(c5)OCO6)ccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccc(F)cc1 ZINC000072136770 562728138 /nfs/dbraw/zinc/72/81/38/562728138.db2.gz JLXGIALUSBSUSO-UHPHPXPQSA-N 1 2 556.638 5.535 3 0 KKAFLO C[C@H](O)[C@@H]1C[N@H+]2CCc3c4cc(-c5ccc6c(c5)OCO6)ccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccc(F)cc1 ZINC000072136770 562728139 /nfs/dbraw/zinc/72/81/39/562728139.db2.gz JLXGIALUSBSUSO-UHPHPXPQSA-N 1 2 556.638 5.535 3 0 KKAFLO CC(=O)Nc1cccc(Nc2cc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)nc[nH+]2)c1C ZINC000072141195 562729313 /nfs/dbraw/zinc/72/93/13/562729313.db2.gz NNZMWYODRJBRFI-UHFFFAOYSA-N 1 2 515.536 5.571 1 0 KKAFLO CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccc(N4CCOCC4)[nH+]c3)n2)s1 ZINC000072176249 562731533 /nfs/dbraw/zinc/73/15/33/562731533.db2.gz AEUDFMRQSRTMSH-UHFFFAOYSA-N 1 2 667.739 6.584 1 0 KKAFLO CCOc1ccc2c(c1)c(C1=C(Cl)C[N@H+](CC)C1)cn2S(=O)(=O)c1ccccc1Br ZINC000072177833 562731890 /nfs/dbraw/zinc/73/18/90/562731890.db2.gz HRQKJJWUYXOELM-UHFFFAOYSA-N 1 2 509.853 5.325 1 0 KKAFLO CCOc1ccc2c(c1)c(C1=C(Cl)C[N@@H+](CC)C1)cn2S(=O)(=O)c1ccccc1Br ZINC000072177833 562731891 /nfs/dbraw/zinc/73/18/91/562731891.db2.gz HRQKJJWUYXOELM-UHFFFAOYSA-N 1 2 509.853 5.325 1 0 KKAFLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 ZINC000072178562 562732125 /nfs/dbraw/zinc/73/21/25/562732125.db2.gz WBFAWNBDGHAAME-GDLZYMKVSA-N 1 2 506.606 5.037 1 0 KKAFLO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+]1CC(Oc2cc(O)c(Cl)cc2Cl)C1 ZINC000073138384 562733342 /nfs/dbraw/zinc/73/33/42/562733342.db2.gz JHFOPISWTBENTQ-UHFFFAOYSA-N 1 2 513.465 5.792 1 0 KKAFLO O=C(NCC[NH+]1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073142441 562733816 /nfs/dbraw/zinc/73/38/16/562733816.db2.gz ZAYWNIIRYMQVOL-UHFFFAOYSA-N 1 2 569.898 5.461 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073162399 562734170 /nfs/dbraw/zinc/73/41/70/562734170.db2.gz MHYJCYDAUOMJGN-RUZDIDTESA-N 1 2 530.562 5.222 1 0 KKAFLO O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073166847 562734527 /nfs/dbraw/zinc/73/45/27/562734527.db2.gz KXGMABRZYRXULC-RUZDIDTESA-N 1 2 530.562 5.222 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2)c(Cl)c1 ZINC000073197032 562735239 /nfs/dbraw/zinc/73/52/39/562735239.db2.gz CBFZXDVSJUZNRU-HHHXNRCGSA-N 1 2 602.946 5.909 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)NCc3ccccc3Cl)cc2)c(Cl)c1 ZINC000073197225 562735277 /nfs/dbraw/zinc/73/52/77/562735277.db2.gz HPNGGPOJMGGJRE-XMMPIXPASA-N 1 2 562.881 5.034 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2nnc(Cc4ccccc4)o2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073223331 562736466 /nfs/dbraw/zinc/73/64/66/562736466.db2.gz ZHTIKOFZZFVXCJ-UHFFFAOYSA-N 1 2 595.572 5.739 1 0 KKAFLO CN1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000073351284 562738251 /nfs/dbraw/zinc/73/82/51/562738251.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N 1 2 548.639 6.645 1 0 KKAFLO CN1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(cc2CC[N@@H+]1C)O3)O4 ZINC000073351284 562738252 /nfs/dbraw/zinc/73/82/52/562738252.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N 1 2 548.639 6.645 1 0 KKAFLO Cc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000082138029 562739135 /nfs/dbraw/zinc/73/91/35/562739135.db2.gz QFGIJXOCXFOLFD-UHFFFAOYSA-N 1 2 630.516 7.129 1 0 KKAFLO COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140066 562739313 /nfs/dbraw/zinc/73/93/13/562739313.db2.gz ZXEINKIHVVAMHD-SSEXGKCCSA-N 1 2 704.051 5.808 1 0 KKAFLO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082139976 562739326 /nfs/dbraw/zinc/73/93/26/562739326.db2.gz ZLSDOOYBUDFNED-MGBGTMOVSA-N 1 2 650.216 5.409 1 0 KKAFLO FC(F)(F)c1cccc([C@@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)nc[nH+]3)C2)c1 ZINC000082151448 562739899 /nfs/dbraw/zinc/73/98/99/562739899.db2.gz ZRRDBJLAIRYZTN-HXOBKFHXSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1cccc([C@@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)[nH+]cn3)C2)c1 ZINC000082151448 562739900 /nfs/dbraw/zinc/73/99/00/562739900.db2.gz ZRRDBJLAIRYZTN-HXOBKFHXSA-N 1 2 561.439 7.404 1 0 KKAFLO O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082151234 562739924 /nfs/dbraw/zinc/73/99/24/562739924.db2.gz COTDHWHSENTXFQ-UHFFFAOYSA-N 1 2 579.691 5.807 1 0 KKAFLO Nc1cc(-c2ccccc2-c2ccccc2)c[nH+]c1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082152187 562740027 /nfs/dbraw/zinc/74/00/27/562740027.db2.gz HRMZAIBRKUDTCG-SANMLTNESA-N 1 2 500.433 7.522 1 0 KKAFLO CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082190344 562742580 /nfs/dbraw/zinc/74/25/80/562742580.db2.gz ZHBVVRQYPXKTRA-WJOKGBTCSA-N 1 2 637.608 5.527 1 0 KKAFLO C[C@@H](C[NH+]1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1 ZINC000084405608 562742963 /nfs/dbraw/zinc/74/29/63/562742963.db2.gz PSJQHHQUIVUEHD-NRFANRHFSA-N 1 2 513.592 5.029 1 0 KKAFLO C[C@H](C[NH+]1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1 ZINC000084405609 562743000 /nfs/dbraw/zinc/74/30/00/562743000.db2.gz PSJQHHQUIVUEHD-OAQYLSRUSA-N 1 2 513.592 5.029 1 0 KKAFLO COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(CC45CC6CC(CC(C6)C4)C5)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084619459 562745282 /nfs/dbraw/zinc/74/52/82/562745282.db2.gz DHUDBVNXSIDYGA-YDWWKJQGSA-N 1 2 570.782 6.490 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084652989 562746727 /nfs/dbraw/zinc/74/67/27/562746727.db2.gz QAHOFIFSNPBAAC-UHFFFAOYSA-N 1 2 558.564 6.652 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084708787 562750217 /nfs/dbraw/zinc/75/02/17/562750217.db2.gz SCTFVOBWCCFLNG-UHFFFAOYSA-N 1 2 571.685 6.131 1 0 KKAFLO Cc1c(OCC(F)(F)F)ccnc1COc1ccc(Nc2ncnc3cc4oc(=O)n(CCC[NH+]5CCOCC5)c4cc32)cc1 ZINC000084714486 562750972 /nfs/dbraw/zinc/75/09/72/562750972.db2.gz VYGITYDONCAYLI-UHFFFAOYSA-N 1 2 624.620 5.227 1 0 KKAFLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000084804837 562753039 /nfs/dbraw/zinc/75/30/39/562753039.db2.gz BZPPUKJKOJHWKN-PIPMEXSNSA-N 1 2 528.497 5.347 1 0 KKAFLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000084804837 562753040 /nfs/dbraw/zinc/75/30/40/562753040.db2.gz BZPPUKJKOJHWKN-PIPMEXSNSA-N 1 2 528.497 5.347 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000095551648 562760375 /nfs/dbraw/zinc/76/03/75/562760375.db2.gz BVYPZDSPCLXTHT-AJQTZOPKSA-N 1 2 751.726 6.191 1 0 KKAFLO C[C@H](CCCN1C=[NH+]N(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000095552969 562760815 /nfs/dbraw/zinc/76/08/15/562760815.db2.gz SAARQIBDVKDNAR-MFPHAILLSA-N 1 2 652.875 6.399 1 0 KKAFLO Nc1cc[nH+]c(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1 ZINC000095583708 562772999 /nfs/dbraw/zinc/77/29/99/562772999.db2.gz FVXZYFSAUPTDGT-UHFFFAOYSA-N 1 2 512.375 5.221 1 0 KKAFLO O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1cc2ccccc2o1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095567233 562765628 /nfs/dbraw/zinc/76/56/28/562765628.db2.gz FCNAJDGANREKAH-AREMUKBSSA-N 1 2 538.526 5.120 3 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568782 562766901 /nfs/dbraw/zinc/76/69/01/562766901.db2.gz CMNGXMPORQTCON-IWITZMJESA-N 1 2 629.802 5.149 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568782 562766902 /nfs/dbraw/zinc/76/69/02/562766902.db2.gz CMNGXMPORQTCON-IWITZMJESA-N 1 2 629.802 5.149 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccccc1OC(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095569060 562767106 /nfs/dbraw/zinc/76/71/06/562767106.db2.gz ZMFIUHOSFOIYSZ-LZZUIANGSA-N 1 2 548.613 5.598 3 0 KKAFLO O=C(c1ccc(C(F)(F)F)cc1)N(CCCn1cc[nH+]c1)[C@H](c1nc2ccccc2[nH]1)c1ccccn1 ZINC000095569446 562767435 /nfs/dbraw/zinc/76/74/35/562767435.db2.gz ZJIGQOQTSXFEBB-DEOSSOPVSA-N 1 2 504.516 5.495 3 0 KKAFLO CC(C)=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2nc[nH+]c3N)C1 ZINC000095578803 562771383 /nfs/dbraw/zinc/77/13/83/562771383.db2.gz CJPZYUOPELVRCD-RUZDIDTESA-N 1 2 537.668 5.581 1 0 KKAFLO COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(N(C)C)[nH+]c2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(F)cc(Cl)c2OC[C@H]1O)C(C)(C)C ZINC000095582883 562772743 /nfs/dbraw/zinc/77/27/43/562772743.db2.gz DYTWHPMSCVFPHV-QTVPGSOCSA-N 1 2 822.350 5.765 1 0 KKAFLO Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000095586602 562774073 /nfs/dbraw/zinc/77/40/73/562774073.db2.gz ROCCFZLSXKWBAZ-UHFFFAOYSA-N 1 2 639.287 11.417 1 0 KKAFLO CC[NH+](CC)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095588949 562774769 /nfs/dbraw/zinc/77/47/69/562774769.db2.gz KMGCNGJQRJVUED-UHFFFAOYSA-N 1 2 676.784 7.379 1 0 KKAFLO Cc1nccc2c3ccc(OC(C)C)cc3n(CCCCCCCCCn3c4cc(OC(C)C)ccc4c4cc[nH+]c(C)c43)c21 ZINC000095596462 562777015 /nfs/dbraw/zinc/77/70/15/562777015.db2.gz CSGRYDPLIQEICA-UHFFFAOYSA-N 1 2 604.839 10.315 1 0 KKAFLO O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCC[NH+]4CCOCC4)cc2C3=O)ccc1F)c1ccsc1 ZINC000095597781 562777285 /nfs/dbraw/zinc/77/72/85/562777285.db2.gz QNTVPTNIYRABDR-UHFFFAOYSA-N 1 2 571.674 5.924 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095600209 562778684 /nfs/dbraw/zinc/77/86/84/562778684.db2.gz LGFCYAUQAJYOOY-HSFWNXDSSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095600209 562778685 /nfs/dbraw/zinc/77/86/85/562778685.db2.gz LGFCYAUQAJYOOY-HSFWNXDSSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095600445 562778927 /nfs/dbraw/zinc/77/89/27/562778927.db2.gz LGFCYAUQAJYOOY-OSYMNAPVSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095600445 562778928 /nfs/dbraw/zinc/77/89/28/562778928.db2.gz LGFCYAUQAJYOOY-OSYMNAPVSA-N 1 2 711.869 6.495 1 0 KKAFLO O=C(Nc1cccc(-c2nccs2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095603491 562780560 /nfs/dbraw/zinc/78/05/60/562780560.db2.gz GKMRQEBIZLWROE-UHFFFAOYSA-N 1 2 526.706 6.198 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095603775 562780715 /nfs/dbraw/zinc/78/07/15/562780715.db2.gz MDVGURPVGABTFV-KVSUUNMHSA-N 1 2 610.711 5.565 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095603775 562780716 /nfs/dbraw/zinc/78/07/16/562780716.db2.gz MDVGURPVGABTFV-KVSUUNMHSA-N 1 2 610.711 5.565 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095605135 562781378 /nfs/dbraw/zinc/78/13/78/562781378.db2.gz CBAAPWVHONFTKW-VGBBWOKTSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095605135 562781379 /nfs/dbraw/zinc/78/13/79/562781379.db2.gz CBAAPWVHONFTKW-VGBBWOKTSA-N 1 2 724.843 6.039 1 0 KKAFLO CC(C)(C)OC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC[NH+]2CCOCC2)c1 ZINC000095605782 562781730 /nfs/dbraw/zinc/78/17/30/562781730.db2.gz YHBDWHMQFIOYAL-UHFFFAOYSA-N 1 2 543.708 6.030 1 0 KKAFLO C[N@@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2ccc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000096284518 562795139 /nfs/dbraw/zinc/79/51/39/562795139.db2.gz ZMBRTUUVWMJKHY-JHOUSYSJSA-N 1 2 570.684 5.283 1 0 KKAFLO C[N@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2ccc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000096284518 562795140 /nfs/dbraw/zinc/79/51/40/562795140.db2.gz ZMBRTUUVWMJKHY-JHOUSYSJSA-N 1 2 570.684 5.283 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccccc2)cc2c[nH]nc21 ZINC000096284733 562795328 /nfs/dbraw/zinc/79/53/28/562795328.db2.gz FKCJGQMMOGKLEI-PMERELPUSA-N 1 2 588.716 5.622 1 0 KKAFLO Cc1c[nH+]c([C@@H](Cc2cc3c[nH]nc3c(C)c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)n1Cc1cccc(F)c1 ZINC000096284758 562795377 /nfs/dbraw/zinc/79/53/77/562795377.db2.gz PLSBQWLBNQMVNQ-WJOKGBTCSA-N 1 2 620.733 6.069 1 0 KKAFLO COc1cc(C(F)(F)F)ccc1-c1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1 ZINC000096900300 562796776 /nfs/dbraw/zinc/79/67/76/562796776.db2.gz NKZRKBVNTOVNAA-UHFFFAOYSA-N 1 2 555.000 6.128 1 0 KKAFLO C[C@@]1(c2ccc(Nc3nc(NCc4ccco4)[nH+]c(NCc4ccco4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909695 562799679 /nfs/dbraw/zinc/79/96/79/562799679.db2.gz LIEXXLRLLMNBEV-MUUNZHRXSA-N 1 2 522.569 5.054 1 0 KKAFLO C[C@]1(c2ccc(Nc3nc(NCc4ccco4)[nH+]c(NCc4ccco4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909694 562799689 /nfs/dbraw/zinc/79/96/89/562799689.db2.gz LIEXXLRLLMNBEV-NDEPHWFRSA-N 1 2 522.569 5.054 1 0 KKAFLO CCCCCNc1nc(Nc2ccc([C@]3(C)Nc4ccccc4C(=O)N3)cc2)nc(NCCCCC)[nH+]1 ZINC000096909938 562799861 /nfs/dbraw/zinc/79/98/61/562799861.db2.gz GJTONGNJEZANNM-MUUNZHRXSA-N 1 2 502.667 5.848 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OS(=O)(=O)c4ccc(C)cc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913918 562800580 /nfs/dbraw/zinc/80/05/80/562800580.db2.gz ONPXTVOELALULH-PMERELPUSA-N 1 2 630.763 5.247 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OS(=O)(=O)c4ccc(C)cc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913918 562800581 /nfs/dbraw/zinc/80/05/81/562800581.db2.gz ONPXTVOELALULH-PMERELPUSA-N 1 2 630.763 5.247 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@H](O)c3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)c1ccccc1 ZINC000096926970 562802423 /nfs/dbraw/zinc/80/24/23/562802423.db2.gz IJHUVZPNRYVWPH-OOTBGRMCSA-N 1 2 616.762 6.045 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@H](O)c3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)c1ccccc1 ZINC000096926970 562802424 /nfs/dbraw/zinc/80/24/24/562802424.db2.gz IJHUVZPNRYVWPH-OOTBGRMCSA-N 1 2 616.762 6.045 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCC[NH+]3CCOCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935314 562804070 /nfs/dbraw/zinc/80/40/70/562804070.db2.gz SGTORJCNPYSWIC-UHFFFAOYSA-N 1 2 554.691 5.163 1 0 KKAFLO Nc1ccccc1-c1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000096940304 562804941 /nfs/dbraw/zinc/80/49/41/562804941.db2.gz RZVQOLGEQGALBB-UHFFFAOYSA-N 1 2 563.730 8.736 1 0 KKAFLO COc1c(C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)cc(Br)c2ccccc21 ZINC000096942034 562805107 /nfs/dbraw/zinc/80/51/07/562805107.db2.gz QCIVSGZRNOFBPZ-UHFFFAOYSA-N 1 2 537.285 5.470 1 0 KKAFLO C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)[C@H]1[NH2+]C=C(CCc2ccccc2)S1 ZINC000100645811 562807198 /nfs/dbraw/zinc/80/71/98/562807198.db2.gz IQSWDZUJSSCOIV-STJGIBHLSA-N 1 2 541.761 7.157 1 0 KKAFLO Cn1c2ccccc2n(CC(=O)N2CCc3ccc(Cl)cc3[C@H]2Cc2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000101711564 562812008 /nfs/dbraw/zinc/81/20/08/562812008.db2.gz ISJQTNALVQPSJY-XMMPIXPASA-N 1 2 513.856 5.788 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2c(Cl)cccc2Cl)nc(NC[NH+]2CCCCC2)n1 ZINC000103170747 562814829 /nfs/dbraw/zinc/81/48/29/562814829.db2.gz ZOUVPEFNEGUDNU-UHFFFAOYSA-N 1 2 560.279 6.842 1 0 KKAFLO CCC(CC)C(=O)Nc1ccc(N2CC[NH+]([C@H](C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC000103227703 562817907 /nfs/dbraw/zinc/81/79/07/562817907.db2.gz HDXLXOKQGJWRBU-SANMLTNESA-N 1 2 566.640 5.831 1 0 KKAFLO CC[N@H+](CCCCCCOc1ccc(-c2coc3cc(O)cc(=O)c-3c2O)cc1)Cc1ccccc1OC ZINC000103251921 562820368 /nfs/dbraw/zinc/82/03/68/562820368.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N 1 2 517.622 6.341 1 0 KKAFLO CC[N@@H+](CCCCCCOc1ccc(-c2coc3cc(O)cc(=O)c-3c2O)cc1)Cc1ccccc1OC ZINC000103251921 562820369 /nfs/dbraw/zinc/82/03/69/562820369.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N 1 2 517.622 6.341 1 0 KKAFLO CC[N@H+](CCCCCCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1)Cc1ccccc1OC ZINC000103251921 562820370 /nfs/dbraw/zinc/82/03/70/562820370.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N 1 2 517.622 6.341 1 0 KKAFLO CC[N@@H+](CCCCCCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1)Cc1ccccc1OC ZINC000103251921 562820371 /nfs/dbraw/zinc/82/03/71/562820371.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N 1 2 517.622 6.341 1 0 KKAFLO CCOc1ccccc1C1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[NH2+]1 ZINC000103255256 562820712 /nfs/dbraw/zinc/82/07/12/562820712.db2.gz ZPDOKJLMEDEGBM-BDYUSTAISA-N 1 2 524.448 5.833 1 0 KKAFLO O=C(c1cnccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000103261430 562821411 /nfs/dbraw/zinc/82/14/11/562821411.db2.gz KHFLLJBGWYJVAO-LJAQVGFWSA-N 1 2 620.594 5.517 1 0 KKAFLO Cn1c[nH+]cc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263828 562821839 /nfs/dbraw/zinc/82/18/39/562821839.db2.gz TYNOFQUWLFNSFL-JDXGNMNLSA-N 1 2 548.087 5.016 1 0 KKAFLO COc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c21 ZINC000103292013 562824271 /nfs/dbraw/zinc/82/42/71/562824271.db2.gz WDBAGEJAANHUNF-DFHRPNOPSA-N 1 2 575.756 5.815 1 0 KKAFLO C[NH+]1CCN(CCc2cccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)c2)CC1 ZINC000114039012 562827295 /nfs/dbraw/zinc/82/72/95/562827295.db2.gz NHUPHFLEHBNBHY-UHFFFAOYSA-N 1 2 559.085 6.526 1 0 KKAFLO C[NH+]1CCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000114039657 562827437 /nfs/dbraw/zinc/82/74/37/562827437.db2.gz CPYJCYCPESTRIX-UHFFFAOYSA-N 1 2 536.463 6.714 1 0 KKAFLO Cc1c(-c2cccc3ccccc32)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093597 562830134 /nfs/dbraw/zinc/83/01/34/562830134.db2.gz KWNJSKFLEDQLMF-UHFFFAOYSA-N 1 2 536.626 7.303 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(C[C@@H](C[NH+]6CCOCC6)OC(=O)C6CCCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000135618282 562831040 /nfs/dbraw/zinc/83/10/40/562831040.db2.gz YMOMNAOZYURCSJ-CVULTACXSA-N 1 2 598.825 5.614 1 0 KKAFLO Cc1[nH+]c2ccccc2n1CC(=O)N(c1ccc(NC(=O)C(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140325234 562833005 /nfs/dbraw/zinc/83/30/05/562833005.db2.gz DNUBFHDTUPIDPD-MHZLTWQESA-N 1 2 545.709 5.690 1 0 KKAFLO COc1ccc(C(C)(C)c2cnc(SCCOc3ccc(-n4cc[nH+]c4)cc3F)n2-c2ccc(F)cc2)cc1OC ZINC000145783393 562837612 /nfs/dbraw/zinc/83/76/12/562837612.db2.gz VYMQHSXPPKDMAJ-UHFFFAOYSA-N 1 2 576.669 6.850 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)cn2)C1 ZINC000147301866 562839209 /nfs/dbraw/zinc/83/92/09/562839209.db2.gz NGGUKLWGYUVOPF-QHCPKHFHSA-N 1 2 583.615 6.121 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5oc(C)nc5c4)c3c2)C1 ZINC000147810708 562839629 /nfs/dbraw/zinc/83/96/29/562839629.db2.gz LOAHOWVPIHFSIX-HXUWFJFHSA-N 1 2 513.573 5.222 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5oc(C)nc5c4)c3c2)C1 ZINC000147810708 562839630 /nfs/dbraw/zinc/83/96/30/562839630.db2.gz LOAHOWVPIHFSIX-HXUWFJFHSA-N 1 2 513.573 5.222 1 0 KKAFLO O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000150524436 562843705 /nfs/dbraw/zinc/84/37/05/562843705.db2.gz QUYDGFKEUNESQI-HHHXNRCGSA-N 1 2 642.622 5.070 1 0 KKAFLO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2Cl)cc1 ZINC000150599769 562847045 /nfs/dbraw/zinc/84/70/45/562847045.db2.gz CXUMJZPVJWIKRT-UHFFFAOYSA-N 1 2 640.231 5.499 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000164643379 562849678 /nfs/dbraw/zinc/84/96/78/562849678.db2.gz ZCVYIHRVDJPYRU-NDEPHWFRSA-N 1 2 651.620 6.135 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000164643379 562849679 /nfs/dbraw/zinc/84/96/79/562849679.db2.gz ZCVYIHRVDJPYRU-NDEPHWFRSA-N 1 2 651.620 6.135 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000164643538 562849699 /nfs/dbraw/zinc/84/96/99/562849699.db2.gz ZCVYIHRVDJPYRU-MUUNZHRXSA-N 1 2 651.620 6.135 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000164643538 562849700 /nfs/dbraw/zinc/84/97/00/562849700.db2.gz ZCVYIHRVDJPYRU-MUUNZHRXSA-N 1 2 651.620 6.135 1 0 KKAFLO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCC[NH+]5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000165259279 562849962 /nfs/dbraw/zinc/84/99/62/562849962.db2.gz MBXNFIVUIUYGGR-UHFFFAOYSA-N 1 2 636.557 5.206 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000165418783 562850260 /nfs/dbraw/zinc/85/02/60/562850260.db2.gz VZAHECLYMRBRNE-UHFFFAOYSA-N 1 2 731.981 8.812 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)[C@@H](C)CC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000169329653 562858566 /nfs/dbraw/zinc/85/85/66/562858566.db2.gz PLNDZQXQMZEUDA-KMDXXIMOSA-N 1 2 543.814 7.679 1 0 KKAFLO CCCCNC(=S)NS(=O)(=O)c1ccc(N2[NH+]=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccccc2)cc1 ZINC000169339735 562860520 /nfs/dbraw/zinc/86/05/20/562860520.db2.gz GKATZDZIOXDRAA-MHZLTWQESA-N 1 2 535.739 5.061 1 0 KKAFLO CCCCNC(=S)NS(=O)(=O)c1ccc(N2[NH+]=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000169339739 562860524 /nfs/dbraw/zinc/86/05/24/562860524.db2.gz SKNKVFCMMYRYOQ-MUUNZHRXSA-N 1 2 565.765 5.070 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000169362983 562864300 /nfs/dbraw/zinc/86/43/00/562864300.db2.gz XLAYTQSXXHBEQX-QRRWFCJLSA-N 1 2 596.680 5.972 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000169362983 562864301 /nfs/dbraw/zinc/86/43/01/562864301.db2.gz XLAYTQSXXHBEQX-QRRWFCJLSA-N 1 2 596.680 5.972 1 0 KKAFLO O=C(CCN1CCOCC1)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC(=O)CC[NH+]3CCOCC3)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698225 562867032 /nfs/dbraw/zinc/86/70/32/562867032.db2.gz FBGOFGHVFTXEHV-KKLWWLSJSA-N 1 2 875.858 5.152 1 0 KKAFLO CN(c1cc2c(cc1C(=O)NCC(F)(F)F)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)C1CC1 ZINC000169700890 562867724 /nfs/dbraw/zinc/86/77/24/562867724.db2.gz GAZVIPUQNKOYLH-UHFFFAOYSA-N 1 2 599.485 6.177 1 0 KKAFLO CN(CCC(F)(F)F)c1cc2c(cc1C(=O)NCC(F)(F)F)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700900 562867782 /nfs/dbraw/zinc/86/77/82/562867782.db2.gz QZNNXBRLWKFFTQ-UHFFFAOYSA-N 1 2 655.471 6.967 1 0 KKAFLO Cc1nc(C(F)(F)F)c(CNC(=O)c2cc3[nH+]c(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2N2CCC(C(F)(F)F)CC2)s1 ZINC000169701033 562867886 /nfs/dbraw/zinc/86/78/86/562867886.db2.gz DYXZXQAGZHRGOF-UHFFFAOYSA-N 1 2 778.651 8.778 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3nc(C(F)(F)F)cs3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701036 562867888 /nfs/dbraw/zinc/86/78/88/562867888.db2.gz QHUACBRCKXBREB-UHFFFAOYSA-N 1 2 750.597 8.792 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cc(C(C)(C)CO)no3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701035 562867919 /nfs/dbraw/zinc/86/79/19/562867919.db2.gz LXKIOUIBEDKKGY-UHFFFAOYSA-N 1 2 738.639 7.575 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701052 562867937 /nfs/dbraw/zinc/86/79/37/562867937.db2.gz VONCIJIFLUFABP-MRXNPFEDSA-N 1 2 667.947 7.581 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NC[C@H]3CC3(Cl)Cl)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703100 562868611 /nfs/dbraw/zinc/86/86/11/562868611.db2.gz MLCQNIFTBYXZTD-CQSZACIVSA-N 1 2 651.369 6.854 1 0 KKAFLO CN(C)c1cc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)nc(C(F)(F)F)n1 ZINC000169704679 562869085 /nfs/dbraw/zinc/86/90/85/562869085.db2.gz LPNSUOWOKLVFEB-UHFFFAOYSA-N 1 2 523.441 5.227 1 0 KKAFLO CC(C)(C)OC(=O)NCC1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)cn2)CC1 ZINC000169704761 562869144 /nfs/dbraw/zinc/86/91/44/562869144.db2.gz TUSASGMHAWDHSE-UHFFFAOYSA-N 1 2 623.680 6.488 1 0 KKAFLO CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000203987772 562874306 /nfs/dbraw/zinc/87/43/06/562874306.db2.gz CHOFQCXHQXMKTL-UHFFFAOYSA-N 1 2 520.008 5.883 1 0 KKAFLO CC(C)C(NC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000205031096 562874773 /nfs/dbraw/zinc/87/47/73/562874773.db2.gz FJEUVOWETBGDAF-UHSQPCAPSA-N 1 2 552.723 5.185 1 0 KKAFLO CC(C)C(NC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C[N@H+]1Cc1ccccc1)C(C)C ZINC000205031096 562874774 /nfs/dbraw/zinc/87/47/74/562874774.db2.gz FJEUVOWETBGDAF-UHSQPCAPSA-N 1 2 552.723 5.185 1 0 KKAFLO C[C@H](c1ccncc1)N1CC[NH+](Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1 ZINC000205445410 562875414 /nfs/dbraw/zinc/87/54/14/562875414.db2.gz DNTMCNBTTISIRL-LJQANCHMSA-N 1 2 523.521 5.940 1 0 KKAFLO C[C@H](c1ccncc1)[NH+]1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1 ZINC000205445410 562875415 /nfs/dbraw/zinc/87/54/15/562875415.db2.gz DNTMCNBTTISIRL-LJQANCHMSA-N 1 2 523.521 5.940 1 0 KKAFLO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(-c5ccc(N6CCOCC6)[nH+]c5)c4)o3)nc2s1 ZINC000205683159 562875638 /nfs/dbraw/zinc/87/56/38/562875638.db2.gz OGHHKZGLXZWYIH-UHFFFAOYSA-N 1 2 569.643 5.699 1 0 KKAFLO Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCc3c[nH+]c[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103141 562876265 /nfs/dbraw/zinc/87/62/65/562876265.db2.gz DGWXQHKAOFMVFK-VWLOTQADSA-N 1 2 512.416 6.476 1 0 KKAFLO Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCc3c[nH]c[nH+]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103141 562876264 /nfs/dbraw/zinc/87/62/64/562876264.db2.gz DGWXQHKAOFMVFK-VWLOTQADSA-N 1 2 512.416 6.476 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c1 ZINC000215495339 562877372 /nfs/dbraw/zinc/87/73/72/562877372.db2.gz LDKVFOIVKRUSAV-UHFFFAOYSA-N 1 2 516.570 5.555 1 0 KKAFLO C[NH+]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4cc(C(F)(F)F)c(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000219380433 562878185 /nfs/dbraw/zinc/87/81/85/562878185.db2.gz HWNZBFOVTLQXEP-UHFFFAOYSA-N 1 2 600.016 6.902 1 0 KKAFLO Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000220424894 562878472 /nfs/dbraw/zinc/87/84/72/562878472.db2.gz YYFZJTXODAVFGP-JOCHJYFZSA-N 1 2 544.706 5.188 1 0 KKAFLO Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000220424894 562878473 /nfs/dbraw/zinc/87/84/73/562878473.db2.gz YYFZJTXODAVFGP-JOCHJYFZSA-N 1 2 544.706 5.188 1 0 KKAFLO COc1cc[nH+]cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224064715 562880228 /nfs/dbraw/zinc/88/02/28/562880228.db2.gz URYVVMMWEFMDLZ-VWLOTQADSA-N 1 2 511.384 6.595 1 0 KKAFLO COc1cc[nH+]cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224064666 562880244 /nfs/dbraw/zinc/88/02/44/562880244.db2.gz URYVVMMWEFMDLZ-RUZDIDTESA-N 1 2 511.384 6.595 1 0 KKAFLO Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)c[nH+]1 ZINC000224796783 562880577 /nfs/dbraw/zinc/88/05/77/562880577.db2.gz UQJLPEJPXGDDRP-DEOSSOPVSA-N 1 2 501.505 5.719 1 0 KKAFLO O=C1C[N@H+]([C@H]2CC[C@](c3ccccc3)(N3CCC[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC2)CCN1c1ccccc1 ZINC000253673715 562882731 /nfs/dbraw/zinc/88/27/31/562882731.db2.gz AKDFSCPPNYDWHG-OUTLAKLDSA-N 1 2 643.672 7.617 1 0 KKAFLO O=C1C[N@@H+]([C@H]2CC[C@](c3ccccc3)(N3CCC[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC2)CCN1c1ccccc1 ZINC000253673715 562882732 /nfs/dbraw/zinc/88/27/32/562882732.db2.gz AKDFSCPPNYDWHG-OUTLAKLDSA-N 1 2 643.672 7.617 1 0 KKAFLO 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](NC(=O)OC)C5CC5)[nH+]4)CC3)cc2)c[nH]1)C1CC1 ZINC000299826654 562883936 /nfs/dbraw/zinc/88/39/36/562883936.db2.gz MLISHLLJZMFNOL-KXCSPHHCSA-N 1 2 740.906 5.837 1 0 KKAFLO Cc1c(-c2cc(Nc3ccc(N4CC[NH+](C5COC5)CC4)cn3)c(=O)n(C)c2)cccc1-n1ccc2cc(C3CC3)cc(F)c2c1=O ZINC000299838825 562887954 /nfs/dbraw/zinc/88/79/54/562887954.db2.gz RFRWGHSIAPNITJ-UHFFFAOYSA-N 1 2 632.740 5.341 1 0 KKAFLO CC(C)N1C(=O)c2ccc(N[C@@H](CCc3ccc(N)[nH+]c3)P(=O)(Oc3ccccc3)Oc3ccccc3)cc2C1=O ZINC000473086121 562897041 /nfs/dbraw/zinc/89/70/41/562897041.db2.gz AWXWUULYKUOSIH-GDLZYMKVSA-N 1 2 570.586 6.220 1 0 KKAFLO COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(C(=O)c3cc(Br)c(OCc4ccccc4)cc3OCC[NH+]3CCOCC3)C2=O)cc1OC ZINC000473090805 562897616 /nfs/dbraw/zinc/89/76/16/562897616.db2.gz PKYUAOUVVSPFLP-UHFFFAOYSA-N 1 2 787.660 5.894 1 0 KKAFLO CC[N@H+](CCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117621 562899231 /nfs/dbraw/zinc/89/92/31/562899231.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 1 2 519.594 5.482 1 0 KKAFLO Cc1cc2[nH]c([C@@H](CNC(=O)c3c(Cl)cc(-n4cnnc4)cc3C(F)(F)F)c3ccccc3)[nH+]c2cc1C ZINC000473153701 562902032 /nfs/dbraw/zinc/90/20/32/562902032.db2.gz CMDSJCQVWKKDCI-IBGZPJMESA-N 1 2 538.961 5.995 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CC[NH+](C)C)CC1 ZINC000473213472 562903904 /nfs/dbraw/zinc/90/39/04/562903904.db2.gz IKLTYSGNZFSBJX-SAABIXHNSA-N 1 2 501.458 5.856 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[NH+]2CCOCC2)CC1 ZINC000473213511 562903925 /nfs/dbraw/zinc/90/39/25/562903925.db2.gz VYMMKYGOMQIWEJ-UAPYVXQJSA-N 1 2 529.468 5.237 1 0 KKAFLO O=C([O-])C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C1CCCCCCCCC1 ZINC000473215312 562904073 /nfs/dbraw/zinc/90/40/73/562904073.db2.gz IRERFSFZSAVNDL-DAMQTCOWSA-N 1 2 506.735 6.709 1 0 KKAFLO O=C([O-])C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C1CCCCCCCCC1 ZINC000473215312 562904074 /nfs/dbraw/zinc/90/40/74/562904074.db2.gz IRERFSFZSAVNDL-DAMQTCOWSA-N 1 2 506.735 6.709 1 0 KKAFLO O=C([O-])C[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCCCCC1 ZINC000473215312 562904075 /nfs/dbraw/zinc/90/40/75/562904075.db2.gz IRERFSFZSAVNDL-DAMQTCOWSA-N 1 2 506.735 6.709 1 0 KKAFLO O=C([O-])C[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCCCCC1 ZINC000473215312 562904076 /nfs/dbraw/zinc/90/40/76/562904076.db2.gz IRERFSFZSAVNDL-DAMQTCOWSA-N 1 2 506.735 6.709 1 0 KKAFLO CCCCCc1c(S(=O)(=O)c2ccccc2)nnn1[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000653735571 562909676 /nfs/dbraw/zinc/90/96/76/562909676.db2.gz QODMFFZFJDAQGM-HSZRJFAPSA-N 1 2 518.470 5.637 1 0 KKAFLO CC1(C)C[C@H](c2ccc(C(F)(F)F)cc2C2(F)C[NH2+]C2)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653742639 562910235 /nfs/dbraw/zinc/91/02/35/562910235.db2.gz FXSRKEVVPAPAOG-GOSISDBHSA-N 1 2 541.592 5.424 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NC[C@@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653751556 562910706 /nfs/dbraw/zinc/91/07/06/562910706.db2.gz SJDPXOCKEUCGCI-SSEXGKCCSA-N 1 2 571.685 5.656 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C(C)C)[NH+]=C3N=CNN3[C@@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)nc1 ZINC000653757875 562911107 /nfs/dbraw/zinc/91/11/07/562911107.db2.gz SWRUOXTZSYWKDD-MUUNZHRXSA-N 1 2 516.609 5.051 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653773277 562911901 /nfs/dbraw/zinc/91/19/01/562911901.db2.gz XWQMHAWINBSVOR-UHFFFAOYSA-N 1 2 614.710 5.717 1 0 KKAFLO Cc1[nH+]c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(N4CCCCC4)n3)cc2n1Cc1ccccc1 ZINC000653799609 562913283 /nfs/dbraw/zinc/91/32/83/562913283.db2.gz QRSRJORACUYHQN-UHFFFAOYSA-N 1 2 508.605 6.195 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1)Nc1ccc(CNc2nc3cc(OCC[NH+]4CCOCC4)ccc3o2)cc1 ZINC000653826110 562914445 /nfs/dbraw/zinc/91/44/45/562914445.db2.gz XIBMFBLOGOCHDC-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO COc1ccc(-n2c(-c3ccc(OCc4ccccc4)cc3)nc3c2nc(C)nc3NCC[NH+]2CCOCC2)cc1OC ZINC000653894843 562917308 /nfs/dbraw/zinc/91/73/08/562917308.db2.gz VAAAOCWWFUXDCW-UHFFFAOYSA-N 1 2 580.689 5.131 1 0 KKAFLO COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C(C)C)c4)n(C)c3)cc2)c1 ZINC000653897423 562917428 /nfs/dbraw/zinc/91/74/28/562917428.db2.gz LYQKSVNIFXNQRK-CMDGGOBGSA-N 1 2 638.769 5.153 1 0 KKAFLO COCC[C@H]1[C@H]2CC[C@H](C(C)C)[C@H](C2)C[C@@H]([C@@H](C[C@@H](CCc2cc(OC)c(O)cc2-c2cc[nH+]c(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629306 565161778 /nfs/dbraw/zinc/16/17/78/565161778.db2.gz XMVUIKDEQKCONE-OKKAXPHRSA-N 1 2 668.872 6.343 1 0 biogenic,in-vitro KKAFLO COCC[C@H]1CC[C@@H](CC(C)C)C[C@H]([C@@H](C[C@@H](CCc2cc(OCCO)c(O)cc2-c2cc[nH+]c(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629314 565161811 /nfs/dbraw/zinc/16/18/11/565161811.db2.gz CXULLTPNLQIACB-JTDJIOMCSA-N 1 2 672.860 5.460 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CCCO)c3cc[nH+]c(N)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571213 291919913 /nfs/dbraw/zinc/91/99/13/291919913.db2.gz BMLAYSNUJSWTJN-RHSZJHHESA-N 1 2 544.692 6.031 1 0 biogenic,in-vitro KKAFLO COCC[C@H]1CC[C@@H](CC(C)C)C[C@H]([C@@H](C[C@@H](CCc2cc(OC)c(O)cc2-c2cc[nH+]c(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629320 291960779 /nfs/dbraw/zinc/96/07/79/291960779.db2.gz IQJKWWCMPFMYPD-KYMHVORESA-N 1 2 642.834 6.097 1 0 biogenic,in-vitro KKAFLO COCC[C@H]1[C@H]2CC[C@H](C(C)C)[C@H](C2)C[C@@H]([C@@H](C[C@@H](CCc2cc(OCCO)c(O)cc2-c2cc[nH+]c(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629301 291960787 /nfs/dbraw/zinc/96/07/87/291960787.db2.gz OADHLZLQDREUAW-KZTKCENXSA-N 1 2 698.898 5.706 1 0 biogenic,in-vitro KKAFLO Clc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccc1Oc1ccc2ccccc2c1Cl ZINC000003148960 561681434 /nfs/dbraw/zinc/68/14/34/561681434.db2.gz AIELSOYNQBBFTA-UHFFFAOYSA-N 1 2 510.218 8.993 1 0 KKAFLO Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NC[C@H]2CCCO2)[nH+]1 ZINC000003816598 561682975 /nfs/dbraw/zinc/68/29/75/561682975.db2.gz QONHZAOUSLDLOE-QGZVFWFLSA-N 1 2 509.035 5.943 1 0 KKAFLO CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCOC(=O)C[NH+](C)C)Cc1ccccc1-4)C(=O)NC3 ZINC000003955614 561690938 /nfs/dbraw/zinc/69/09/38/561690938.db2.gz UHEBDUAFKQHUBV-UHFFFAOYSA-N 1 2 525.649 5.029 1 0 in-man KKAFLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643482 561722437 /nfs/dbraw/zinc/72/24/37/561722437.db2.gz HOLPNXWHHIMZAU-UHFFFAOYSA-N 1 2 517.428 5.721 1 0 KKAFLO CCCCc1[nH+]c2ccc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013732071 561725277 /nfs/dbraw/zinc/72/52/77/561725277.db2.gz VDNYWPGFDZMZIL-UHFFFAOYSA-N 1 2 505.626 5.791 1 0 KKAFLO S=C(NCCCCN(Cc1ccc(Br)cc1)c1cccc[nH+]1)NCCCc1ccccc1 ZINC000013782013 561729583 /nfs/dbraw/zinc/72/95/83/561729583.db2.gz QDWDLCUCJILOGI-UHFFFAOYSA-N 1 2 511.533 5.728 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)c1ccccc1 ZINC000013803060 561730934 /nfs/dbraw/zinc/73/09/34/561730934.db2.gz JBHMGPLFBVLTLB-UHFFFAOYSA-N 1 2 501.590 5.478 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCN(C(=O)c1cccc3ccccc31)C2)c1ccccc1 ZINC000013803060 561730935 /nfs/dbraw/zinc/73/09/35/561730935.db2.gz JBHMGPLFBVLTLB-UHFFFAOYSA-N 1 2 501.590 5.478 1 0 KKAFLO CC(C)(C)c1cc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)n(C2CCCCC2)n1 ZINC000014956548 561747753 /nfs/dbraw/zinc/74/77/53/561747753.db2.gz NKFKNLAAVAGPER-UHFFFAOYSA-N 1 2 519.690 6.194 1 0 KKAFLO O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000014959719 561748224 /nfs/dbraw/zinc/74/82/24/561748224.db2.gz UPZFSDPZCQPKHL-UHFFFAOYSA-N 1 2 519.026 6.138 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=[NH+]C[C@H](C)O2)c1Cl ZINC000014963125 561748788 /nfs/dbraw/zinc/74/87/88/561748788.db2.gz FYCOIHUIEIWMMT-LBPRGKRZSA-N 1 2 582.897 5.823 1 0 KKAFLO CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=[NH+][C@@H](C)CO1 ZINC000014963129 561748806 /nfs/dbraw/zinc/74/88/06/561748806.db2.gz HJYDFNHBDGEPFJ-ZDUSSCGKSA-N 1 2 596.924 6.213 1 0 KKAFLO COCCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=[NH+]CCO1 ZINC000014963114 561748814 /nfs/dbraw/zinc/74/88/14/561748814.db2.gz TVQSBEQUZFIHLK-UHFFFAOYSA-N 1 2 612.923 5.451 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COc2ccc3c(c2)N(CCOC(=O)C(C)C)CCC3)cc1 ZINC000014966551 561750035 /nfs/dbraw/zinc/75/00/35/561750035.db2.gz APVPAEUTGJXHOF-WJOKGBTCSA-N 1 2 645.797 5.017 1 0 KKAFLO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1 ZINC000014978287 561752661 /nfs/dbraw/zinc/75/26/61/561752661.db2.gz YCOQGGMZWKBBGI-SQJMNOBHSA-N 1 2 597.782 5.487 1 0 in-vitro KKAFLO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1 ZINC000014978287 561752662 /nfs/dbraw/zinc/75/26/62/561752662.db2.gz YCOQGGMZWKBBGI-SQJMNOBHSA-N 1 2 597.782 5.487 1 0 in-vitro KKAFLO COc1cccc([C@@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(Br)c2)c1 ZINC000022925559 561759712 /nfs/dbraw/zinc/75/97/12/561759712.db2.gz ZVXTZYNQLSAYCQ-AELAXVIFSA-N 1 2 521.499 5.895 1 0 KKAFLO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576937 561800855 /nfs/dbraw/zinc/80/08/55/561800855.db2.gz YIYXKSVVEYNIOV-ZVAVAYMBSA-N 1 2 590.856 8.241 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026651582 561808486 /nfs/dbraw/zinc/80/84/86/561808486.db2.gz IAGBXLVADMVFOS-RUZDIDTESA-N 1 2 554.115 6.837 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026651582 561808489 /nfs/dbraw/zinc/80/84/89/561808489.db2.gz IAGBXLVADMVFOS-RUZDIDTESA-N 1 2 554.115 6.837 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)c(F)c1)c1ccccc1-c1ccccc1 ZINC000026663399 561810732 /nfs/dbraw/zinc/81/07/32/561810732.db2.gz HSDDTGMGJRTAES-VWLOTQADSA-N 1 2 537.660 6.323 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)c(F)c1)c1ccccc1-c1ccccc1 ZINC000026663399 561810734 /nfs/dbraw/zinc/81/07/34/561810734.db2.gz HSDDTGMGJRTAES-VWLOTQADSA-N 1 2 537.660 6.323 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 ZINC000026664124 561810905 /nfs/dbraw/zinc/81/09/05/561810905.db2.gz IBRRMWAYJVCIAO-VWLOTQADSA-N 1 2 572.105 6.976 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 ZINC000026664124 561810906 /nfs/dbraw/zinc/81/09/06/561810906.db2.gz IBRRMWAYJVCIAO-VWLOTQADSA-N 1 2 572.105 6.976 1 0 KKAFLO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026668694 561811793 /nfs/dbraw/zinc/81/17/93/561811793.db2.gz BZFNKUVKRNSKNV-AHWVRZQESA-N 1 2 523.077 5.294 1 0 KKAFLO CC[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000026668580 561811809 /nfs/dbraw/zinc/81/18/09/561811809.db2.gz JKZJVWFAURIWQG-UHFFFAOYSA-N 1 2 532.874 8.014 1 0 KKAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5cc(F)c(F)cc5c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308207 561850057 /nfs/dbraw/zinc/85/00/57/561850057.db2.gz ZLMCVYREPUEHSC-UHFFFAOYSA-N 1 2 684.169 5.082 1 0 KKAFLO FC(F)(F)c1cc(COC[C@@H](c2ccccc2)[NH+]2CCN(CCCCc3nn[nH]n3)CC2)cc(C(F)(F)F)c1 ZINC000027517446 561861201 /nfs/dbraw/zinc/86/12/01/561861201.db2.gz VLROGTSVMJUONC-QHCPKHFHSA-N 1 2 556.555 5.136 1 0 KKAFLO O[C@@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520238 561863421 /nfs/dbraw/zinc/86/34/21/561863421.db2.gz XYXHIWPGWLEQOL-OAQYLSRUSA-N 1 2 596.601 5.251 1 0 KKAFLO O[C@@H](CSc1ncnc2[nH]cnc21)CN1CC[NH+](C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520238 561863424 /nfs/dbraw/zinc/86/34/24/561863424.db2.gz XYXHIWPGWLEQOL-OAQYLSRUSA-N 1 2 596.601 5.251 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027522713 561864662 /nfs/dbraw/zinc/86/46/62/561864662.db2.gz SACCLAHUORGRHA-UHFFFAOYSA-N 1 2 536.862 6.052 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027522713 561864663 /nfs/dbraw/zinc/86/46/63/561864663.db2.gz SACCLAHUORGRHA-UHFFFAOYSA-N 1 2 536.862 6.052 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027524252 561865525 /nfs/dbraw/zinc/86/55/25/561865525.db2.gz JHSRAFIAXWJDEF-UHFFFAOYSA-N 1 2 564.916 6.833 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027524252 561865526 /nfs/dbraw/zinc/86/55/26/561865526.db2.gz JHSRAFIAXWJDEF-UHFFFAOYSA-N 1 2 564.916 6.833 1 0 KKAFLO COc1cc2[nH+]c(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc(Nc3ccc(C)cc3)c2cc1OC ZINC000027524704 561865796 /nfs/dbraw/zinc/86/57/96/561865796.db2.gz BZJRBVDCUXJBLG-UHFFFAOYSA-N 1 2 569.706 6.735 1 0 KKAFLO O=C(c1cccc2ccccc21)N1CCN(Cc2c[nH+]c[nH]2)c2cc(NS(=O)(=O)c3ccccc3)ccc2C1 ZINC000027563750 561871465 /nfs/dbraw/zinc/87/14/65/561871465.db2.gz LUWZAQHNTQFUNH-UHFFFAOYSA-N 1 2 537.645 5.026 1 0 KKAFLO O=C(c1cccc2ccccc21)N1CCN(Cc2c[nH]c[nH+]2)c2cc(NS(=O)(=O)c3ccccc3)ccc2C1 ZINC000027563750 561871467 /nfs/dbraw/zinc/87/14/67/561871467.db2.gz LUWZAQHNTQFUNH-UHFFFAOYSA-N 1 2 537.645 5.026 1 0 KKAFLO Cc1ccc(CCNc2ccc([C@@H](Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)c[nH+]2)cc1 ZINC000027848900 561885834 /nfs/dbraw/zinc/88/58/34/561885834.db2.gz WPJSVTWGBMKFBF-DEOSSOPVSA-N 1 2 541.545 6.255 1 0 KKAFLO CN(Cc1ccc2ccccc2c1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027864643 561887557 /nfs/dbraw/zinc/88/75/57/561887557.db2.gz WUFNRPZFAQJKKI-HHHXNRCGSA-N 1 2 577.578 7.082 1 0 KKAFLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1 ZINC000028017548 561897720 /nfs/dbraw/zinc/89/77/20/561897720.db2.gz BUSOHISTSQHOLT-XMMPIXPASA-N 1 2 582.623 5.126 1 0 KKAFLO CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028336031 561913374 /nfs/dbraw/zinc/91/33/74/561913374.db2.gz GPEOXJGBWGMANI-UHFFFAOYSA-N 1 2 602.477 5.306 1 0 KKAFLO CC(=O)N(C)[C@@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)cc[nH+]2)C1 ZINC000028337409 561913615 /nfs/dbraw/zinc/91/36/15/561913615.db2.gz UOPLAJAFYJNCFL-JOCHJYFZSA-N 1 2 513.629 7.099 1 0 KKAFLO COc1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCCN(C(C)=O)CC3)c2)cc1C(F)(F)F ZINC000028353236 561915734 /nfs/dbraw/zinc/91/57/34/561915734.db2.gz FIOKSZYEWJPCQK-UHFFFAOYSA-N 1 2 501.574 5.986 1 0 KKAFLO CCCC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2[nH]cc[nH+]2)NC(=O)c2ccccc2)CC1 ZINC000028371291 561918339 /nfs/dbraw/zinc/91/83/39/561918339.db2.gz IOZUOFYJYFUOSK-FIRIVFDPSA-N 1 2 660.259 5.690 1 0 KKAFLO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1Sc1ccc(NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000028385125 561920965 /nfs/dbraw/zinc/92/09/65/561920965.db2.gz FXBHMTSMPGNUKW-UHFFFAOYSA-N 1 2 654.132 6.188 1 0 KKAFLO O=S(=O)(Nc1cccc([C@@H](O)C[NH2+]CCc2c[nH]c3c2cccc3OCc2ccccc2)c1)c1cccs1 ZINC000028455621 561923605 /nfs/dbraw/zinc/92/36/05/561923605.db2.gz KAVSWSLFONVWBQ-SANMLTNESA-N 1 2 547.702 5.475 1 0 KKAFLO C[C@H](Cc1c[nH]c2c1cccc2OS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000028456208 561923685 /nfs/dbraw/zinc/92/36/85/561923685.db2.gz GCQVZQCNVVPWFA-IBVKSMDESA-N 1 2 611.767 5.052 1 0 KKAFLO COc1ccc(-c2cc(SC)n(-c3nc(NCc4ccccc4)[nH+]c(NCc4ccccc4)n3)n2)cc1OC ZINC000028527851 561932602 /nfs/dbraw/zinc/93/26/02/561932602.db2.gz TYAOBCFYQOVPHW-UHFFFAOYSA-N 1 2 539.665 5.688 1 0 KKAFLO CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028523138 561929813 /nfs/dbraw/zinc/92/98/13/561929813.db2.gz RYUJZKYTNJACIJ-UHFFFAOYSA-N 1 2 602.477 5.306 1 0 KKAFLO C[C@@H]1C[N@H+]([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568944 561937642 /nfs/dbraw/zinc/93/76/42/561937642.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 2 515.673 5.343 1 0 KKAFLO C[C@@H]1C[N@@H+]([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568944 561937644 /nfs/dbraw/zinc/93/76/44/561937644.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 2 515.673 5.343 1 0 KKAFLO C[C@@H]1C[NH+]([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568944 561937645 /nfs/dbraw/zinc/93/76/45/561937645.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 2 515.673 5.343 1 0 KKAFLO C[C@@H]1C[NH+]([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[N@H+](CCC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568944 561937648 /nfs/dbraw/zinc/93/76/48/561937648.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 2 515.673 5.343 1 0 KKAFLO Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000028642609 561943587 /nfs/dbraw/zinc/94/35/87/561943587.db2.gz HGFXSKQDBRUULO-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000028642609 561943590 /nfs/dbraw/zinc/94/35/90/561943590.db2.gz HGFXSKQDBRUULO-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO Cc1cccc(NC(=O)N(C)Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000028642609 561943591 /nfs/dbraw/zinc/94/35/91/561943591.db2.gz HGFXSKQDBRUULO-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO COc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5ccc(OC)cc5)c3)C4)ccn2)cc1 ZINC000028707552 561950021 /nfs/dbraw/zinc/95/00/21/561950021.db2.gz IQBKNLZJPZVXMN-HNRBIFIRSA-N 1 2 506.650 5.677 1 0 KKAFLO COc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5ccc(OC)cc5)c3)C4)ccn2)cc1 ZINC000028707552 561950023 /nfs/dbraw/zinc/95/00/23/561950023.db2.gz IQBKNLZJPZVXMN-HNRBIFIRSA-N 1 2 506.650 5.677 1 0 KKAFLO Cn1c[nH+]cc1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccccc1 ZINC000028712113 561952677 /nfs/dbraw/zinc/95/26/77/561952677.db2.gz RNFHGBIVRVUGCX-AREMUKBSSA-N 1 2 517.984 5.228 1 0 KKAFLO O[C@H](c1c[nH+]cn1Cc1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000028712105 561952718 /nfs/dbraw/zinc/95/27/18/561952718.db2.gz VBZCQPDQEPHLOD-SANMLTNESA-N 1 2 501.377 5.578 1 0 KKAFLO Cn1c[nH+]c(CN2C[C@@H](N(CC3CCN(C(=O)OC(C)(C)C)CC3)S(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816089 561963959 /nfs/dbraw/zinc/96/39/59/561963959.db2.gz HGTAPIYMBOBBQP-YTTGMZPUSA-N 1 2 656.853 5.751 1 0 KKAFLO Cc1[nH+]c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCCCCCNC(=O)Oc1ccccc1F ZINC000028821695 561966637 /nfs/dbraw/zinc/96/66/37/561966637.db2.gz FROPPAHABGJTLA-UHFFFAOYSA-N 1 2 507.556 7.292 1 0 KKAFLO COc1cccc(OC)c1NC(=O)NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822150 561966682 /nfs/dbraw/zinc/96/66/82/561966682.db2.gz SHOPLBXNUOLWBL-UHFFFAOYSA-N 1 2 618.956 5.847 1 0 KKAFLO Cc1cc(C)c(NC(=O)NCC2(O)CC[NH+](Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000028822139 561966684 /nfs/dbraw/zinc/96/66/84/561966684.db2.gz UKVXOWSYJCCNAA-UHFFFAOYSA-N 1 2 600.985 6.755 1 0 KKAFLO C[NH+](C)C1CCN(C(=O)Cn2c3cc(-c4nc(=O)o[nH]4)ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)CC1 ZINC000028949694 561980755 /nfs/dbraw/zinc/98/07/55/561980755.db2.gz MYZRGWKNEUDZKZ-UHFFFAOYSA-N 1 2 562.114 5.905 1 0 KKAFLO Nc1ccccc1NC(=O)c1cc2ccc([C@H](C(=O)NCc3ccccc3)[NH+]3CCN(c4ccccc4)CC3)cc2s1 ZINC000028976411 561986826 /nfs/dbraw/zinc/98/68/26/561986826.db2.gz YJFHTOBHWTUJEF-JGCGQSQUSA-N 1 2 575.738 5.916 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1F ZINC000029126225 561998507 /nfs/dbraw/zinc/99/85/07/561998507.db2.gz BRDAZKBHNVQTRS-UHFFFAOYSA-N 1 2 558.654 5.303 1 0 KKAFLO Brc1ccc(CN(CC[NH+]2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000029346898 562016350 /nfs/dbraw/zinc/01/63/50/562016350.db2.gz DKLLAAOIWFKPBT-UHFFFAOYSA-N 1 2 571.401 6.469 1 0 KKAFLO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388536 562016737 /nfs/dbraw/zinc/01/67/37/562016737.db2.gz SDBWRECQXWSXIO-LEAFIULHSA-N 1 2 558.531 5.128 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000034026225 562038114 /nfs/dbraw/zinc/03/81/14/562038114.db2.gz KLAKGOQSJUBOMS-MUUNZHRXSA-N 1 2 504.417 6.184 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccc(F)cc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000036160589 562048523 /nfs/dbraw/zinc/04/85/23/562048523.db2.gz YHJMQEBMDVYYBG-NDKRRWIDSA-N 1 2 644.832 7.209 1 0 KKAFLO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c2ccccc21)c1ccccc1Cl ZINC000036188207 562050894 /nfs/dbraw/zinc/05/08/94/562050894.db2.gz FGBFGXKWQQAZRR-UHFFFAOYSA-N 1 2 592.477 6.964 1 0 KKAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000036330428 562055717 /nfs/dbraw/zinc/05/57/17/562055717.db2.gz PPUPMAFZXZRFPN-MGBGTMOVSA-N 1 2 530.628 6.599 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc(Nc5cccc(F)c5)n(C)c4=O)cc3F)c2cc1OC ZINC000036489091 562061104 /nfs/dbraw/zinc/06/11/04/562061104.db2.gz DRSPEQIWHFQYLU-UHFFFAOYSA-N 1 2 516.504 5.827 1 0 KKAFLO O=c1c2sc(-c3ccc(Br)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCOCC3)ccc2c1 ZINC000038149747 562066175 /nfs/dbraw/zinc/06/61/75/562066175.db2.gz BSBRXYUAVXEZQQ-UHFFFAOYSA-N 1 2 533.451 5.257 1 0 KKAFLO Cn1c2ccccc2[nH+]c1N(Cc1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000040392804 562073857 /nfs/dbraw/zinc/07/38/57/562073857.db2.gz VSANTXVSKFKREH-UHFFFAOYSA-N 1 2 506.614 5.725 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc([C@@H](NC(=O)CCSC)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000042806230 562089533 /nfs/dbraw/zinc/08/95/33/562089533.db2.gz UGUJTUUACHEEGS-HKBQPEDESA-N 1 2 614.699 5.903 1 0 KKAFLO CCC1C=C(c2cccc([C@H](COC)Cc3c(=O)c(OC)c(O)c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C=[NH+]1 ZINC000103533230 560050846 /nfs/dbraw/zinc/05/08/46/560050846.db2.gz JQHBDGBSPJDIBO-QFIPXVFZSA-N 1 2 540.592 5.901 1 0 biogenic,in-vitro KKAFLO C[C@H](Nc1cc(Nc2ccccc2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043022756 562644994 /nfs/dbraw/zinc/64/49/94/562644994.db2.gz AGTMKLSODBTDJZ-MHECFPHRSA-N 1 2 507.863 7.463 1 0 KKAFLO C[C@H](Nc1cc(Nc2ccccc2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043022756 562644995 /nfs/dbraw/zinc/64/49/95/562644995.db2.gz AGTMKLSODBTDJZ-MHECFPHRSA-N 1 2 507.863 7.463 1 0 KKAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(C(F)(F)F)cc4[nH+]3)[C@H]2SC1 ZINC000043640896 562650416 /nfs/dbraw/zinc/65/04/16/562650416.db2.gz JKJMTAOPHUTCNX-UFHPHHKVSA-N 1 2 622.625 5.427 1 0 KKAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cc(C(F)(F)F)ccc4[nH+]3)[C@H]2SC1 ZINC000043640896 562650417 /nfs/dbraw/zinc/65/04/17/562650417.db2.gz JKJMTAOPHUTCNX-UFHPHHKVSA-N 1 2 622.625 5.427 1 0 KKAFLO CN(C)[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000044430807 562657673 /nfs/dbraw/zinc/65/76/73/562657673.db2.gz FLGGLKJGPGVLGU-HXUWFJFHSA-N 1 2 578.371 7.186 1 0 KKAFLO C[C@@H](CN1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045227658 562659436 /nfs/dbraw/zinc/65/94/36/562659436.db2.gz ZOXQYQOWAXKIKN-IBGZPJMESA-N 1 2 521.587 5.738 1 0 KKAFLO C[NH+]1CCN(c2cc(NC(=O)Nc3ccc(-c4ccncc4)c(Cl)c3)ccc2Br)CC1 ZINC000045230086 562659567 /nfs/dbraw/zinc/65/95/67/562659567.db2.gz WGYZXHKGGQNYGL-UHFFFAOYSA-N 1 2 500.828 5.560 1 0 KKAFLO OCCCC1CCN(c2c3cccc(C(F)(F)F)c3[nH+]cc2C2N=NC(=S)N2c2ccccc2)CC1 ZINC000045283929 562660100 /nfs/dbraw/zinc/66/01/00/562660100.db2.gz SEESCQFJKAJHAE-UHFFFAOYSA-N 1 2 513.589 5.779 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)c(F)c3)c2cc1OC ZINC000045288733 562660242 /nfs/dbraw/zinc/66/02/42/562660242.db2.gz TYDWDHWNLYQNKP-UHFFFAOYSA-N 1 2 502.502 5.658 1 0 KKAFLO C[C@@H](CN1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045322590 562661112 /nfs/dbraw/zinc/66/11/12/562661112.db2.gz QFNWXBCCKJYIFU-IBGZPJMESA-N 1 2 521.587 5.738 1 0 KKAFLO Cc1cc2[nH+]c(N3C[C@H](C)C[C@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045387384 562662408 /nfs/dbraw/zinc/66/24/08/562662408.db2.gz KHKKQMMUVKMKGC-BGYRXZFFSA-N 1 2 503.731 7.319 1 0 KKAFLO CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(OCCO)c(N)[nH+]2)cc1 ZINC000049070693 562664083 /nfs/dbraw/zinc/66/40/83/562664083.db2.gz PDJLJWDUNPWSBA-UHFFFAOYSA-N 1 2 506.046 6.441 1 0 KKAFLO CCn1c[nH+]cc1[C@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049089113 562664376 /nfs/dbraw/zinc/66/43/76/562664376.db2.gz OVINSELQTSDKPZ-LJAQVGFWSA-N 1 2 518.444 6.667 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C ZINC000049088879 562664391 /nfs/dbraw/zinc/66/43/91/562664391.db2.gz CVFXBFRIDRAJBH-NDEPHWFRSA-N 1 2 504.417 6.184 1 0 KKAFLO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)cc4)cc3)nc2c1 ZINC000049605307 562665707 /nfs/dbraw/zinc/66/57/07/562665707.db2.gz XNNPCMPTHHEWNS-UHFFFAOYSA-N 1 2 524.550 6.786 1 0 KKAFLO FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)cc4)cc3)[nH]c2c1 ZINC000049605307 562665708 /nfs/dbraw/zinc/66/57/08/562665708.db2.gz XNNPCMPTHHEWNS-UHFFFAOYSA-N 1 2 524.550 6.786 1 0 KKAFLO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c(F)c2)CC1 ZINC000049605716 562666327 /nfs/dbraw/zinc/66/63/27/562666327.db2.gz XJOIRUKYLBUXQY-UHFFFAOYSA-N 1 2 570.496 5.935 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709021 562671144 /nfs/dbraw/zinc/67/11/44/562671144.db2.gz CJSUZJKOGMJPLX-AEBAATFDSA-N 1 2 537.103 7.700 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709021 562671145 /nfs/dbraw/zinc/67/11/45/562671145.db2.gz CJSUZJKOGMJPLX-AEBAATFDSA-N 1 2 537.103 7.700 1 0 KKAFLO O=C([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(C3CC[NH+](Cc4ccc(-c5[nH]cc[nH+]5)cc4)CC3)c2c1 ZINC000049723227 562673124 /nfs/dbraw/zinc/67/31/24/562673124.db2.gz NESJOZVLOUTZIR-UHFFFAOYSA-N 1 2 553.666 7.296 1 0 KKAFLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049757147 562675632 /nfs/dbraw/zinc/67/56/32/562675632.db2.gz HYKAZUGODDLGDY-PMERELPUSA-N 1 2 532.644 5.097 1 0 KKAFLO CC(C)N(C(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c(C(=O)c2ccccc2)c1)C(C)C ZINC000049757457 562676049 /nfs/dbraw/zinc/67/60/49/562676049.db2.gz GLWLQKDYKAXIRO-PMERELPUSA-N 1 2 555.723 5.496 1 0 KKAFLO O=C(C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1)N(c1ccccc1)c1ccccc1 ZINC000049762257 562676412 /nfs/dbraw/zinc/67/64/12/562676412.db2.gz GGKXNHJATNHIDB-WJOKGBTCSA-N 1 2 530.499 7.065 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)C[C@H](Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC ZINC000049762522 562676633 /nfs/dbraw/zinc/67/66/33/562676633.db2.gz QZFNZRUAGFFIGB-VWLOTQADSA-N 1 2 529.490 6.555 1 0 KKAFLO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(S(=O)(=O)C(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775765 562679251 /nfs/dbraw/zinc/67/92/51/562679251.db2.gz KKHPSWFQBSAOJR-LJAQVGFWSA-N 1 2 638.900 5.116 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2-c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000049785927 562684181 /nfs/dbraw/zinc/68/41/81/562684181.db2.gz SLFREABGJWDRNA-AWEZNQCLSA-N 1 2 531.926 5.438 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2-c2ccc(NC(=O)c3coc(-c4cc(C(F)(F)F)ccc4Cl)c3)cc2)cc[nH+]1 ZINC000049792088 562684319 /nfs/dbraw/zinc/68/43/19/562684319.db2.gz FZTHERNGBACIMX-INIZCTEOSA-N 1 2 582.970 6.307 1 0 KKAFLO COC1CCN(C(=O)c2ccc(-c3c[nH+]c4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cc2)CC1 ZINC000049804030 562686339 /nfs/dbraw/zinc/68/63/39/562686339.db2.gz VMVVOKCTJMCBIB-UHFFFAOYSA-N 1 2 545.005 6.104 1 0 KKAFLO COC1(c2cc(F)cc(OCCC[N@@H+]3CCc4c(c5cc(F)ccc5n4Cc4ccc(S(C)(=O)=O)cc4)C3)c2)CCOCC1 ZINC000049808418 562686661 /nfs/dbraw/zinc/68/66/61/562686661.db2.gz DMAVCPVMLQXHRY-UHFFFAOYSA-N 1 2 624.750 5.851 1 0 KKAFLO COC1(c2cc(F)cc(OCCC[N@H+]3CCc4c(c5cc(F)ccc5n4Cc4ccc(S(C)(=O)=O)cc4)C3)c2)CCOCC1 ZINC000049808418 562686662 /nfs/dbraw/zinc/68/66/62/562686662.db2.gz DMAVCPVMLQXHRY-UHFFFAOYSA-N 1 2 624.750 5.851 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(Cl)c4F)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049841106 562688017 /nfs/dbraw/zinc/68/80/17/562688017.db2.gz IDGOEPUFYGIVCK-AYWVHJORSA-N 1 2 689.030 7.474 1 0 KKAFLO CNc1ncc2c(n1)N(C)C(=O)N(c1cc(NC(=O)c3cc(-n4c[nH+]c(C)c4)cc(C(F)(F)F)c3)ccc1C)C2 ZINC000049872201 562689832 /nfs/dbraw/zinc/68/98/32/562689832.db2.gz ARPODLIKPAMHSH-UHFFFAOYSA-N 1 2 550.545 5.168 1 0 KKAFLO CC[C@@H](O)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938372 562695207 /nfs/dbraw/zinc/69/52/07/562695207.db2.gz YTNQLXVWNVGYJS-WJOKGBTCSA-N 1 2 657.783 7.237 1 0 KKAFLO CC[C@@H](O)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938372 562695208 /nfs/dbraw/zinc/69/52/08/562695208.db2.gz YTNQLXVWNVGYJS-WJOKGBTCSA-N 1 2 657.783 7.237 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938413 562695306 /nfs/dbraw/zinc/69/53/06/562695306.db2.gz IFLWLFWRVQTDET-MFMCTBQISA-N 1 2 688.096 7.394 1 0 KKAFLO CCN1CC[NH+](Cc2cc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)co2)CC1 ZINC000049946888 562695647 /nfs/dbraw/zinc/69/56/47/562695647.db2.gz DATHYHLOJYBUAS-UHFFFAOYSA-N 1 2 574.607 6.065 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[N@H+](C)Cc4ccccc4)n3c2=O)c1 ZINC000053244634 562696850 /nfs/dbraw/zinc/69/68/50/562696850.db2.gz GTJRXZUKJBDPME-UHFFFAOYSA-N 1 2 552.694 6.597 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[N@@H+](C)Cc4ccccc4)n3c2=O)c1 ZINC000053244634 562696851 /nfs/dbraw/zinc/69/68/51/562696851.db2.gz GTJRXZUKJBDPME-UHFFFAOYSA-N 1 2 552.694 6.597 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)nc(Oc3ccccc3)n2)cc1 ZINC000053276422 562697055 /nfs/dbraw/zinc/69/70/55/562697055.db2.gz PQFLFKNVNWWXMA-UHFFFAOYSA-N 1 2 572.469 7.859 1 0 KKAFLO O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CC[NH2+][C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)n1 ZINC000058582412 562699967 /nfs/dbraw/zinc/69/99/67/562699967.db2.gz OFGJQWCEMGNSDI-XIFFEERXSA-N 1 2 583.688 6.560 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC ZINC000059496609 562702074 /nfs/dbraw/zinc/70/20/74/562702074.db2.gz WCOFDHLJDPSZAB-UHFFFAOYSA-N 1 2 529.499 5.726 1 0 KKAFLO C[C@H](Nc1cc(NC[C@H]2CCCO2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000062179151 562704359 /nfs/dbraw/zinc/70/43/59/562704359.db2.gz FNRFOAUMMQZSTK-JJEOQYAHSA-N 1 2 515.883 6.310 1 0 KKAFLO C[C@H](Nc1cc(NC[C@H]2CCCO2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000062179151 562704360 /nfs/dbraw/zinc/70/43/60/562704360.db2.gz FNRFOAUMMQZSTK-JJEOQYAHSA-N 1 2 515.883 6.310 1 0 KKAFLO CCCN(c1nc(NCCc2ccccc2)nc2c1C[N@H+](Cc1ccccc1)CC2)S(=O)(=O)c1ccccc1 ZINC000064513373 562706397 /nfs/dbraw/zinc/70/63/97/562706397.db2.gz CYIHLZWDEJVEHP-UHFFFAOYSA-N 1 2 541.721 5.295 1 0 KKAFLO CCCN(c1nc(NCCc2ccccc2)nc2c1C[N@@H+](Cc1ccccc1)CC2)S(=O)(=O)c1ccccc1 ZINC000064513373 562706398 /nfs/dbraw/zinc/70/63/98/562706398.db2.gz CYIHLZWDEJVEHP-UHFFFAOYSA-N 1 2 541.721 5.295 1 0 KKAFLO Fc1ccc(-c2nnc(-c3ccc4[nH+]c(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066259812 562715327 /nfs/dbraw/zinc/71/53/27/562715327.db2.gz DFDJVGBKUAFETR-UHFFFAOYSA-N 1 2 526.369 7.364 1 0 KKAFLO Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)[nH+]c3ccc(-c4nc(-c5ccc(F)cc5)c[nH]4)cn32)cc1 ZINC000071297072 562717729 /nfs/dbraw/zinc/71/77/29/562717729.db2.gz OLNKKDQYAIGXLG-UHFFFAOYSA-N 1 2 593.435 8.391 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](c1ccc(-c2ccccc2)cc1)N1CC[NH+](CCO)CC1 ZINC000071317714 562718325 /nfs/dbraw/zinc/71/83/25/562718325.db2.gz HDFSXQPYZWEPSX-WJOKGBTCSA-N 1 2 554.090 5.528 1 0 KKAFLO COc1ccc(CNc2cc(CN3C(=O)N(c4ccc(SC(F)(F)F)cc4)C(=O)C3(C)C)cc[nH+]2)cc1 ZINC000071318588 562718570 /nfs/dbraw/zinc/71/85/70/562718570.db2.gz QBAAIKKMCWIFNY-UHFFFAOYSA-N 1 2 530.572 6.062 1 0 KKAFLO CCCCNc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)cc(C)[nH+]1 ZINC000071329229 562718843 /nfs/dbraw/zinc/71/88/43/562718843.db2.gz MDEJWLSBYWZEKH-UHFFFAOYSA-N 1 2 630.618 5.682 1 0 KKAFLO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106809 562721145 /nfs/dbraw/zinc/72/11/45/562721145.db2.gz GIFCMCVWGWADSC-XMMPIXPASA-N 1 2 564.517 5.067 1 0 KKAFLO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072109715 562721612 /nfs/dbraw/zinc/72/16/12/562721612.db2.gz WOBBSLQAZDOKIQ-UHFFFAOYSA-N 1 2 668.726 5.917 1 0 KKAFLO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072109715 562721613 /nfs/dbraw/zinc/72/16/13/562721613.db2.gz WOBBSLQAZDOKIQ-UHFFFAOYSA-N 1 2 668.726 5.917 1 0 KKAFLO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072115259 562722927 /nfs/dbraw/zinc/72/29/27/562722927.db2.gz UOZNFBXDMBMEMM-GGHRDNCRSA-N 1 2 631.486 5.364 1 0 KKAFLO CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147712 562729834 /nfs/dbraw/zinc/72/98/34/562729834.db2.gz YPXANVFPIODKKT-IZLXSDGUSA-N 1 2 675.053 7.153 1 0 KKAFLO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000072147721 562729837 /nfs/dbraw/zinc/72/98/37/562729837.db2.gz XYLTVVBRHCPAHD-FTJBHMTQSA-N 1 2 676.041 6.548 1 0 KKAFLO COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147713 562729838 /nfs/dbraw/zinc/72/98/38/562729838.db2.gz DXIHHYGCYWJWCF-WDYNHAJCSA-N 1 2 689.080 7.196 1 0 KKAFLO COC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 ZINC000072178563 562732116 /nfs/dbraw/zinc/73/21/16/562732116.db2.gz WBFAWNBDGHAAME-LJAQVGFWSA-N 1 2 506.606 5.037 1 0 KKAFLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 ZINC000072179263 562732283 /nfs/dbraw/zinc/73/22/83/562732283.db2.gz YIANAMOJARWNSO-SSEXGKCCSA-N 1 2 505.618 5.642 1 0 KKAFLO Cc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000073161046 562734066 /nfs/dbraw/zinc/73/40/66/562734066.db2.gz OSCPGWPTNVWTPZ-UHFFFAOYSA-N 1 2 616.489 6.739 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073164087 562734276 /nfs/dbraw/zinc/73/42/76/562734276.db2.gz ILHXPMDIPFHHAC-RUZDIDTESA-N 1 2 548.552 5.361 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000073197006 562735216 /nfs/dbraw/zinc/73/52/16/562735216.db2.gz MBNQFJSDFYYFJO-HHHXNRCGSA-N 1 2 586.947 6.154 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cn2)c(Cl)c1 ZINC000073197728 562735405 /nfs/dbraw/zinc/73/54/05/562735405.db2.gz VPNALTOFVFTQPT-HHHXNRCGSA-N 1 2 597.543 5.267 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cccc(Cl)c1)C1CC1 ZINC000073198293 562735637 /nfs/dbraw/zinc/73/56/37/562735637.db2.gz IWOYSDWXQAHANA-MUUNZHRXSA-N 1 2 552.502 5.501 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000073405583 562738667 /nfs/dbraw/zinc/73/86/67/562738667.db2.gz NJBVXIPBJYPURH-RUZDIDTESA-N 1 2 606.472 5.918 1 0 KKAFLO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(C[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082140365 562739435 /nfs/dbraw/zinc/73/94/35/562739435.db2.gz SHGPQTKUSSBKSB-SSEXGKCCSA-N 1 2 645.578 5.856 1 0 KKAFLO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(C[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082140369 562739462 /nfs/dbraw/zinc/73/94/62/562739462.db2.gz AFVLZNVYPWZROC-MUUNZHRXSA-N 1 2 665.103 5.620 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000082150131 562739742 /nfs/dbraw/zinc/73/97/42/562739742.db2.gz DDFUESDVCPICRZ-SSEXGKCCSA-N 1 2 692.040 5.121 1 0 KKAFLO CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082150659 562739850 /nfs/dbraw/zinc/73/98/50/562739850.db2.gz ITPZNCLYJWWAMA-GDLZYMKVSA-N 1 2 690.024 5.765 1 0 KKAFLO CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082150589 562739877 /nfs/dbraw/zinc/73/98/77/562739877.db2.gz JVMYPVJLRRYFDN-GDLZYMKVSA-N 1 2 673.132 5.163 1 0 KKAFLO FC(F)(F)c1ccccc1[C@H]1CCCN(c2cc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)nc[nH+]2)C1 ZINC000082151445 562739889 /nfs/dbraw/zinc/73/98/89/562739889.db2.gz SOPHCCVAJIMVFH-HJPURHCSSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1ccccc1[C@H]1CCCN(c2cc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH+]cn2)C1 ZINC000082151445 562739890 /nfs/dbraw/zinc/73/98/90/562739890.db2.gz SOPHCCVAJIMVFH-HJPURHCSSA-N 1 2 561.439 7.404 1 0 KKAFLO O=C(Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1)NC1CC1 ZINC000082155834 562740638 /nfs/dbraw/zinc/74/06/38/562740638.db2.gz PKBWJGCWECKSCQ-SSEXGKCCSA-N 1 2 669.144 5.086 1 0 KKAFLO Nc1cc(-c2cccc(-c3ccccc3)c2)c[nH+]c1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082157074 562740782 /nfs/dbraw/zinc/74/07/82/562740782.db2.gz RVYBFSBFZMKPKF-SANMLTNESA-N 1 2 500.433 7.522 1 0 KKAFLO COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3cccc4ccccc43)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084596717 562743829 /nfs/dbraw/zinc/74/38/29/562743829.db2.gz UNYABZFJVRGVTH-UHFFFAOYSA-N 1 2 520.515 5.197 1 0 KKAFLO Cc1cn2c(-c3cnn(CC(=O)Nc4cc(F)cc(F)c4)c3)cnc2c(Nc2cc(C[NH+]3CCCCC3)ns2)n1 ZINC000084632796 562745595 /nfs/dbraw/zinc/74/55/95/562745595.db2.gz XYVHEZGROKPBMY-UHFFFAOYSA-N 1 2 563.638 5.004 1 0 KKAFLO CCOC(=O)c1c(C)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)nc1-c1ccccc1 ZINC000084633869 562745776 /nfs/dbraw/zinc/74/57/76/562745776.db2.gz JJFAEPZVEXOEIH-UHFFFAOYSA-N 1 2 509.997 7.318 1 0 KKAFLO COc1cc(-c2cn(CC(=O)N([C@H](C)c3ccccc3)[C@H](C)c3ccccc3)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084635098 562746099 /nfs/dbraw/zinc/74/60/99/562746099.db2.gz OPQUDVDBAJCIEQ-DNQXCXABSA-N 1 2 520.637 5.799 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@@H]4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654109 562747164 /nfs/dbraw/zinc/74/71/64/562747164.db2.gz GFMJATLKGABDIJ-IBGZPJMESA-N 1 2 501.514 5.175 1 0 KKAFLO C[C@H](Oc1cc(-c2cc(-c3ccc(C[NH+]4CCOCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655188 562747402 /nfs/dbraw/zinc/74/74/02/562747402.db2.gz SITZGFMKDKYGPO-SFHVURJKSA-N 1 2 582.648 6.149 1 0 KKAFLO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc(OCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)c(N2CC[NH2+]CC2)c1 ZINC000095544848 562757970 /nfs/dbraw/zinc/75/79/70/562757970.db2.gz AJFCFFCXDVYDDM-UHFFFAOYSA-N 1 2 798.497 7.991 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC2(Cc3nn[nH]n3)CC2)c1 ZINC000095548041 562759068 /nfs/dbraw/zinc/75/90/68/562759068.db2.gz UQAYVLAYSNHNRH-GPOMZPHUSA-N 1 2 777.794 7.138 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000095562781 562763788 /nfs/dbraw/zinc/76/37/88/562763788.db2.gz BKECZKZRGJZUID-UHFFFAOYSA-N 1 2 576.604 6.780 1 0 KKAFLO O=C(Nc1ccc(F)cc1)[C@@H](c1ccnc2ccccc21)[NH+]1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095570683 562768366 /nfs/dbraw/zinc/76/83/66/562768366.db2.gz RLCJPUHAYGRRKA-RUZDIDTESA-N 1 2 509.507 5.290 3 0 KKAFLO O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2C2CC[NH2+]CC2)cc1F ZINC000095584282 562773225 /nfs/dbraw/zinc/77/32/25/562773225.db2.gz YRXWVDILLKORDJ-UHFFFAOYSA-N 1 2 547.933 6.092 1 0 KKAFLO O=S(=O)(Nc1ncc(Cl)s1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2C[NH2+]C2)cc1F ZINC000095585254 562773514 /nfs/dbraw/zinc/77/35/14/562773514.db2.gz PEIVKJGXAMQHJS-UHFFFAOYSA-N 1 2 508.811 5.522 1 0 KKAFLO COc1ccc2c3ccnc(C)c3n(CCCCCCCn3c4cc(OC)ccc4c4cc[nH+]c(C)c43)c2c1 ZINC000095593265 562776208 /nfs/dbraw/zinc/77/62/08/562776208.db2.gz ROTZBOZCUWSYMF-UHFFFAOYSA-N 1 2 520.677 7.977 1 0 KKAFLO COc1ccc2c3ccnc(C)c3n(CCCCCCn3c4cc(OC)ccc4c4cc[nH+]c(C)c43)c2c1 ZINC000095593917 562776348 /nfs/dbraw/zinc/77/63/48/562776348.db2.gz QHLWPKPMAVWKLH-UHFFFAOYSA-N 1 2 506.650 7.587 1 0 KKAFLO O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCC[NH+]4CCOCC4)cc2C3=O)ccc1F)c1cccs1 ZINC000095595575 562776766 /nfs/dbraw/zinc/77/67/66/562776766.db2.gz DKYMKDGTMOLHHK-UHFFFAOYSA-N 1 2 571.674 5.924 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599301 562777943 /nfs/dbraw/zinc/77/79/43/562777943.db2.gz NLNOREAGNASAOL-FVCFNFBRSA-N 1 2 643.872 5.476 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599301 562777944 /nfs/dbraw/zinc/77/79/44/562777944.db2.gz NLNOREAGNASAOL-FVCFNFBRSA-N 1 2 643.872 5.476 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095601308 562779534 /nfs/dbraw/zinc/77/95/34/562779534.db2.gz CBAAPWVHONFTKW-DWLUSBQNSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095601308 562779535 /nfs/dbraw/zinc/77/95/35/562779535.db2.gz CBAAPWVHONFTKW-DWLUSBQNSA-N 1 2 724.843 6.039 1 0 KKAFLO COc1ccc(Cc2c(-c3cccc(Br)c3)[nH+]c3c(C)cc(Br)cn23)c(C)c1 ZINC000095602376 562780083 /nfs/dbraw/zinc/78/00/83/562780083.db2.gz DEBFOWLOIXWCJW-UHFFFAOYSA-N 1 2 500.234 6.743 3 0 KKAFLO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603045 562780261 /nfs/dbraw/zinc/78/02/61/562780261.db2.gz UIKXZKCHSBRXDR-ZIZQKJAQSA-N 1 2 705.840 6.434 1 0 KKAFLO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603045 562780262 /nfs/dbraw/zinc/78/02/62/562780262.db2.gz UIKXZKCHSBRXDR-ZIZQKJAQSA-N 1 2 705.840 6.434 1 0 KKAFLO C[C@H](OC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC[NH+]2CCOCC2)c1)C(C)(C)C ZINC000095604728 562781144 /nfs/dbraw/zinc/78/11/44/562781144.db2.gz DWRZEWHJFCYXOR-MHZLTWQESA-N 1 2 571.762 6.666 1 0 KKAFLO CS(=O)(=O)CCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc54)c(Cl)c3)nc[nH+]c2NCC1 ZINC000095605290 562781475 /nfs/dbraw/zinc/78/14/75/562781475.db2.gz BDLBQHQWRICEGB-UHFFFAOYSA-N 1 2 570.096 5.240 1 0 KKAFLO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000095606767 562782427 /nfs/dbraw/zinc/78/24/27/562782427.db2.gz QHMRYQPPHBYFRG-CDBJLFHKSA-N 1 2 836.909 5.298 1 0 KKAFLO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000095606767 562782428 /nfs/dbraw/zinc/78/24/28/562782428.db2.gz QHMRYQPPHBYFRG-CDBJLFHKSA-N 1 2 836.909 5.298 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3o2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000095612837 562785859 /nfs/dbraw/zinc/78/58/59/562785859.db2.gz JBMUJPIOBHXTBM-KCMFSSCLSA-N 1 2 825.285 5.257 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3o2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000095612837 562785860 /nfs/dbraw/zinc/78/58/60/562785860.db2.gz JBMUJPIOBHXTBM-KCMFSSCLSA-N 1 2 825.285 5.257 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000095696497 562788510 /nfs/dbraw/zinc/78/85/10/562788510.db2.gz WADCIPDRJSUHPR-UHFFFAOYSA-N 1 2 620.619 7.588 1 0 KKAFLO CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CC[NH+](Cc3ccccc3)CC2)c2ncnn21 ZINC000096178367 562792655 /nfs/dbraw/zinc/79/26/55/562792655.db2.gz TZWZXMGFDAZSMG-UHFFFAOYSA-N 1 2 601.711 5.282 1 0 KKAFLO CS(=O)(=O)Nc1ccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)nc2c1 ZINC000096258268 562792884 /nfs/dbraw/zinc/79/28/84/562792884.db2.gz WIVGEPBMNUBYFN-UHFFFAOYSA-N 1 2 593.775 5.056 1 0 KKAFLO Cc1cc(Cn2cc[nH+]c2[C@H](Cc2cc3c[nH]nc3c(C)c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc(Cl)n1 ZINC000096284743 562795315 /nfs/dbraw/zinc/79/53/15/562795315.db2.gz VPVMAWOPPJSTCZ-LJAQVGFWSA-N 1 2 638.176 5.978 1 0 KKAFLO Cc1cc(Cn2ccnc2[C@H](Cc2cc3c[nH]nc3c(C)c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc[nH+]1 ZINC000096284745 562795339 /nfs/dbraw/zinc/79/53/39/562795339.db2.gz OTGFQNZIUQTFIQ-PMERELPUSA-N 1 2 603.731 5.325 1 0 KKAFLO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1 ZINC000096902486 562797455 /nfs/dbraw/zinc/79/74/55/562797455.db2.gz CUJHJOKOEBDUSA-NRFANRHFSA-N 1 2 510.034 5.618 1 0 KKAFLO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1 ZINC000096902486 562797456 /nfs/dbraw/zinc/79/74/56/562797456.db2.gz CUJHJOKOEBDUSA-NRFANRHFSA-N 1 2 510.034 5.618 1 0 KKAFLO CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)N1C(=O)N1CC[NH+](CCO)CC1 ZINC000096905775 562798632 /nfs/dbraw/zinc/79/86/32/562798632.db2.gz PVRYEWOXWGDQHA-VMPREFPWSA-N 1 2 686.445 5.894 1 0 KKAFLO COc1ccc([NH2+]CCC[C@](C)(O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)cc1 ZINC000096907056 562798962 /nfs/dbraw/zinc/79/89/62/562798962.db2.gz OMDZCSXCBFOZTO-RAMDELSOSA-N 1 2 541.817 6.655 1 0 KKAFLO CCCCCCNC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913888 562800470 /nfs/dbraw/zinc/80/04/70/562800470.db2.gz MZKVICPGEUHIAR-SSEXGKCCSA-N 1 2 632.802 5.881 1 0 KKAFLO CCCCCCNC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913888 562800471 /nfs/dbraw/zinc/80/04/71/562800471.db2.gz MZKVICPGEUHIAR-SSEXGKCCSA-N 1 2 632.802 5.881 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@H](O)Cc1ccccc1 ZINC000096926977 562802488 /nfs/dbraw/zinc/80/24/88/562802488.db2.gz YZSSHKBZRWBJSW-YVTJHSAPSA-N 1 2 644.816 5.785 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@H](O)Cc1ccccc1 ZINC000096926977 562802489 /nfs/dbraw/zinc/80/24/89/562802489.db2.gz YZSSHKBZRWBJSW-YVTJHSAPSA-N 1 2 644.816 5.785 1 0 KKAFLO CS(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1 ZINC000096937291 562804160 /nfs/dbraw/zinc/80/41/60/562804160.db2.gz CQCHWVJIDPPZIH-UHFFFAOYSA-N 1 2 622.122 6.082 1 0 KKAFLO COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3ccccc32)cc1F ZINC000096937485 562804218 /nfs/dbraw/zinc/80/42/18/562804218.db2.gz ZVJKFAZLWIPIPF-WJOKGBTCSA-N 1 2 518.629 5.129 1 0 KKAFLO Nc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(Cl)c(-c2ccccc2N2CCCC2)c1 ZINC000096940284 562804939 /nfs/dbraw/zinc/80/49/39/562804939.db2.gz AHJZJQWBHHVJLV-UHFFFAOYSA-N 1 2 534.107 7.713 1 0 KKAFLO Oc1ccccc1-c1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000096940305 562804958 /nfs/dbraw/zinc/80/49/58/562804958.db2.gz DLWUHGGLBJOGDJ-UHFFFAOYSA-N 1 2 564.714 8.860 1 0 KKAFLO Cc1sc2nc3c(c(NCCCCNc4c5c(C)c(C)sc5[nH+]c5c4CCCC5)c2c1C)CCCC3 ZINC000098084169 562805600 /nfs/dbraw/zinc/80/56/00/562805600.db2.gz FCHGCBLWPWESAA-UHFFFAOYSA-N 1 2 518.796 8.201 1 0 KKAFLO C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)[C@@H]1[NH2+]C=C(CCc2ccccc2)S1 ZINC000100645821 562807237 /nfs/dbraw/zinc/80/72/37/562807237.db2.gz IQSWDZUJSSCOIV-MYTOGSMLSA-N 1 2 541.761 7.157 1 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3cccc(C4=Nc5cnn(Cc6ccccc6)c5NC(=O)C4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000102899902 562813470 /nfs/dbraw/zinc/81/34/70/562813470.db2.gz JLTCWXGRPBNDMC-UHFFFAOYSA-N 1 2 583.574 6.160 1 0 KKAFLO COc1ccc(COCc2cc3c(-c4ccc(-n5c[nH+]c(C)c5)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1 ZINC000102945769 562813683 /nfs/dbraw/zinc/81/36/83/562813683.db2.gz FEMCURPRORMOPU-QHCPKHFHSA-N 1 2 577.660 7.026 1 0 KKAFLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 ZINC000103227840 562817939 /nfs/dbraw/zinc/81/79/39/562817939.db2.gz JQUXSIDEHJSXQK-MHZLTWQESA-N 1 2 508.682 5.466 1 0 KKAFLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 ZINC000103227836 562817971 /nfs/dbraw/zinc/81/79/71/562817971.db2.gz JQUXSIDEHJSXQK-HHHXNRCGSA-N 1 2 508.682 5.466 1 0 KKAFLO CCOc1ccccc1C1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[NH2+]1 ZINC000103255251 562820732 /nfs/dbraw/zinc/82/07/32/562820732.db2.gz ZPDOKJLMEDEGBM-VPUSJEBWSA-N 1 2 524.448 5.833 1 0 KKAFLO Cc1ccc(C[NH+]2CCC(=O)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264931 562821999 /nfs/dbraw/zinc/82/19/99/562821999.db2.gz FXSNJIQJTMZHGB-UHFFFAOYSA-N 1 2 589.618 6.820 1 0 KKAFLO O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(NCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103271867 562823047 /nfs/dbraw/zinc/82/30/47/562823047.db2.gz DHCMUIWDDNKCSB-GDLZYMKVSA-N 1 2 597.572 5.403 1 0 KKAFLO Cc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)cc[nH+]1 ZINC000103273477 562823121 /nfs/dbraw/zinc/82/31/21/562823121.db2.gz PEJUJRISYADBIN-MGBGTMOVSA-N 1 2 519.689 7.329 1 0 KKAFLO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000114037814 562827228 /nfs/dbraw/zinc/82/72/28/562827228.db2.gz CJLPKWRRMUIYHI-WIYYLYMNSA-N 1 2 527.496 5.945 1 0 KKAFLO CC(=O)c1cnc2cc(C)c(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000114038422 562827345 /nfs/dbraw/zinc/82/73/45/562827345.db2.gz BSUFGKZXTSIRRD-UHFFFAOYSA-N 1 2 520.008 5.801 1 0 KKAFLO Cc1c(-c2cccc3[nH]ccc32)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118094621 562830164 /nfs/dbraw/zinc/83/01/64/562830164.db2.gz MXGORDACDVYALE-UHFFFAOYSA-N 1 2 525.603 6.631 1 0 KKAFLO COc1ccc(CC2CCSCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000138460476 562831903 /nfs/dbraw/zinc/83/19/03/562831903.db2.gz KPHYOTMROGBMCV-UHFFFAOYSA-N 1 2 577.776 5.930 1 0 KKAFLO COc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000138460587 562831950 /nfs/dbraw/zinc/83/19/50/562831950.db2.gz QICASWFXUGIMRP-UHFFFAOYSA-N 1 2 559.736 6.367 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[C@H](O)C6)nc5)c4)nc(C)[nH+]3)cc12 ZINC000141987674 562833884 /nfs/dbraw/zinc/83/38/84/562833884.db2.gz FLKRGYRUFNGPPG-DFBJGRDBSA-N 1 2 506.610 5.708 1 0 KKAFLO C[C@@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000142003569 562833898 /nfs/dbraw/zinc/83/38/98/562833898.db2.gz BSIUBDGVJIJBLB-RPBOFIJWSA-N 1 2 563.754 7.715 1 0 KKAFLO O=C(OC[C@H](C1CCCCC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000146381999 562838530 /nfs/dbraw/zinc/83/85/30/562838530.db2.gz ZLDADYIDLCGGQR-KXQOOQHDSA-N 1 2 637.828 8.683 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147662933 562839478 /nfs/dbraw/zinc/83/94/78/562839478.db2.gz MYYGEJVPSZKSFV-SDHOMARFSA-N 1 2 525.774 7.769 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N[C@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000148329655 562841064 /nfs/dbraw/zinc/84/10/64/562841064.db2.gz YXZOOHZBYSCFKD-FQEVSTJZSA-N 1 2 589.582 5.438 1 0 KKAFLO Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cccc(C(F)(F)F)c6)cc5[nH]4)c3N)cc2[nH+]1 ZINC000149883872 562842791 /nfs/dbraw/zinc/84/27/91/562842791.db2.gz QRNIDLJCQJRXOX-UHFFFAOYSA-N 1 2 500.484 6.037 1 0 KKAFLO Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5ccc(-c6cccc(C(F)(F)F)c6)cc5[nH]4)c3N)ccc2[nH+]1 ZINC000149883872 562842792 /nfs/dbraw/zinc/84/27/92/562842792.db2.gz QRNIDLJCQJRXOX-UHFFFAOYSA-N 1 2 500.484 6.037 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH+]2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)CN(Cc2ccccc2)C(=O)OCc2cncs2)cs1 ZINC000150607391 562848102 /nfs/dbraw/zinc/84/81/02/562848102.db2.gz HPCUDPZRFYSGPP-VBTAUBHQSA-N 1 2 747.988 5.522 1 0 KKAFLO Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)Cn5cc[nH+]c5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000162964655 562849307 /nfs/dbraw/zinc/84/93/07/562849307.db2.gz QTTDNMSUFVRJHP-UHFFFAOYSA-N 1 2 685.855 6.029 1 0 KKAFLO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(O)cc5C[NH+]5CCOCC5)c4)CC3)cn21 ZINC000167446806 562850839 /nfs/dbraw/zinc/85/08/39/562850839.db2.gz OTNQYGNDXUAMEA-ISILISOKSA-N 1 2 678.765 5.645 1 0 KKAFLO CCCCNC(=S)NS(=O)(=O)c1ccc(N2[NH+]=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000169339733 562860516 /nfs/dbraw/zinc/86/05/16/562860516.db2.gz GKATZDZIOXDRAA-HHHXNRCGSA-N 1 2 535.739 5.061 1 0 KKAFLO CCOC(=O)c1ccccc1Oc1cnc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1Nc1cc[nH+]cc1C(=O)OCC ZINC000169341686 562860901 /nfs/dbraw/zinc/86/09/01/562860901.db2.gz MUWIFASJZRARST-UHFFFAOYSA-N 1 2 622.657 6.301 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccoc3)c2)cc1F ZINC000169344654 562861449 /nfs/dbraw/zinc/86/14/49/562861449.db2.gz VYGZVRWOGVFSLZ-UHFFFAOYSA-N 1 2 646.741 6.252 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CC(F)(F)C3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700881 562867737 /nfs/dbraw/zinc/86/77/37/562867737.db2.gz WROFUPVHFCAUPE-UHFFFAOYSA-N 1 2 689.557 7.592 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@H]3CO4)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701004 562867823 /nfs/dbraw/zinc/86/78/23/562867823.db2.gz NUXGXJZLSOQJAB-SFTDATJTSA-N 1 2 689.566 7.535 1 0 KKAFLO Cn1c2cc(N3CCN[C@@H](C(F)(F)F)C3)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701006 562867857 /nfs/dbraw/zinc/86/78/57/562867857.db2.gz SYJXGDRKYGHRHK-RUZDIDTESA-N 1 2 744.568 7.898 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701059 562867947 /nfs/dbraw/zinc/86/79/47/562867947.db2.gz XBYSVDFQLHARSL-GOSISDBHSA-N 1 2 695.545 7.985 1 0 KKAFLO CCNC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F ZINC000169703121 562868640 /nfs/dbraw/zinc/86/86/40/562868640.db2.gz YDYISUJWVZERIS-UHFFFAOYSA-N 1 2 556.441 5.680 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703106 562868648 /nfs/dbraw/zinc/86/86/48/562868648.db2.gz FONNGEWOOAQMFQ-UHFFFAOYSA-N 1 2 624.438 6.612 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NCC3CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703114 562868657 /nfs/dbraw/zinc/86/86/57/562868657.db2.gz MLQDRBUPGYFZIZ-UHFFFAOYSA-N 1 2 582.479 6.070 1 0 KKAFLO O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4nnc(Nc5cccnc5)s4)ccn32)c1 ZINC000169704731 562869109 /nfs/dbraw/zinc/86/91/09/562869109.db2.gz BPAJYHCGDYVNDI-UHFFFAOYSA-N 1 2 510.505 5.342 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200482814 562873354 /nfs/dbraw/zinc/87/33/54/562873354.db2.gz CZSVRXPBPZIVEN-PYPNIHNUSA-N 1 2 788.053 6.095 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(C[NH+]2CCCC2)nc1)C1CC1 ZINC000203987843 562874264 /nfs/dbraw/zinc/87/42/64/562874264.db2.gz MFYQVJKGQJCCIX-UHFFFAOYSA-N 1 2 517.004 6.727 1 0 KKAFLO Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5cc(C6=C(C(F)(F)F)CCC=C6)ccc5[nH]4)c3N)cc2[nH+]1 ZINC000205252276 562875036 /nfs/dbraw/zinc/87/50/36/562875036.db2.gz ANBUERYCJLDFHA-UHFFFAOYSA-N 1 2 502.500 6.017 1 0 KKAFLO Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5cc(C6=C(C(F)(F)F)CCC=C6)ccc5[nH]4)c3N)ccc2[nH+]1 ZINC000205252276 562875037 /nfs/dbraw/zinc/87/50/37/562875037.db2.gz ANBUERYCJLDFHA-UHFFFAOYSA-N 1 2 502.500 6.017 1 0 KKAFLO Cn1cc(-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c2ccc(S(=O)(=O)Nc3cscn3)cc21 ZINC000205428685 562875334 /nfs/dbraw/zinc/87/53/34/562875334.db2.gz AEPILOKWECVEFA-UHFFFAOYSA-N 1 2 518.586 5.498 1 0 KKAFLO Cc1ccc(Cl)cc1N1C(=O)c2nn(C(=O)N3CC[NH+](C)CC3)c(C(C)C)c2[C@H]1c1ccc(Cl)cc1C ZINC000206099994 562876258 /nfs/dbraw/zinc/87/62/58/562876258.db2.gz MVJPAODGJWVCNG-AREMUKBSSA-N 1 2 540.495 5.895 1 0 KKAFLO C[NH+]1CCN(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc32)CC1 ZINC000206149368 562876370 /nfs/dbraw/zinc/87/63/70/562876370.db2.gz HQTBVKMBDDECNF-UHFFFAOYSA-N 1 2 532.613 5.535 1 0 KKAFLO C[NH+]1CC(n2nccc2-c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc32)C1 ZINC000215496035 562877363 /nfs/dbraw/zinc/87/73/63/562877363.db2.gz PDLLWGDFTHJSJG-UHFFFAOYSA-N 1 2 569.634 6.133 1 0 KKAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1 ZINC000220423579 562878466 /nfs/dbraw/zinc/87/84/66/562878466.db2.gz KWYZQHDRRWRLML-AREMUKBSSA-N 1 2 523.662 5.423 1 0 KKAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1 ZINC000220423579 562878467 /nfs/dbraw/zinc/87/84/67/562878467.db2.gz KWYZQHDRRWRLML-AREMUKBSSA-N 1 2 523.662 5.423 1 0 KKAFLO 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](NC(=O)OC)C(C)C)[nH+]4)CC3)cc2)c[nH]1)c1ccccc1 ZINC000299823670 562882976 /nfs/dbraw/zinc/88/29/76/562882976.db2.gz SASAMODJLMAVOB-NSYCGXBDSA-N 1 2 778.955 7.046 1 0 KKAFLO C[C@H](CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299829375 562884810 /nfs/dbraw/zinc/88/48/10/562884810.db2.gz JPUOPFUJFBNFEC-WHFLTRJFSA-N 1 2 661.371 7.981 1 0 KKAFLO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@@H](c2ccc(Cl)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000299836157 562887016 /nfs/dbraw/zinc/88/70/16/562887016.db2.gz MTAAFNJDLQWXSE-KKVCJECGSA-N 1 2 611.949 5.038 1 0 KKAFLO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000299836157 562887017 /nfs/dbraw/zinc/88/70/17/562887017.db2.gz MTAAFNJDLQWXSE-KKVCJECGSA-N 1 2 611.949 5.038 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc3ccoc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299838233 562887795 /nfs/dbraw/zinc/88/77/95/562887795.db2.gz MOXFVQIGUMTZTC-UHFFFAOYSA-N 1 2 603.601 6.925 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)[C@H](C)CC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000299849075 562890443 /nfs/dbraw/zinc/89/04/43/562890443.db2.gz PLNDZQXQMZEUDA-RBZQAINGSA-N 1 2 543.814 7.679 1 0 KKAFLO CCCOc1ccc(C[C@H]2c3cc(OCCC)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088045 562897258 /nfs/dbraw/zinc/89/72/58/562897258.db2.gz NNWDINKTUBHNLR-NDEPHWFRSA-N 1 2 546.708 5.740 1 0 KKAFLO CCCOc1ccc(C[C@H]2c3cc(OCCC)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088045 562897259 /nfs/dbraw/zinc/89/72/59/562897259.db2.gz NNWDINKTUBHNLR-NDEPHWFRSA-N 1 2 546.708 5.740 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4cnnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473093478 562897778 /nfs/dbraw/zinc/89/77/78/562897778.db2.gz UNZSOQJHOILMQV-UHFFFAOYSA-N 1 2 618.134 6.348 1 0 KKAFLO CC[N@H+](CCCCCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117294 562899165 /nfs/dbraw/zinc/89/91/65/562899165.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 1 2 561.675 6.653 1 0 KKAFLO CC[N@@H+](CCCCCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1)Cc1ccccc1OC ZINC000473117294 562899166 /nfs/dbraw/zinc/89/91/66/562899166.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 1 2 561.675 6.653 1 0 KKAFLO COc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)cc(C(F)(F)F)c1 ZINC000473148551 562901453 /nfs/dbraw/zinc/90/14/53/562901453.db2.gz GJVUMGFXWNIEMG-UHFFFAOYSA-N 1 2 582.579 5.995 1 0 KKAFLO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CCC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc32)CC1 ZINC000473194372 562903603 /nfs/dbraw/zinc/90/36/03/562903603.db2.gz AVLQTHYBTUBOJG-RUCARUNLSA-N 1 2 511.041 5.732 1 0 KKAFLO [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CCC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc43)cn2)C1 ZINC000473194889 562903664 /nfs/dbraw/zinc/90/36/64/562903664.db2.gz UPXHQHCSDYKVHA-SFHVURJKSA-N 1 2 547.034 5.266 1 0 KKAFLO CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473194498 562903676 /nfs/dbraw/zinc/90/36/76/562903676.db2.gz PIHFZOHKQXZICG-JCNLHEQBSA-N 1 2 501.458 5.856 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N1CCC(CC[NH+]2CCCC2)CC1 ZINC000473213527 562903935 /nfs/dbraw/zinc/90/39/35/562903935.db2.gz YXERPWXNTCMSTD-UHFFFAOYSA-N 1 2 513.469 6.214 1 0 KKAFLO Clc1ccc2c(NCCCN3CC[NH+](CCCN(CC4CC4)N4CCCCCC4)CC3)cc[nH+]c2c1 ZINC000473235073 562904595 /nfs/dbraw/zinc/90/45/95/562904595.db2.gz JQTIXNOGQFFIIJ-UHFFFAOYSA-N 1 2 513.174 5.201 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(NCC(=O)CO)nc5)c4)nc(C)[nH+]3)cc12 ZINC000653668915 562906101 /nfs/dbraw/zinc/90/61/01/562906101.db2.gz GSMHUJCNMZWLGJ-SFHVURJKSA-N 1 2 508.582 5.110 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccc(F)cc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653709698 562908101 /nfs/dbraw/zinc/90/81/01/562908101.db2.gz LZNURXSBVXEBHU-UHFFFAOYSA-N 1 2 616.701 5.890 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)Nc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653712778 562908204 /nfs/dbraw/zinc/90/82/04/562908204.db2.gz IJMNERSYDWVIIM-UHFFFAOYSA-N 1 2 570.657 6.030 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C(C)C)[NH+]=C3N=CNN3[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc1 ZINC000653765602 562911612 /nfs/dbraw/zinc/91/16/12/562911612.db2.gz MKKNMQKKIGVAEU-MUUNZHRXSA-N 1 2 534.599 5.190 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1Oc1ccc(F)cc1)Cc1ccccc1Oc1ccc(F)cc1)C(=O)[O-] ZINC000653767923 562911718 /nfs/dbraw/zinc/91/17/18/562911718.db2.gz SDWJEPIBURHXPF-MHZLTWQESA-N 1 2 518.560 6.354 1 0 KKAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCN1CCCCCCCCNC(N)=[NH+]C1=O ZINC000653827956 562914472 /nfs/dbraw/zinc/91/44/72/562914472.db2.gz YYLHIWIDAVPYIE-UHFFFAOYSA-N 1 2 572.820 5.415 1 0 KKAFLO O=C(Nc1ccc(Br)cc1)Nc1ccc(COc2ccc3oc(NCC[NH+]4CCOCC4)nc3c2)cc1 ZINC000653830170 562914513 /nfs/dbraw/zinc/91/45/13/562914513.db2.gz WJXMCEOWPUEKBL-UHFFFAOYSA-N 1 2 566.456 5.557 1 0 KKAFLO O=C(Nc1ccc(Br)cc1)Nc1ccc(COc2ccc3nc(NCC[NH+]4CCOCC4)oc3c2)cc1 ZINC000653830155 562914551 /nfs/dbraw/zinc/91/45/51/562914551.db2.gz QHSIQLCHVNVHEA-UHFFFAOYSA-N 1 2 566.456 5.557 1 0 KKAFLO C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)OCc4ccc(Cl)cc4)c(-c4ccc(F)cc4)n(C4CC4)c3c2F)CC1 ZINC000653899315 562917471 /nfs/dbraw/zinc/91/74/71/562917471.db2.gz VBRPYIOKSKAYJP-UHFFFAOYSA-N 1 2 582.022 6.183 1 0 KKAFLO Cc1c(C(=O)OCc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc2n1Cc1ccc(Cl)cc1 ZINC000653899301 562917476 /nfs/dbraw/zinc/91/74/76/562917476.db2.gz QRMNZSCSVRJUCR-UHFFFAOYSA-N 1 2 568.476 5.913 1 0 KKAFLO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H]3c5cc[nH+]c(N)c5CC[C@@H]3N3C(=O)C=CC3=O)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571195 565145413 /nfs/dbraw/zinc/14/54/13/565145413.db2.gz SJYCXYFPWMGXLM-INKIEPKGSA-N 1 2 621.734 5.498 1 0 biogenic,in-vitro KKAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@@H]3c4cc[nH+]c(N)c4C=C[C@H]3c3cccc(O)c3)c2OC1(C)C ZINC000085595237 565152729 /nfs/dbraw/zinc/15/27/29/565152729.db2.gz QYXWEPRWYJHFIM-IUMVEWCWSA-N 1 2 610.663 5.208 1 0 biogenic,in-vitro KKAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@@H]3c4cc[nH+]c(N)c4C=C[C@H]3c3cccc(O)c3)c2OC1(C)C ZINC000085595237 565152732 /nfs/dbraw/zinc/15/27/32/565152732.db2.gz QYXWEPRWYJHFIM-IUMVEWCWSA-N 1 2 610.663 5.208 1 0 biogenic,in-vitro KKAFLO CC(C)(C)c1cc2c(cc1O)OC=C(C(=O)N1CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2 ZINC000013470032 561713825 /nfs/dbraw/zinc/71/38/25/561713825.db2.gz YUPBILLGJZVQPJ-UHFFFAOYSA-N 1 2 520.576 5.514 1 0 KKAFLO Cn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489489 561715843 /nfs/dbraw/zinc/71/58/43/561715843.db2.gz HAVQZHBSNHGZME-LJAQVGFWSA-N 1 2 516.428 5.939 1 0 KKAFLO CCCCc1[nH+]cc(C=C2C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013743376 561726459 /nfs/dbraw/zinc/72/64/59/561726459.db2.gz XEKDNMWGRDRXRS-KOEQRZSOSA-N 1 2 524.629 5.654 1 0 KKAFLO O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013814816 561732023 /nfs/dbraw/zinc/73/20/23/561732023.db2.gz DEQNAOBMFIOGRH-WEVVVXLNSA-N 1 2 504.870 6.555 1 0 KKAFLO CC(C)(Nc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1)c1ccccc1 ZINC000014128436 561736932 /nfs/dbraw/zinc/73/69/32/561736932.db2.gz KMRMUJAZIVSBBF-HSZRJFAPSA-N 1 2 541.545 6.640 1 0 KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000014234306 561738199 /nfs/dbraw/zinc/73/81/99/561738199.db2.gz CNHCDGVYZXTPAZ-OGZRYGHFSA-N 1 2 638.853 5.240 1 0 KKAFLO CC(C)CCC(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022594948 561759419 /nfs/dbraw/zinc/75/94/19/561759419.db2.gz DKSIRHYATTYLCE-UHFFFAOYSA-N 1 2 535.676 6.295 1 0 KKAFLO O=C(c1ccc(Cl)cc1)[C@H](Nc1ccc(Cl)cc1)N[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025977864 561763685 /nfs/dbraw/zinc/76/36/85/561763685.db2.gz XKPZFHQUOCYFRH-UKILVPOCSA-N 1 2 534.274 7.149 1 0 KKAFLO Cc1[nH]c(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2CCc2ccccc2)c[nH+]1 ZINC000025981547 561763985 /nfs/dbraw/zinc/76/39/85/561763985.db2.gz QIBQNJKMUJGWIQ-SANMLTNESA-N 1 2 504.631 5.070 1 0 KKAFLO Cc1[nH]cc(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2CCc2ccccc2)[nH+]1 ZINC000025981547 561763988 /nfs/dbraw/zinc/76/39/88/561763988.db2.gz QIBQNJKMUJGWIQ-SANMLTNESA-N 1 2 504.631 5.070 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CCCCC1 ZINC000026382879 561783723 /nfs/dbraw/zinc/78/37/23/561783723.db2.gz NNBHDRJEVSYTPI-ROCBYOHGSA-N 1 2 611.835 6.436 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CCCCC1 ZINC000026382879 561783725 /nfs/dbraw/zinc/78/37/25/561783725.db2.gz NNBHDRJEVSYTPI-ROCBYOHGSA-N 1 2 611.835 6.436 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3cccc(Cl)c32)cc1)c1ccccc1-c1ccccc1 ZINC000026659483 561810044 /nfs/dbraw/zinc/81/00/44/561810044.db2.gz SWFWMZCZWMQLGN-SANMLTNESA-N 1 2 554.115 6.837 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3cccc(Cl)c32)cc1)c1ccccc1-c1ccccc1 ZINC000026659483 561810045 /nfs/dbraw/zinc/81/00/45/561810045.db2.gz SWFWMZCZWMQLGN-SANMLTNESA-N 1 2 554.115 6.837 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 ZINC000026659774 561810163 /nfs/dbraw/zinc/81/01/63/561810163.db2.gz NEYSVVNYBJMIKL-RUZDIDTESA-N 1 2 572.105 6.976 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 ZINC000026659774 561810164 /nfs/dbraw/zinc/81/01/64/561810164.db2.gz NEYSVVNYBJMIKL-RUZDIDTESA-N 1 2 572.105 6.976 1 0 KKAFLO CC(C)N1CCN(CC[NH+]2CCN([C@@H]3C[C@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000026662779 561810629 /nfs/dbraw/zinc/81/06/29/561810629.db2.gz MNGBFDADKNTDGN-AOYPEHQESA-N 1 2 501.502 5.334 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674603 561813570 /nfs/dbraw/zinc/81/35/70/561813570.db2.gz XIFNDLZEADZPOZ-FCHUYYIVSA-N 1 2 533.713 6.691 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674603 561813572 /nfs/dbraw/zinc/81/35/72/561813572.db2.gz XIFNDLZEADZPOZ-FCHUYYIVSA-N 1 2 533.713 6.691 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674609 561813640 /nfs/dbraw/zinc/81/36/40/561813640.db2.gz XIFNDLZEADZPOZ-VXKWHMMOSA-N 1 2 533.713 6.691 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674609 561813642 /nfs/dbraw/zinc/81/36/42/561813642.db2.gz XIFNDLZEADZPOZ-VXKWHMMOSA-N 1 2 533.713 6.691 1 0 KKAFLO COC(=O)C1=C(c2ccc(-n3cc[nH+]c3)cc2)NC(C)=C(C(=O)Nc2nccs2)[C@@H]1c1ccccc1Cl ZINC000026833737 561823529 /nfs/dbraw/zinc/82/35/29/561823529.db2.gz VSWONGHXBAKJFL-QFIPXVFZSA-N 1 2 532.025 5.166 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CCCSc1ccccn1 ZINC000027102497 561839074 /nfs/dbraw/zinc/83/90/74/561839074.db2.gz SQVHGRVONUSHGR-RTNMLALUSA-N 1 2 692.927 5.357 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CCCSc1ccccn1 ZINC000027102497 561839076 /nfs/dbraw/zinc/83/90/76/561839076.db2.gz SQVHGRVONUSHGR-RTNMLALUSA-N 1 2 692.927 5.357 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(C)cc2)cc1-c1ccccc1 ZINC000027517606 561861342 /nfs/dbraw/zinc/86/13/42/561861342.db2.gz BPSVMLCIONWGHF-LJAQVGFWSA-N 1 2 542.705 5.543 1 0 KKAFLO CC(=O)Oc1ccccc1C(=O)O[C@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027521208 561863944 /nfs/dbraw/zinc/86/39/44/561863944.db2.gz UMOSNNITWBSSED-MHZLTWQESA-N 1 2 658.731 5.281 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027557695 561869960 /nfs/dbraw/zinc/86/99/60/561869960.db2.gz VMIRRWHXJUNWKE-HKBQPEDESA-N 1 2 586.625 6.232 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027628054 561873374 /nfs/dbraw/zinc/87/33/74/561873374.db2.gz WMFVIXHKRIUIEU-UHFFFAOYSA-N 1 2 614.194 5.236 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)[nH+]c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000027628054 561873377 /nfs/dbraw/zinc/87/33/77/561873377.db2.gz WMFVIXHKRIUIEU-UHFFFAOYSA-N 1 2 614.194 5.236 1 0 KKAFLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1ccccc1NC(=O)c1ccc(C3CCCCC3)cc1)CC2 ZINC000027709519 561879417 /nfs/dbraw/zinc/87/94/17/561879417.db2.gz FRKRVYQJFNOVNC-UHFFFAOYSA-N 1 2 541.692 5.792 1 0 KKAFLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1ccccc1NC(=O)c1ccc(C3CCCCC3)cc1)CC2 ZINC000027709519 561879419 /nfs/dbraw/zinc/87/94/19/561879419.db2.gz FRKRVYQJFNOVNC-UHFFFAOYSA-N 1 2 541.692 5.792 1 0 KKAFLO CCOC(=O)CCCC/C=C(\c1ccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027856744 561886630 /nfs/dbraw/zinc/88/66/30/561886630.db2.gz GCTAXPRQXHZAPH-OKGLDYFDSA-N 1 2 705.328 8.711 1 0 KKAFLO CCOC(=O)CCCC/C=C(\c1ccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027856744 561886632 /nfs/dbraw/zinc/88/66/32/561886632.db2.gz GCTAXPRQXHZAPH-OKGLDYFDSA-N 1 2 705.328 8.711 1 0 KKAFLO CCOC(=O)CCCC/C=C(\c1ccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027856738 561886656 /nfs/dbraw/zinc/88/66/56/561886656.db2.gz GCTAXPRQXHZAPH-JWIPSHOFSA-N 1 2 705.328 8.711 1 0 KKAFLO CCOC(=O)CCCC/C=C(\c1ccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027856738 561886657 /nfs/dbraw/zinc/88/66/57/561886657.db2.gz GCTAXPRQXHZAPH-JWIPSHOFSA-N 1 2 705.328 8.711 1 0 KKAFLO CC(=O)N(Cc1ccccc1C(F)(F)F)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027859311 561886865 /nfs/dbraw/zinc/88/68/65/561886865.db2.gz BAWOEXVCFSAHRQ-MHZLTWQESA-N 1 2 591.678 5.085 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2ccc(Cl)c(Cl)c2)cc1 ZINC000028522983 561929860 /nfs/dbraw/zinc/92/98/60/561929860.db2.gz OWXOUKWUYWQYMJ-XMMPIXPASA-N 1 2 559.490 5.509 1 0 KKAFLO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2cc(Cl)c(Cl)cc2C(=O)CCc2ccccc2)CC1 ZINC000028636857 561941445 /nfs/dbraw/zinc/94/14/45/561941445.db2.gz QDIPNTFLYXEGQD-HSZRJFAPSA-N 1 2 527.492 5.679 1 0 KKAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@@H](C)c4cccc(Br)c4)cc[nH]c3=O)[nH]c21 ZINC000028703586 561947915 /nfs/dbraw/zinc/94/79/15/561947915.db2.gz NCWNPKMGACZKLI-MRXNPFEDSA-N 1 2 503.404 5.390 1 0 KKAFLO O=C(CC[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000028770960 561961271 /nfs/dbraw/zinc/96/12/71/561961271.db2.gz QHFTUSNJOFCBSQ-UHFFFAOYSA-N 1 2 543.452 5.724 1 0 KKAFLO O=C(CCN1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000028770960 561961272 /nfs/dbraw/zinc/96/12/72/561961272.db2.gz QHFTUSNJOFCBSQ-UHFFFAOYSA-N 1 2 543.452 5.724 1 0 KKAFLO Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822138 561966678 /nfs/dbraw/zinc/96/66/78/561966678.db2.gz ULIOLEOZQSNLLB-UHFFFAOYSA-N 1 2 665.854 7.209 1 0 KKAFLO CN(CCO)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)nc[nH+]1 ZINC000028952851 561982195 /nfs/dbraw/zinc/98/21/95/561982195.db2.gz YKWUFQRWIXUJTF-UHFFFAOYSA-N 1 2 532.523 5.182 1 0 KKAFLO CC(C)N(CCCn1cc[nH+]c1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976115 561986754 /nfs/dbraw/zinc/98/67/54/561986754.db2.gz ZKLZSAACDZEQLJ-HXUWFJFHSA-N 1 2 583.538 5.203 1 0 KKAFLO CCN(CCCn1cc[nH+]c1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976139 561986763 /nfs/dbraw/zinc/98/67/63/561986763.db2.gz DIKBTZFFACQGQU-GOSISDBHSA-N 1 2 573.930 5.976 1 0 KKAFLO C[C@H](COC(=O)NCCCn1cc[nH+]c1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976127 561986773 /nfs/dbraw/zinc/98/67/73/561986773.db2.gz CAYZCIFYSFVVTI-MRXNPFEDSA-N 1 2 545.876 5.244 1 0 KKAFLO Nc1ccccc1NC(=O)c1cc2ccc([C@@H](C(=O)NCc3ccccc3)[NH+]3CCN(c4ccccc4)CC3)cc2s1 ZINC000028976417 561986848 /nfs/dbraw/zinc/98/68/48/561986848.db2.gz YJFHTOBHWTUJEF-YTTGMZPUSA-N 1 2 575.738 5.916 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1C ZINC000029126228 561998572 /nfs/dbraw/zinc/99/85/72/561998572.db2.gz OHLWVBVKQCVLQB-UHFFFAOYSA-N 1 2 554.691 5.472 1 0 KKAFLO Cc1ccc2c(cccc2-c2nnc(SCC[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029127126 561999486 /nfs/dbraw/zinc/99/94/86/561999486.db2.gz KBAMXOZNCXYSJT-UHFFFAOYSA-N 1 2 617.495 6.454 1 0 KKAFLO Cc1ccc2c(cccc2-c2nnc(SCC[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029127126 561999488 /nfs/dbraw/zinc/99/94/88/561999488.db2.gz KBAMXOZNCXYSJT-UHFFFAOYSA-N 1 2 617.495 6.454 1 0 KKAFLO O=C([O-])CCCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029402409 562019859 /nfs/dbraw/zinc/01/98/59/562019859.db2.gz XGGDQEWNTPWFSR-UHFFFAOYSA-N 1 2 566.489 5.500 1 0 KKAFLO CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(OCCCO)c(N)[nH+]2)cc1 ZINC000035953603 562045891 /nfs/dbraw/zinc/04/58/91/562045891.db2.gz WRNFNHDMWUCAET-UHFFFAOYSA-N 1 2 520.073 6.831 1 0 KKAFLO Nc1[nH+]c(Cn2c(-c3ccc(Oc4cncnc4)cc3)ccc2-c2ccccc2Cl)ccc1OCCO ZINC000035985970 562046017 /nfs/dbraw/zinc/04/60/17/562046017.db2.gz BWTCKKGQSUGPNA-UHFFFAOYSA-N 1 2 513.985 5.454 1 0 KKAFLO C[N@H+](CC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000036324321 562055427 /nfs/dbraw/zinc/05/54/27/562055427.db2.gz WKVJTXKYRCNGPX-HARLFGEKSA-N 1 2 542.524 6.149 1 0 KKAFLO C[N@@H+](CC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000036324321 562055428 /nfs/dbraw/zinc/05/54/28/562055428.db2.gz WKVJTXKYRCNGPX-HARLFGEKSA-N 1 2 542.524 6.149 1 0 KKAFLO Cc1cccc(NC(=O)N2CCc3cc(-c4n[nH]c5c4Cc4cc(CN6CC[NH+](C)CC6)ccc4-5)sc3C2)c1 ZINC000036338829 562057212 /nfs/dbraw/zinc/05/72/12/562057212.db2.gz DINUMFKXHNIHAW-UHFFFAOYSA-N 1 2 538.721 5.355 1 0 KKAFLO Cc1cccc(NC(=O)N2CCc3cc(-c4n[nH]c5c4Cc4cc(C[NH+]6CCN(C)CC6)ccc4-5)sc3C2)c1 ZINC000036338829 562057213 /nfs/dbraw/zinc/05/72/13/562057213.db2.gz DINUMFKXHNIHAW-UHFFFAOYSA-N 1 2 538.721 5.355 1 0 KKAFLO Cc1cccc(NC(=O)N2CCc3cc(-c4[nH]nc5c4Cc4cc(CN6CC[NH+](C)CC6)ccc4-5)sc3C2)c1 ZINC000036338829 562057215 /nfs/dbraw/zinc/05/72/15/562057215.db2.gz DINUMFKXHNIHAW-UHFFFAOYSA-N 1 2 538.721 5.355 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(Br)cc1 ZINC000036338852 562057244 /nfs/dbraw/zinc/05/72/44/562057244.db2.gz VJRMARZDCXLFER-UHFFFAOYSA-N 1 2 591.579 5.883 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Br)cc1 ZINC000036338852 562057246 /nfs/dbraw/zinc/05/72/46/562057246.db2.gz VJRMARZDCXLFER-UHFFFAOYSA-N 1 2 591.579 5.883 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc(Nc5ccccc5F)n(C)c4=O)cc3F)c2cc1OC ZINC000036489094 562061110 /nfs/dbraw/zinc/06/11/10/562061110.db2.gz QZCOGTMXBBPDKK-UHFFFAOYSA-N 1 2 516.504 5.827 1 0 KKAFLO OCCCn1c(CCCNc2nc(-c3cccc(Br)c3)cs2)[nH+]c2cc(Cl)c(N3CCCCC3)cc21 ZINC000038146604 562065293 /nfs/dbraw/zinc/06/52/93/562065293.db2.gz KRULXQRCZJZJIK-UHFFFAOYSA-N 1 2 589.003 6.993 3 0 KKAFLO CC[C@@H](C)c1ccc(-c2cc3ncn(-c4ccc5nc(C[NH+]6CCOCC6)ccc5c4)c(=O)c3s2)cc1 ZINC000038149741 562066211 /nfs/dbraw/zinc/06/62/11/562066211.db2.gz DVZUMXKYIYIBCL-HXUWFJFHSA-N 1 2 510.663 6.008 1 0 KKAFLO O=C1[C@H](Cc2ccccc2)Nc2[nH+]cnc(N3CCc4ccccc4C3)c2N1Cc1ccc(Br)cc1 ZINC000038151143 562066849 /nfs/dbraw/zinc/06/68/49/562066849.db2.gz FYCHVHRGUPSACR-VWLOTQADSA-N 1 2 540.465 5.372 3 0 KKAFLO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156573 562068460 /nfs/dbraw/zinc/06/84/60/562068460.db2.gz BQOSWZIEUSNZDS-UHFFFAOYSA-N 1 2 598.568 5.052 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000039167535 562072803 /nfs/dbraw/zinc/07/28/03/562072803.db2.gz MDPULBLYZQWTKD-ACIOBRDBSA-N 1 2 524.683 5.010 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000039167535 562072805 /nfs/dbraw/zinc/07/28/05/562072805.db2.gz MDPULBLYZQWTKD-ACIOBRDBSA-N 1 2 524.683 5.010 1 0 KKAFLO O=S(=O)(c1cccc2oc(N3CC[NH+](CCCc4ccccc4)CC3)nc21)c1cccc2ccccc21 ZINC000040392278 562073662 /nfs/dbraw/zinc/07/36/62/562073662.db2.gz ZGRGKQLQMWTJIE-UHFFFAOYSA-N 1 2 511.647 5.569 1 0 KKAFLO CCCC(=O)O[C@@H](Cc1ccccc1)C[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040422529 562076040 /nfs/dbraw/zinc/07/60/40/562076040.db2.gz PKJFMEUKMLOSSK-HKBQPEDESA-N 1 2 535.679 6.065 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc([C@H](NC(=O)CCSC)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000042806226 562089496 /nfs/dbraw/zinc/08/94/96/562089496.db2.gz UGUJTUUACHEEGS-WJOKGBTCSA-N 1 2 614.699 5.903 1 0 KKAFLO CC[C@H](CO)CC[C@@H](C[C@@H](CCc1cc(OC2CCCCC2)c(O)cc1-c1cc[nH+]c(N)c1)OC(C)=O)OC(C)=O ZINC000085629425 560068442 /nfs/dbraw/zinc/06/84/42/560068442.db2.gz AOSPWPVDPIFBBA-MXSCXNJPSA-N 1 2 570.727 5.733 1 0 biogenic,in-vitro KKAFLO COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)[N@H+](C)CC4)cc1OC ZINC000085540993 560071566 /nfs/dbraw/zinc/07/15/66/560071566.db2.gz CTIIMTXWHVNAII-HXUWFJFHSA-N 1 2 535.593 5.095 1 0 biogenic,in-vitro KKAFLO COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)[N@@H+](C)CC4)cc1OC ZINC000085540993 560071568 /nfs/dbraw/zinc/07/15/68/560071568.db2.gz CTIIMTXWHVNAII-HXUWFJFHSA-N 1 2 535.593 5.095 1 0 biogenic,in-vitro KKAFLO CCCC[C@@H](CC)CNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]cn1 ZINC000043066357 562645381 /nfs/dbraw/zinc/64/53/81/562645381.db2.gz CNPDKRZFFANWGF-LZCXECNNSA-N 1 2 543.981 8.348 1 0 KKAFLO CCCC[C@@H](CC)CNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc[nH+]1 ZINC000043066357 562645380 /nfs/dbraw/zinc/64/53/80/562645380.db2.gz CNPDKRZFFANWGF-LZCXECNNSA-N 1 2 543.981 8.348 1 0 KKAFLO CCNc1cccnc1N1CC[NH+](CC(=O)[C@H]2[C@H](C)C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000043641048 562650473 /nfs/dbraw/zinc/65/04/73/562650473.db2.gz ZJOVANLWKDPSMI-WSIWVXRLSA-N 1 2 528.741 5.295 1 0 KKAFLO COc1cccc(C(=O)N[C@H]2CCC[C@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000044031724 562651573 /nfs/dbraw/zinc/65/15/73/562651573.db2.gz FCRQRXBCUSWSEF-WNJJXGMVSA-N 1 2 586.733 5.434 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4ccccc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000044304999 562653301 /nfs/dbraw/zinc/65/33/01/562653301.db2.gz BLWPBSFUNSFUOR-OOWIMERYSA-N 1 2 620.577 5.989 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1)OC1CCCC1 ZINC000044306625 562653821 /nfs/dbraw/zinc/65/38/21/562653821.db2.gz DJPNTRIUKKTBSI-HEVIKAOCSA-N 1 2 578.761 5.664 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(NC(=O)c5ccc(C(F)(F)F)cc5)nn(C)c4c3)c2cc1OC ZINC000044387997 562656247 /nfs/dbraw/zinc/65/62/47/562656247.db2.gz FLBOVCXPJRCWAS-UHFFFAOYSA-N 1 2 522.483 6.202 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3)c2cc1OC ZINC000045298984 562660398 /nfs/dbraw/zinc/66/03/98/562660398.db2.gz GTVLRDKETAZSES-UHFFFAOYSA-N 1 2 502.502 5.658 1 0 KKAFLO Cc1ccc([C@H]2[C@H](c3cccs3)[C@@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000045300872 562660487 /nfs/dbraw/zinc/66/04/87/562660487.db2.gz RFJDVEYBRCKJIW-GCJCAGDSSA-N 1 2 508.687 7.108 1 0 KKAFLO Cc1ccc([C@H]2[C@H](c3cccs3)[C@@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000045300872 562660488 /nfs/dbraw/zinc/66/04/88/562660488.db2.gz RFJDVEYBRCKJIW-GCJCAGDSSA-N 1 2 508.687 7.108 1 0 KKAFLO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2C(F)(F)F)CC1 ZINC000045366254 562662042 /nfs/dbraw/zinc/66/20/42/562662042.db2.gz MLTWOMDQQFOCMD-YTTGMZPUSA-N 1 2 528.618 7.161 1 0 KKAFLO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2C(F)(F)F)CC1 ZINC000045366257 562662052 /nfs/dbraw/zinc/66/20/52/562662052.db2.gz MLTWOMDQQFOCMD-JGCGQSQUSA-N 1 2 528.618 7.161 1 0 KKAFLO CCn1c[nH+]cc1[C@@](OC)(c1ccc(C(C)C)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049112843 562664607 /nfs/dbraw/zinc/66/46/07/562664607.db2.gz APDKNPUEIGDZHT-JGCGQSQUSA-N 1 2 526.080 7.137 1 0 KKAFLO C[C@H]1CN(c2ccc(NC(=O)c3ccsc3)cc2C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000049604986 562665161 /nfs/dbraw/zinc/66/51/61/562665161.db2.gz NMNPPJSWQFRRAM-ZEQRLZLVSA-N 1 2 574.791 5.870 1 0 KKAFLO C[NH+]1CCN(CCc2ccc3[nH]c(-c4csc(Cc5cc(Cl)ccc5OCc5ccccc5)n4)nc3c2)CC1 ZINC000049605233 562665578 /nfs/dbraw/zinc/66/55/78/562665578.db2.gz LYMOKEWQKIEWRP-UHFFFAOYSA-N 1 2 558.151 6.300 1 0 KKAFLO C[NH+]1CCN(CCc2ccc3nc(-c4csc(Cc5cc(Cl)ccc5OCc5ccccc5)n4)[nH]c3c2)CC1 ZINC000049605233 562665579 /nfs/dbraw/zinc/66/55/79/562665579.db2.gz LYMOKEWQKIEWRP-UHFFFAOYSA-N 1 2 558.151 6.300 1 0 KKAFLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]cc(C(=O)NCc1ccc(C(F)(F)F)cc1)c2Nc1ccccc1C(C)(C)C ZINC000049605697 562666218 /nfs/dbraw/zinc/66/62/18/562666218.db2.gz ONDMGHKMYBMJEJ-UHFFFAOYSA-N 1 2 572.631 8.497 1 0 KKAFLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]cc(C(=O)NCc1ccc3c(c1)OCO3)c2Nc1ccccc1C(C)(C)C ZINC000049625641 562666824 /nfs/dbraw/zinc/66/68/24/562666824.db2.gz NWVYYFTYEXHHPH-UHFFFAOYSA-N 1 2 548.643 7.206 1 0 KKAFLO Nc1cccc(Nc2nc(NCCc3ccc(F)cc3)nc(Nc3ccc(CCNc4nc(Nc5cccc(N)c5)nc(NCCO)[nH+]4)cc3)n2)c1 ZINC000049678470 562668554 /nfs/dbraw/zinc/66/85/54/562668554.db2.gz GVRIOVKTLBRWGK-UHFFFAOYSA-N 1 2 702.803 5.304 1 0 KKAFLO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3[nH+]cccc3OCCCO)CC2)c1 ZINC000049708623 562671013 /nfs/dbraw/zinc/67/10/13/562671013.db2.gz OPRCHEPHKKTQJD-UHFFFAOYSA-N 1 2 589.781 6.040 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@]23C[N@H+]([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049709177 562671257 /nfs/dbraw/zinc/67/12/57/562671257.db2.gz LHQDUADKXWTRSM-HQWRQGGSSA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@]23C[N@@H+]([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049709177 562671258 /nfs/dbraw/zinc/67/12/58/562671258.db2.gz LHQDUADKXWTRSM-HQWRQGGSSA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccccc3)[C@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709504 562671313 /nfs/dbraw/zinc/67/13/13/562671313.db2.gz JRVVQPOMTRWNQN-AGYDZKFASA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccccc3)[C@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709504 562671314 /nfs/dbraw/zinc/67/13/14/562671314.db2.gz JRVVQPOMTRWNQN-AGYDZKFASA-N 1 2 502.658 7.047 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccc(C)cc3)[C@@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049710975 562671916 /nfs/dbraw/zinc/67/19/16/562671916.db2.gz BHOCRXLPQVPROH-RJFUXBHJSA-N 1 2 516.685 7.355 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3ccc(C)cc3)[C@@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049710975 562671915 /nfs/dbraw/zinc/67/19/15/562671915.db2.gz BHOCRXLPQVPROH-RJFUXBHJSA-N 1 2 516.685 7.355 1 0 KKAFLO CN(c1ccc2c(c1)[nH+]c(Nc1cc(C(C)(C)C)on1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000049744864 562673516 /nfs/dbraw/zinc/67/35/16/562673516.db2.gz ATLBYRJSBYXWMY-UHFFFAOYSA-N 1 2 560.684 5.449 1 0 KKAFLO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCCC[NH+]6CCN(S(C)(=O)=O)CC6)cc5sc4n3)cc2)no1 ZINC000049745407 562673860 /nfs/dbraw/zinc/67/38/60/562673860.db2.gz OHUFQEWUUDFDSC-UHFFFAOYSA-N 1 2 651.815 5.492 1 0 KKAFLO FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)c4)cc3)[nH]c2c1 ZINC000049746426 562674441 /nfs/dbraw/zinc/67/44/41/562674441.db2.gz COATYEQUOQJHLY-UHFFFAOYSA-N 1 2 524.550 6.786 1 0 KKAFLO COc1cc(CNC(=O)C[C@H](C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756735 562675218 /nfs/dbraw/zinc/67/52/18/562675218.db2.gz QEMGEAVSFHMSAA-UDNBHOFDSA-N 1 2 594.152 5.332 1 0 KKAFLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049762031 562676291 /nfs/dbraw/zinc/67/62/91/562676291.db2.gz POMIGTJNLSPLAH-XIFFEERXSA-N 1 2 560.698 5.416 1 0 KKAFLO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777057 562679582 /nfs/dbraw/zinc/67/95/82/562679582.db2.gz JXPNJRFLIWRZMU-PMERELPUSA-N 1 2 616.872 5.557 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(/C=C/N4CNc5c4ncnc5NC4CC4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000049777869 562680613 /nfs/dbraw/zinc/68/06/13/562680613.db2.gz BNIPBKFCGMYCDD-BQYQJAHWSA-N 1 2 560.584 5.985 1 0 KKAFLO COc1cccc(C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCC[C@@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000049778255 562681065 /nfs/dbraw/zinc/68/10/65/562681065.db2.gz ZFKKQNZVKREWGF-BNHMMOKISA-N 1 2 711.303 8.000 1 0 KKAFLO O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCC[NH+]5CCOCC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049781093 562682621 /nfs/dbraw/zinc/68/26/21/562682621.db2.gz ISCYINUUKSFOIW-UHFFFAOYSA-N 1 2 587.606 5.474 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(Cl)cc(F)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049823131 562687004 /nfs/dbraw/zinc/68/70/04/562687004.db2.gz BKKWUNAUNLEBPL-WVXBCFDCSA-N 1 2 707.457 7.435 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(F)c4F)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049823245 562687127 /nfs/dbraw/zinc/68/71/27/562687127.db2.gz WMFNFSJADWVQPN-AYWVHJORSA-N 1 2 672.575 6.960 1 0 KKAFLO CCOP(=O)(CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@@H](C)c3ccccc3)c2)[nH]1)OCC ZINC000049878627 562690717 /nfs/dbraw/zinc/69/07/17/562690717.db2.gz AZXQUHLBEZBKJS-IBGZPJMESA-N 1 2 540.601 7.767 1 0 KKAFLO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)s2)CC1 ZINC000049917789 562693899 /nfs/dbraw/zinc/69/38/99/562693899.db2.gz GPCVXMJINGXIIG-UHFFFAOYSA-N 1 2 562.498 5.688 1 0 KKAFLO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21)N(CCn1cc[nH+]c1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917895 562694076 /nfs/dbraw/zinc/69/40/76/562694076.db2.gz FJQYHCSUYKALRT-UHFFFAOYSA-N 1 2 671.670 7.071 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccccc2F)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955985 562695959 /nfs/dbraw/zinc/69/59/59/562695959.db2.gz HRRKPTUNMBRCRO-UHFFFAOYSA-N 1 2 590.667 6.096 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccccc2F)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955985 562695960 /nfs/dbraw/zinc/69/59/60/562695960.db2.gz HRRKPTUNMBRCRO-UHFFFAOYSA-N 1 2 590.667 6.096 1 0 KKAFLO COc1c(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)cc(Br)c2ccccc21 ZINC000053275907 562697046 /nfs/dbraw/zinc/69/70/46/562697046.db2.gz SATOYXZJVAZVKU-UHFFFAOYSA-N 1 2 516.867 5.125 1 0 KKAFLO CC[C@@H]1[C@@H](C)CN(c2[nH+]c3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@H]1C ZINC000058506127 562698328 /nfs/dbraw/zinc/69/83/28/562698328.db2.gz UJYZSAKJRRAVME-WPFOTENUSA-N 1 2 517.758 7.707 1 0 KKAFLO Cn1cc(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000059185475 562701796 /nfs/dbraw/zinc/70/17/96/562701796.db2.gz NTIUJPKOSDQHQP-MUUNZHRXSA-N 1 2 617.175 5.482 1 0 KKAFLO Cn1cc(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000059185475 562701797 /nfs/dbraw/zinc/70/17/97/562701797.db2.gz NTIUJPKOSDQHQP-MUUNZHRXSA-N 1 2 617.175 5.482 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000059185059 562701819 /nfs/dbraw/zinc/70/18/19/562701819.db2.gz WIWSXPUJWQMNFO-MUUNZHRXSA-N 1 2 617.175 5.482 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000059185059 562701820 /nfs/dbraw/zinc/70/18/20/562701820.db2.gz WIWSXPUJWQMNFO-MUUNZHRXSA-N 1 2 617.175 5.482 1 0 KKAFLO O=C(CSc1nc2ccc(Nc3nc(N4CCCCC4)[nH+]c(N4CCCCC4)n3)cc2s1)Nc1ccccc1 ZINC000064512999 562706335 /nfs/dbraw/zinc/70/63/35/562706335.db2.gz IUJNILHLIWRQFX-UHFFFAOYSA-N 1 2 560.753 5.936 1 0 KKAFLO Cc1cc2c(cnn2-c2ccc([NH2+]C3CC3)cc2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066074723 562709925 /nfs/dbraw/zinc/70/99/25/562709925.db2.gz HIBFQZVGDMCWDY-QFIPXVFZSA-N 1 2 517.699 5.612 1 0 KKAFLO COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@H+](CC(F)F)CC3)ncc1Cl ZINC000066252807 562714850 /nfs/dbraw/zinc/71/48/50/562714850.db2.gz NBZWPAGHNPREBR-UHFFFAOYSA-N 1 2 575.060 5.137 1 0 KKAFLO COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@@H+](CC(F)F)CC3)ncc1Cl ZINC000066252807 562714851 /nfs/dbraw/zinc/71/48/51/562714851.db2.gz NBZWPAGHNPREBR-UHFFFAOYSA-N 1 2 575.060 5.137 1 0 KKAFLO CC(=O)N(C)[C@@H]1CCN(c2nc(Nc3ccc(C(F)(F)F)cc3)c3c([nH+]2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258694 562715054 /nfs/dbraw/zinc/71/50/54/562715054.db2.gz AWFVISZDKAPGAO-HXUWFJFHSA-N 1 2 593.576 5.315 1 0 KKAFLO Fc1ccc(-c2nnc(-c3ccc4[nH+]c(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066259813 562715317 /nfs/dbraw/zinc/71/53/17/562715317.db2.gz VBCMGLDMHSGDIF-UHFFFAOYSA-N 1 2 539.570 8.393 1 0 KKAFLO COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5c[nH+]4)CC3)nc2-c2ccc(C)cc2)cc1 ZINC000071319435 562718799 /nfs/dbraw/zinc/71/87/99/562718799.db2.gz QQABGLMTWZDASC-UHFFFAOYSA-N 1 2 515.617 5.638 1 0 KKAFLO O=C(NCC[C@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000071329781 562719018 /nfs/dbraw/zinc/71/90/18/562719018.db2.gz GTBCNDPVHSBZNR-QFIPXVFZSA-N 1 2 512.456 5.845 1 0 KKAFLO C[C@H](CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072124935 562725151 /nfs/dbraw/zinc/72/51/51/562725151.db2.gz MOVKYBBXWYNWRC-VVAMEHDISA-N 1 2 592.865 5.222 1 0 KKAFLO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(-c5ccc(Br)cc5)n[nH]4)c3)cc2C(F)(F)F)CC1 ZINC000072157049 562730179 /nfs/dbraw/zinc/73/01/79/562730179.db2.gz LWOQARAPSINWHX-UHFFFAOYSA-N 1 2 669.546 6.809 3 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5ccccc5F)c4)n3)c[nH+]2)CC1 ZINC000072177102 562731744 /nfs/dbraw/zinc/73/17/44/562731744.db2.gz CIIUGLSRFAGNDX-UHFFFAOYSA-N 1 2 672.812 6.138 1 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5ccccc5)c4)n3)c[nH+]2)CC1 ZINC000072178343 562732027 /nfs/dbraw/zinc/73/20/27/562732027.db2.gz SSDZABHFZHOZNH-UHFFFAOYSA-N 1 2 654.822 5.998 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000072316992 562733130 /nfs/dbraw/zinc/73/31/30/562733130.db2.gz GZAWCWVPZBVPIK-UHFFFAOYSA-N 1 2 585.712 6.174 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073164089 562734253 /nfs/dbraw/zinc/73/42/53/562734253.db2.gz ILHXPMDIPFHHAC-VWLOTQADSA-N 1 2 548.552 5.361 1 0 KKAFLO O=C(NCC[NH+]1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000073168307 562734697 /nfs/dbraw/zinc/73/46/97/562734697.db2.gz VNZBSMSVQFYVMF-UHFFFAOYSA-N 1 2 583.925 5.851 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3ccccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000073197600 562735441 /nfs/dbraw/zinc/73/54/41/562735441.db2.gz JHQCKZBQAORXFB-HHHXNRCGSA-N 1 2 602.946 5.909 1 0 KKAFLO COC(=O)[C@@]12C[C@H]3COc4ccc5ccccc5c4[C@H]3[N@@H+]1[C@H](c1ccc(OC)cc1)c1[nH]c3ccccc3c1C2 ZINC000073198065 562735565 /nfs/dbraw/zinc/73/55/65/562735565.db2.gz PBSGFAKVLRFTIH-QMLBIMGKSA-N 1 2 530.624 6.343 1 0 KKAFLO COC(=O)[C@@]12C[C@H]3COc4ccc5ccccc5c4[C@H]3[N@H+]1[C@H](c1ccc(OC)cc1)c1[nH]c3ccccc3c1C2 ZINC000073198065 562735566 /nfs/dbraw/zinc/73/55/66/562735566.db2.gz PBSGFAKVLRFTIH-QMLBIMGKSA-N 1 2 530.624 6.343 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000073220404 562736250 /nfs/dbraw/zinc/73/62/50/562736250.db2.gz LNJUWLXCGKKUFP-UHFFFAOYSA-N 1 2 577.582 5.600 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2nnc(Cc4ccccc4)o2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073222991 562736440 /nfs/dbraw/zinc/73/64/40/562736440.db2.gz KZAZIGDHHJOTNZ-UHFFFAOYSA-N 1 2 544.030 5.235 1 0 KKAFLO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140344 562739374 /nfs/dbraw/zinc/73/93/74/562739374.db2.gz NQLZQXHPTDDGFO-MUUNZHRXSA-N 1 2 659.105 5.121 1 0 KKAFLO CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140451 562739465 /nfs/dbraw/zinc/73/94/65/562739465.db2.gz NDHPWWGCDLSSON-SSEXGKCCSA-N 1 2 688.052 5.588 1 0 KKAFLO COc1ccc([C@H]2CN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)nc[nH+]3)CCO2)cc1 ZINC000082153333 562740180 /nfs/dbraw/zinc/74/01/80/562740180.db2.gz TVRVKXWQZDQWCS-XZOQPEGZSA-N 1 2 525.440 5.588 1 0 KKAFLO COc1ccc([C@H]2CN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)[nH+]cn3)CCO2)cc1 ZINC000082153333 562740181 /nfs/dbraw/zinc/74/01/81/562740181.db2.gz TVRVKXWQZDQWCS-XZOQPEGZSA-N 1 2 525.440 5.588 1 0 KKAFLO Nc1cc(Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)nc[nH+]1 ZINC000082154137 562740365 /nfs/dbraw/zinc/74/03/65/562740365.db2.gz MPAXOULLJGPMCD-UHFFFAOYSA-N 1 2 529.963 6.500 1 0 KKAFLO CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082155899 562740616 /nfs/dbraw/zinc/74/06/16/562740616.db2.gz ZMONTDJJZBNESO-MUUNZHRXSA-N 1 2 705.039 5.203 1 0 KKAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082157105 562740866 /nfs/dbraw/zinc/74/08/66/562740866.db2.gz XYTMDCINQPLNBN-JGCGQSQUSA-N 1 2 636.189 5.019 1 0 KKAFLO COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c([nH+]c5cc(Cl)cc(Cl)c53)CCCC4)oc2c1 ZINC000084596599 562743699 /nfs/dbraw/zinc/74/36/99/562743699.db2.gz BTFMFFRGSDLIRJ-UHFFFAOYSA-N 1 2 640.608 8.204 1 0 KKAFLO COc1cc(=O)c2c(O)cc(C(=O)NCCCCCCCCCCNc3c4c([nH+]c5cc(Cl)cc(Cl)c53)CCCC4)oc-2c1 ZINC000084596599 562743700 /nfs/dbraw/zinc/74/37/00/562743700.db2.gz BTFMFFRGSDLIRJ-UHFFFAOYSA-N 1 2 640.608 8.204 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084708789 562750240 /nfs/dbraw/zinc/75/02/40/562750240.db2.gz XTUYUCGJCJNQCG-UHFFFAOYSA-N 1 2 601.711 6.140 1 0 KKAFLO Nc1ccc(-c2cc(NCc3c[nH+]cn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679140 562753367 /nfs/dbraw/zinc/75/33/67/562753367.db2.gz KQUALQZWNNAERP-UHFFFAOYSA-N 1 2 563.730 8.736 1 0 KKAFLO Cc1ccc(-c2ccc(Cn3c[nH+]cc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)cc1 ZINC000085679246 562753370 /nfs/dbraw/zinc/75/33/70/562753370.db2.gz SNYYTFREKSWODQ-UHFFFAOYSA-N 1 2 562.742 9.463 1 0 KKAFLO c1csc(-c2ccc(Cn3c[nH+]cc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)c1 ZINC000085679180 562753387 /nfs/dbraw/zinc/75/33/87/562753387.db2.gz POQRMFHGRAASNK-UHFFFAOYSA-N 1 2 554.744 9.216 1 0 KKAFLO CCN1CC[NH+](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 562760153 /nfs/dbraw/zinc/76/01/53/562760153.db2.gz VXILBVIYBFDZND-VBTAUBHQSA-N 1 2 760.752 6.417 1 0 KKAFLO CC[NH+]1CCN(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 562760154 /nfs/dbraw/zinc/76/01/54/562760154.db2.gz VXILBVIYBFDZND-VBTAUBHQSA-N 1 2 760.752 6.417 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095569228 562767273 /nfs/dbraw/zinc/76/72/73/562767273.db2.gz IVNKSYFTCQFKFE-YHJOQWEYSA-N 1 2 646.810 5.040 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095569228 562767274 /nfs/dbraw/zinc/76/72/74/562767274.db2.gz IVNKSYFTCQFKFE-YHJOQWEYSA-N 1 2 646.810 5.040 1 0 KKAFLO COc1ccc(C[N@H+](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 562768222 /nfs/dbraw/zinc/76/82/22/562768222.db2.gz FGZYRMRERWZGKV-GTNJKRJXSA-N 1 2 614.665 5.710 1 0 KKAFLO COc1ccc(C[N@@H+](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 562768223 /nfs/dbraw/zinc/76/82/23/562768223.db2.gz FGZYRMRERWZGKV-GTNJKRJXSA-N 1 2 614.665 5.710 1 0 KKAFLO FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095570615 562768301 /nfs/dbraw/zinc/76/83/01/562768301.db2.gz SIOBYIKFQZWTNR-UBWSOHEKSA-N 1 2 526.607 5.497 3 0 KKAFLO COc1ccc(C[N@H+](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 562768405 /nfs/dbraw/zinc/76/84/05/562768405.db2.gz XGMQKVJTWVADHD-BYIYZAFRSA-N 1 2 714.826 7.286 1 0 KKAFLO COc1ccc(C[N@@H+](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 562768406 /nfs/dbraw/zinc/76/84/06/562768406.db2.gz XGMQKVJTWVADHD-BYIYZAFRSA-N 1 2 714.826 7.286 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095570713 562768411 /nfs/dbraw/zinc/76/84/11/562768411.db2.gz GDLSESYYEZMWDL-CAHKVJEUSA-N 1 2 697.799 6.167 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095570713 562768412 /nfs/dbraw/zinc/76/84/12/562768412.db2.gz GDLSESYYEZMWDL-CAHKVJEUSA-N 1 2 697.799 6.167 1 0 KKAFLO c1ccc(C[NH+](Cc2ccccc2)[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)cc1 ZINC000095570735 562768423 /nfs/dbraw/zinc/76/84/23/562768423.db2.gz SEELQFMPORHBDW-JGCGQSQUSA-N 1 2 540.627 5.774 3 0 KKAFLO Nc1[nH+]cccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000095574552 562770014 /nfs/dbraw/zinc/77/00/14/562770014.db2.gz UPHGVXCHTAFIFV-UHFFFAOYSA-N 1 2 515.552 5.196 1 0 KKAFLO Cc1[nH+]c2ccccc2n1CC(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000095576315 562770588 /nfs/dbraw/zinc/77/05/88/562770588.db2.gz QGBXSUVTQOBSQO-SSEXGKCCSA-N 1 2 512.629 6.016 1 0 KKAFLO Cc1cc(NCc2ccccc2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCc5ccccc5)cc(C)[nH+]4)cc3)cc2)n1 ZINC000095596500 562777010 /nfs/dbraw/zinc/77/70/10/562777010.db2.gz DMECKTGECTYDEG-UHFFFAOYSA-N 1 2 680.857 9.223 1 0 KKAFLO Cc1cc(N2CCOCC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(N5CCOCC5)cc(C)[nH+]4)cc3)cc2)n1 ZINC000095596597 562777049 /nfs/dbraw/zinc/77/70/49/562777049.db2.gz DZIWQXIMVLUYCX-UHFFFAOYSA-N 1 2 640.789 5.672 1 0 KKAFLO O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCC[NH+]4CCOCC4)cc2C3=O)ccc1F)c1ccccc1 ZINC000095597513 562777243 /nfs/dbraw/zinc/77/72/43/562777243.db2.gz MRINYURMSXQULP-UHFFFAOYSA-N 1 2 565.645 5.862 1 0 KKAFLO c1cc(C[N@@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@@H]3CCOC3)C2)n(-c2nccs2)c1 ZINC000095600053 562778554 /nfs/dbraw/zinc/77/85/54/562778554.db2.gz GHBPTIOCTACOSA-JOCHJYFZSA-N 1 2 530.675 5.773 1 0 KKAFLO c1cc(C[N@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@@H]3CCOC3)C2)n(-c2nccs2)c1 ZINC000095600053 562778555 /nfs/dbraw/zinc/77/85/55/562778555.db2.gz GHBPTIOCTACOSA-JOCHJYFZSA-N 1 2 530.675 5.773 1 0 KKAFLO c1cc(C[N@@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@H]3CCOC3)C2)n(-c2nccs2)c1 ZINC000095600054 562778566 /nfs/dbraw/zinc/77/85/66/562778566.db2.gz GHBPTIOCTACOSA-QFIPXVFZSA-N 1 2 530.675 5.773 1 0 KKAFLO c1cc(C[N@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@H]3CCOC3)C2)n(-c2nccs2)c1 ZINC000095600054 562778567 /nfs/dbraw/zinc/77/85/67/562778567.db2.gz GHBPTIOCTACOSA-QFIPXVFZSA-N 1 2 530.675 5.773 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600254 562778741 /nfs/dbraw/zinc/77/87/41/562778741.db2.gz CBAAPWVHONFTKW-KOVGSKFNSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600254 562778742 /nfs/dbraw/zinc/77/87/42/562778742.db2.gz CBAAPWVHONFTKW-KOVGSKFNSA-N 1 2 724.843 6.039 1 0 KKAFLO O=C(Nc1cccc(-c2ccccc2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095602645 562780146 /nfs/dbraw/zinc/78/01/46/562780146.db2.gz UVBWTPFWQVLREE-UHFFFAOYSA-N 1 2 519.689 6.742 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095603029 562780283 /nfs/dbraw/zinc/78/02/83/562780283.db2.gz UBMFRUBMXOVEAJ-ABGITXETSA-N 1 2 605.779 5.816 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095603029 562780284 /nfs/dbraw/zinc/78/02/84/562780284.db2.gz UBMFRUBMXOVEAJ-ABGITXETSA-N 1 2 605.779 5.816 1 0 KKAFLO CCCc1[nH+]c(CC)n2c1[C@@H](CCc1ccc(C(F)(F)F)cc1)N([C@@H](C(=O)NC)c1ccccc1)CC2 ZINC000095603223 562780430 /nfs/dbraw/zinc/78/04/30/562780430.db2.gz UCHOFKCDLMZEAO-AOYPEHQESA-N 1 2 512.620 5.894 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604021 562780847 /nfs/dbraw/zinc/78/08/47/562780847.db2.gz CBAAPWVHONFTKW-JTBGFZTISA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604021 562780848 /nfs/dbraw/zinc/78/08/48/562780848.db2.gz CBAAPWVHONFTKW-JTBGFZTISA-N 1 2 724.843 6.039 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@H](OC(=O)CC)C1CCCCC1)O[C@H](OC(=O)CC)C1CCCCC1 ZINC000095607872 562783219 /nfs/dbraw/zinc/78/32/19/562783219.db2.gz IEWXBPYCMKUMFE-MOMNCPDLSA-N 1 2 770.901 7.827 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095774315 562789023 /nfs/dbraw/zinc/78/90/23/562789023.db2.gz URUYPBZFUNKRKA-GMKFGHRTSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095774315 562789024 /nfs/dbraw/zinc/78/90/24/562789024.db2.gz URUYPBZFUNKRKA-GMKFGHRTSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095819243 562789222 /nfs/dbraw/zinc/78/92/22/562789222.db2.gz URUYPBZFUNKRKA-GSDPCRBASA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095819243 562789223 /nfs/dbraw/zinc/78/92/23/562789223.db2.gz URUYPBZFUNKRKA-GSDPCRBASA-N 1 2 673.898 5.485 1 0 KKAFLO Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)CCC[NH+]4CCCC4)cc3)nc12 ZINC000096167822 562790689 /nfs/dbraw/zinc/79/06/89/562790689.db2.gz GJBBZRRXBSSIPB-UHFFFAOYSA-N 1 2 572.518 6.016 1 0 KKAFLO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174077 562791617 /nfs/dbraw/zinc/79/16/17/562791617.db2.gz KGSRPKDNXHYJES-UHFFFAOYSA-N 1 2 513.605 5.011 1 0 KKAFLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174071 562791653 /nfs/dbraw/zinc/79/16/53/562791653.db2.gz VMEJRJQSGOUSGN-UHFFFAOYSA-N 1 2 543.631 5.020 1 0 KKAFLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174069 562791671 /nfs/dbraw/zinc/79/16/71/562791671.db2.gz WBXXAZPNWLKLJB-UHFFFAOYSA-N 1 2 527.632 5.320 1 0 KKAFLO O=C(Nc1nc2c(cccc2Cl)s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258272 562792870 /nfs/dbraw/zinc/79/28/70/562792870.db2.gz SBRNTRWUMVKRJA-UHFFFAOYSA-N 1 2 535.113 6.338 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2CCc2ccccc2)cc2c[nH]nc21 ZINC000096284729 562795288 /nfs/dbraw/zinc/79/52/88/562795288.db2.gz DYOQSWPYFLNPFD-HKBQPEDESA-N 1 2 602.743 5.816 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccc(F)cc2)cc2c[nH]nc21 ZINC000096284725 562795297 /nfs/dbraw/zinc/79/52/97/562795297.db2.gz ZZXHJYKDDQFFMU-PMERELPUSA-N 1 2 606.706 5.761 1 0 KKAFLO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@@H+](Cc2ccccc2)C3)cc2c[nH]nc21 ZINC000096284740 562795305 /nfs/dbraw/zinc/79/53/05/562795305.db2.gz LPDDLBQEATVADM-UUWRZZSWSA-N 1 2 641.776 6.225 1 0 KKAFLO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@H+](Cc2ccccc2)C3)cc2c[nH]nc21 ZINC000096284740 562795306 /nfs/dbraw/zinc/79/53/06/562795306.db2.gz LPDDLBQEATVADM-UUWRZZSWSA-N 1 2 641.776 6.225 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2cccc(F)c2)cc2c[nH]nc21 ZINC000096284724 562795341 /nfs/dbraw/zinc/79/53/41/562795341.db2.gz GUDFQCPDKMLBJC-SSEXGKCCSA-N 1 2 606.706 5.761 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccncc2)cc2c[nH]nc21 ZINC000096284747 562795349 /nfs/dbraw/zinc/79/53/49/562795349.db2.gz SLSVOTIQWAIHIU-LJAQVGFWSA-N 1 2 589.704 5.017 1 0 KKAFLO C[C@@H](Sc1cc(-c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285930 562795939 /nfs/dbraw/zinc/79/59/39/562795939.db2.gz SNHNCLBUYYFWMS-MRXNPFEDSA-N 1 2 549.499 5.380 1 0 KKAFLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2[nH+]ccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000096318660 562796573 /nfs/dbraw/zinc/79/65/73/562796573.db2.gz IAMBMGDQOUFIKG-UHFFFAOYSA-N 1 2 557.538 7.191 1 0 KKAFLO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc(C(=O)CCc3cccc4ccccc43)c2)CC1 ZINC000096892936 562796692 /nfs/dbraw/zinc/79/66/92/562796692.db2.gz FNKPBTWMGVIQGL-LJAQVGFWSA-N 1 2 508.662 5.526 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2cccc(-c3ccccc3)c2)cc1OC ZINC000096913901 562800423 /nfs/dbraw/zinc/80/04/23/562800423.db2.gz WQYALTWCZASJOH-GDLZYMKVSA-N 1 2 552.671 6.169 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2cccc(-c3ccccc3)c2)cc1OC ZINC000096913901 562800424 /nfs/dbraw/zinc/80/04/24/562800424.db2.gz WQYALTWCZASJOH-GDLZYMKVSA-N 1 2 552.671 6.169 1 0 KKAFLO CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)NCC[NH+]1CCOCC1)O2 ZINC000096914562 562800809 /nfs/dbraw/zinc/80/08/09/562800809.db2.gz JEZXYYGIRVQIJM-VHVPYYPQSA-N 1 2 607.880 6.123 1 0 KKAFLO COc1cc([C@H]2CC(c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000096921893 562801557 /nfs/dbraw/zinc/80/15/57/562801557.db2.gz HUJHGPWYGOEHOK-AREMUKBSSA-N 1 2 531.012 6.355 1 0 KKAFLO COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000096937493 562804228 /nfs/dbraw/zinc/80/42/28/562804228.db2.gz IOEYKTOUNLCPRA-WJOKGBTCSA-N 1 2 584.635 5.889 1 0 KKAFLO COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3ccc(I)cc32)cc1 ZINC000096937491 562804251 /nfs/dbraw/zinc/80/42/51/562804251.db2.gz BXPQHWCRILDSCP-WJOKGBTCSA-N 1 2 626.535 5.595 1 0 KKAFLO COc1cc(Cl)c(Cl)cc1OCC[N@@H+]1CCO[C@H](COc2cccc3[nH]c4ccccc4c32)C1 ZINC000096939985 562804884 /nfs/dbraw/zinc/80/48/84/562804884.db2.gz XOUYWGISTOHRTQ-KRWDZBQOSA-N 1 2 501.410 5.795 1 0 KKAFLO COc1cc(Cl)c(Cl)cc1OCC[N@H+]1CCO[C@H](COc2cccc3[nH]c4ccccc4c32)C1 ZINC000096939985 562804885 /nfs/dbraw/zinc/80/48/85/562804885.db2.gz XOUYWGISTOHRTQ-KRWDZBQOSA-N 1 2 501.410 5.795 1 0 KKAFLO C(CCNc1c2c3c(sc2[nH+]c2c1CCCC2)CCCC3)CNc1c2c3c(sc2nc2c1CCCC2)CCCC3 ZINC000098084170 562805584 /nfs/dbraw/zinc/80/55/84/562805584.db2.gz PJPFICFWZAOAQQ-UHFFFAOYSA-N 1 2 570.872 8.725 1 0 KKAFLO O[C@H](COc1cccc2ncccc21)CN1CC[NH+](C2c3ccccc3[C@H]3[C@H](c4ccccc42)C3(Cl)Cl)CC1 ZINC000101266372 562810079 /nfs/dbraw/zinc/81/00/79/562810079.db2.gz ISHQZWGKIWGKBX-NRAUDTLTSA-N 1 2 560.525 5.750 1 0 KKAFLO COc1cc2[nH+]cc(C(=O)NC3CC(C)(C)N(O)C(C)(C)C3)c(Nc3ccc(F)c(Cl)c3)c2cc1OC ZINC000101468776 562810835 /nfs/dbraw/zinc/81/08/35/562810835.db2.gz UYERHRWQQVHNFN-UHFFFAOYSA-N 1 2 530.020 5.885 1 0 KKAFLO C[C@@]1(O)C[C@H](c2[nH+]c(-c3ccc4c(c3)nc(-c3ccccc3)cc4Oc3ccccc3)c3c(N)nccn32)C1 ZINC000101688476 562811768 /nfs/dbraw/zinc/81/17/68/562811768.db2.gz RIQCSDFOELEOLO-ZFMMCZPJSA-N 1 2 513.601 6.614 1 0 KKAFLO CC[N@H+](CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)Cc1ccncc1 ZINC000101696410 562811922 /nfs/dbraw/zinc/81/19/22/562811922.db2.gz NVWNTIKICQGZNC-UHFFFAOYSA-N 1 2 604.732 6.520 1 0 KKAFLO CC[N@@H+](CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)Cc1ccncc1 ZINC000101696410 562811923 /nfs/dbraw/zinc/81/19/23/562811923.db2.gz NVWNTIKICQGZNC-UHFFFAOYSA-N 1 2 604.732 6.520 1 0 KKAFLO Cn1c2ccccc2n(CC(=O)N2CCc3ccc(Cl)cc3[C@@H]2Cc2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000101711559 562812004 /nfs/dbraw/zinc/81/20/04/562812004.db2.gz ISJQTNALVQPSJY-DEOSSOPVSA-N 1 2 513.856 5.788 1 0 KKAFLO Cc1cccc(OCc2ccccc2-c2nc(CN3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)c1 ZINC000103187467 562815472 /nfs/dbraw/zinc/81/54/72/562815472.db2.gz COGATKVDAKSRSB-UUWRZZSWSA-N 1 2 580.197 8.258 1 0 KKAFLO CCC(CC)C(=O)Nc1ccc(N2CC[NH+]([C@@H](C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 ZINC000103226321 562817764 /nfs/dbraw/zinc/81/77/64/562817764.db2.gz DCOYPMCEVNLQHK-AREMUKBSSA-N 1 2 500.634 5.071 1 0 KKAFLO O=C(c1cnccc1C(F)(F)F)N1CCC[C@](Oc2ccc(-c3ccccc3)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103260774 562821229 /nfs/dbraw/zinc/82/12/29/562821229.db2.gz VRUOIOQHPZWQNA-MGBGTMOVSA-N 1 2 615.656 5.565 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cn1 ZINC000103261553 562821448 /nfs/dbraw/zinc/82/14/48/562821448.db2.gz YCWCPQNALXFRJA-UHFFFAOYSA-N 1 2 603.605 5.826 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cc1 ZINC000103261579 562821476 /nfs/dbraw/zinc/82/14/76/562821476.db2.gz WLTVLOPBVWHKKL-UHFFFAOYSA-N 1 2 602.617 6.431 1 0 KKAFLO Nc1ccc(-c2cccc(Oc3ccc4c(c3)c(=O)ncn4Cc3c(F)cc(F)cc3F)c2C(F)(F)F)c[nH+]1 ZINC000103263172 562821729 /nfs/dbraw/zinc/82/17/29/562821729.db2.gz GIDRVYLVANYSDG-UHFFFAOYSA-N 1 2 542.439 6.317 1 0 KKAFLO Nc1ccc(S(=O)(=O)N(CCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2ccc(Cl)nn2)cc1 ZINC000103276503 562823209 /nfs/dbraw/zinc/82/32/09/562823209.db2.gz OVFWTFZODCKJQK-SSEXGKCCSA-N 1 2 611.599 5.358 1 0 KKAFLO COC(=O)[C@H](Cc1c[nH]c(-c2ccc(C(C)(C)C)cc2)[nH+]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000103298046 562824695 /nfs/dbraw/zinc/82/46/95/562824695.db2.gz UGFMTSWVBFGLND-SVBPBHIXSA-N 1 2 587.721 5.192 1 0 KKAFLO COC(=O)[C@H](Cc1c[nH+]c(-c2ccc(C(C)(C)C)cc2)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000103298046 562824696 /nfs/dbraw/zinc/82/46/96/562824696.db2.gz UGFMTSWVBFGLND-SVBPBHIXSA-N 1 2 587.721 5.192 1 0 KKAFLO CS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000114036866 562827123 /nfs/dbraw/zinc/82/71/23/562827123.db2.gz PFERMEMYEOBQSQ-KRWDZBQOSA-N 1 2 558.491 5.384 1 0 KKAFLO Cc1c(-c2cccc(=O)[nH]2)[nH+]c2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118094340 562830179 /nfs/dbraw/zinc/83/01/79/562830179.db2.gz WADVGIGEFXFHNL-UHFFFAOYSA-N 1 2 526.612 5.486 1 0 KKAFLO CN(C)c1nc(N[C@H]2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000140023367 562832848 /nfs/dbraw/zinc/83/28/48/562832848.db2.gz LDCMGLYXOOMRFQ-IYBDPMFKSA-N 1 2 588.450 5.059 1 0 KKAFLO Clc1cccc(C[NH+]2CCN(c3nc4ccccc4nc3Nc3ccc(Br)cc3)CC2)c1 ZINC000144175602 562835845 /nfs/dbraw/zinc/83/58/45/562835845.db2.gz WCPHDNTZHKVWCH-UHFFFAOYSA-N 1 2 508.851 6.112 1 0 KKAFLO C[N@H+](CCO)CNC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(O)CC1 ZINC000145519234 562837262 /nfs/dbraw/zinc/83/72/62/562837262.db2.gz SHNRQYGLEQIEQR-UHFFFAOYSA-N 1 2 575.713 5.444 1 0 KKAFLO C[N@@H+](CCO)CNC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(O)CC1 ZINC000145519234 562837263 /nfs/dbraw/zinc/83/72/63/562837263.db2.gz SHNRQYGLEQIEQR-UHFFFAOYSA-N 1 2 575.713 5.444 1 0 KKAFLO COc1ccc(CC2CCOCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000149641384 562842726 /nfs/dbraw/zinc/84/27/26/562842726.db2.gz ASNNDBRVNPWKRX-UHFFFAOYSA-N 1 2 561.708 5.214 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH+]2CCOCC2)C(=O)N[C@H](CCN(Cc2ccc(Cl)cc2)C(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150607081 562848049 /nfs/dbraw/zinc/84/80/49/562848049.db2.gz NFZMNPXRMSSCSR-LDNVYYCDSA-N 1 2 796.460 6.565 1 0 KKAFLO CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)NC[C@H]([C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OC(C)(C)C)[N@H+]1Cc1ccccc1 ZINC000150611162 562848399 /nfs/dbraw/zinc/84/83/99/562848399.db2.gz CLUWMJXDXGTOBC-FLPLPDKSSA-N 1 2 719.924 6.925 1 0 KKAFLO CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)NC[C@H]([C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OC(C)(C)C)[N@@H+]1Cc1ccccc1 ZINC000150611162 562848400 /nfs/dbraw/zinc/84/84/00/562848400.db2.gz CLUWMJXDXGTOBC-FLPLPDKSSA-N 1 2 719.924 6.925 1 0 KKAFLO Cn1c2cc(N3CCC[C@H](C(F)(F)F)C3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165376941 562850150 /nfs/dbraw/zinc/85/01/50/562850150.db2.gz DCSQPSMZXHECTE-KRWDZBQOSA-N 1 2 695.536 7.747 1 0 KKAFLO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[NH+]4CCOCC4)c3)CC2)cs1 ZINC000167363479 562850779 /nfs/dbraw/zinc/85/07/79/562850779.db2.gz PMZUGYSCCVZJQF-WMPKNSHKSA-N 1 2 645.757 5.454 1 0 KKAFLO O[C@H](c1ccccc1)[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330919 562858819 /nfs/dbraw/zinc/85/88/19/562858819.db2.gz KTWPPHPCLMIACC-ROJLCIKYSA-N 1 2 513.081 6.512 1 0 KKAFLO Cc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc1 ZINC000169334388 562859494 /nfs/dbraw/zinc/85/94/94/562859494.db2.gz WTDCITYAOVFRGK-HKBQPEDESA-N 1 2 583.783 5.770 1 0 KKAFLO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)n1 ZINC000169341142 562860717 /nfs/dbraw/zinc/86/07/17/562860717.db2.gz OXUOCONQLHMIAW-UHFFFAOYSA-N 1 2 646.796 5.382 1 0 KKAFLO CCCc1cc(=O)oc2c(C(=O)CC)c(N3CC[NH+](Cc4ccc(F)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342053 562860943 /nfs/dbraw/zinc/86/09/43/562860943.db2.gz SCRFTYRGNFWUJE-UHFFFAOYSA-N 1 2 518.629 5.984 1 0 KKAFLO O=C(OC[C@@H](C1CCCCC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353027 562863360 /nfs/dbraw/zinc/86/33/60/562863360.db2.gz AJAQIANGNZBUMV-BHVANESWSA-N 1 2 643.857 8.744 1 0 KKAFLO O=C(OC[C@H](C1CCCCC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353028 562863368 /nfs/dbraw/zinc/86/33/68/562863368.db2.gz AJAQIANGNZBUMV-PSXMRANNSA-N 1 2 643.857 8.744 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CCC(F)(F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700928 562867835 /nfs/dbraw/zinc/86/78/35/562867835.db2.gz YNOQRNFBCBJGDF-UHFFFAOYSA-N 1 2 717.611 8.372 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@@H]4C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700933 562867841 /nfs/dbraw/zinc/86/78/41/562867841.db2.gz JESLHCQDSFVTAD-KDURUIRLSA-N 1 2 689.566 7.893 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701031 562867917 /nfs/dbraw/zinc/86/79/17/562867917.db2.gz MQNMECUPRXKDNQ-UHFFFAOYSA-N 1 2 685.937 7.878 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703123 562868620 /nfs/dbraw/zinc/86/86/20/562868620.db2.gz VKOFRONYZNHXPK-UHFFFAOYSA-N 1 2 610.411 6.222 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NCCC3CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703110 562868634 /nfs/dbraw/zinc/86/86/34/562868634.db2.gz KCAQBYCQXBRDDM-UHFFFAOYSA-N 1 2 596.506 6.460 1 0 KKAFLO CC(C)COC(=O)Nc1nc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)ncc1F ZINC000169704716 562869107 /nfs/dbraw/zinc/86/91/07/562869107.db2.gz VCMCSGGIBKJGPQ-UHFFFAOYSA-N 1 2 545.497 5.486 1 0 KKAFLO Cc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000195256614 562871612 /nfs/dbraw/zinc/87/16/12/562871612.db2.gz WWTTXMQTJXMGQM-UHFFFAOYSA-N 1 2 543.744 5.234 1 0 KKAFLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(F)c(N3CCC(c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH+]4)CC3)c(F)c2)c[nH]1)C(C)C ZINC000202702633 562873812 /nfs/dbraw/zinc/87/38/12/562873812.db2.gz QXMYDDOTYOEQQZ-YDPTYEFTSA-N 1 2 781.906 5.550 1 0 KKAFLO COc1cc[nH+]cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224084327 562880286 /nfs/dbraw/zinc/88/02/86/562880286.db2.gz MIGFPEUHNSPEGD-HHHXNRCGSA-N 1 2 521.448 7.073 1 0 KKAFLO O=S(=O)(Nc1ccncn1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2C2CC[NH2+]CC2)c1 ZINC000225048866 562880662 /nfs/dbraw/zinc/88/06/62/562880662.db2.gz LGPYGYPBHSRMHH-UHFFFAOYSA-N 1 2 512.557 5.583 1 0 KKAFLO O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000253638893 562882510 /nfs/dbraw/zinc/88/25/10/562882510.db2.gz AILRYHWCZLVQIS-HYPZGNBFSA-N 1 2 629.645 7.227 1 0 KKAFLO O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000253638893 562882511 /nfs/dbraw/zinc/88/25/11/562882511.db2.gz AILRYHWCZLVQIS-HYPZGNBFSA-N 1 2 629.645 7.227 1 0 KKAFLO [NH2+]=c1n(CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000299825028 562883468 /nfs/dbraw/zinc/88/34/68/562883468.db2.gz UXZRUVQJSAOCLD-UHFFFAOYSA-N 1 2 538.479 5.047 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000299846946 562889760 /nfs/dbraw/zinc/88/97/60/562889760.db2.gz MYYGEJVPSZKSFV-DSNGMDLFSA-N 1 2 525.774 7.769 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859469 562892711 /nfs/dbraw/zinc/89/27/11/562892711.db2.gz XTAWWFMNDKGXAZ-QFIPXVFZSA-N 1 2 512.044 6.170 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859469 562892712 /nfs/dbraw/zinc/89/27/12/562892712.db2.gz XTAWWFMNDKGXAZ-QFIPXVFZSA-N 1 2 512.044 6.170 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@H+](Cc3ccc(-c4ccccc4)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473100625 562898044 /nfs/dbraw/zinc/89/80/44/562898044.db2.gz IRPIJFJBBUPIIT-IFEIANSXSA-N 1 2 525.733 7.063 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473100625 562898045 /nfs/dbraw/zinc/89/80/45/562898045.db2.gz IRPIJFJBBUPIIT-IFEIANSXSA-N 1 2 525.733 7.063 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@H+](CCc3ccc(C(F)(F)F)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473102991 562898108 /nfs/dbraw/zinc/89/81/08/562898108.db2.gz MYYWQTHYACKVEK-FOSHRBNYSA-N 1 2 531.659 6.457 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@@H+](CCc3ccc(C(F)(F)F)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473102991 562898109 /nfs/dbraw/zinc/89/81/09/562898109.db2.gz MYYWQTHYACKVEK-FOSHRBNYSA-N 1 2 531.659 6.457 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)C2CCCCC2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000473115265 562899009 /nfs/dbraw/zinc/89/90/09/562899009.db2.gz RBLHYUSDMMXIOI-ZTJXOPACSA-N 1 2 708.893 5.773 1 0 KKAFLO COc1ccc(C[NH+]2CCN(CC(=O)c3ccc(OC(C)C)c(-n4c(CN5CCN(C(=O)COc6ccc(Cl)cc6)CC5)nc5ccccc5c4=O)c3)CC2)cc1 ZINC000473152693 562901838 /nfs/dbraw/zinc/90/18/38/562901838.db2.gz VJIFJRFEVYRTPP-UHFFFAOYSA-N 1 2 793.365 5.559 1 0 KKAFLO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CCC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc32)CC1 ZINC000473194459 562903658 /nfs/dbraw/zinc/90/36/58/562903658.db2.gz HYEYWAKGTJERII-RUCARUNLSA-N 1 2 527.496 6.246 1 0 KKAFLO CS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473197852 562903721 /nfs/dbraw/zinc/90/37/21/562903721.db2.gz HXDCFOHXURLZAS-IRJFHVNHSA-N 1 2 548.536 5.806 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653694229 562906944 /nfs/dbraw/zinc/90/69/44/562906944.db2.gz RLJXWYMANSDHRA-UHFFFAOYSA-N 1 2 628.737 5.759 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1OCc1cccc(C(F)(F)F)c1)Cc1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000653694245 562906971 /nfs/dbraw/zinc/90/69/71/562906971.db2.gz VYJPZIWXGCNAGC-LJAQVGFWSA-N 1 2 646.628 7.686 1 0 KKAFLO O=C(COc1ccc(Br)cc1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000653726731 562909186 /nfs/dbraw/zinc/90/91/86/562909186.db2.gz XKYLWMYIXLPHKH-UHFFFAOYSA-N 1 2 501.371 5.040 1 0 KKAFLO CC(=O)Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCN(C(C)=O)CC2)c(C(F)(F)F)c1 ZINC000653735707 562909653 /nfs/dbraw/zinc/90/96/53/562909653.db2.gz ZGSZKDYWZISGLU-UHFFFAOYSA-N 1 2 598.629 6.261 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCN(CC[NH+]7CCOCC7)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653752851 562910721 /nfs/dbraw/zinc/91/07/21/562910721.db2.gz AHMGIBDZNJAKJJ-SANMLTNESA-N 1 2 618.786 5.591 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 ZINC000653755894 562910932 /nfs/dbraw/zinc/91/09/32/562910932.db2.gz CYLYUXCOVSTOPH-AREMUKBSSA-N 1 2 523.000 5.068 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=[NH+]1 ZINC000653757807 562911129 /nfs/dbraw/zinc/91/11/29/562911129.db2.gz DTIXMTFOWDEUBO-MHZLTWQESA-N 1 2 615.923 6.158 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C(C)C)[NH+]=C3N=CNN32)cc1 ZINC000653758662 562911154 /nfs/dbraw/zinc/91/11/54/562911154.db2.gz PHOMDVXTKVXMDO-MUUNZHRXSA-N 1 2 595.505 5.813 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C(C)C)[NH+]=C3N=CNN32)cc1 ZINC000653758677 562911170 /nfs/dbraw/zinc/91/11/70/562911170.db2.gz PSYYEPCJBNYYRI-GDLZYMKVSA-N 1 2 530.636 5.359 1 0 KKAFLO COc1cccc(COc2ccccc2C[NH+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccc2OCc2cccc(OC)c2)c1 ZINC000653760824 562911292 /nfs/dbraw/zinc/91/12/92/562911292.db2.gz DVPGIFOQXACXCT-HKBQPEDESA-N 1 2 570.686 5.666 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1OCc1ccccc1Cl)Cc1ccccc1OCc1ccccc1Cl)C(=O)[O-] ZINC000653760931 562911313 /nfs/dbraw/zinc/91/13/13/562911313.db2.gz NKBSZKYQLRWUMB-LJAQVGFWSA-N 1 2 579.524 6.956 1 0 KKAFLO Cc1ccccc1COc1ccccc1C[NH+](CC[C@H]([NH3+])C(=O)[O-])Cc1ccccc1OCc1ccccc1C ZINC000653761917 562911394 /nfs/dbraw/zinc/91/13/94/562911394.db2.gz SAOIMXXQDOZOLG-HKBQPEDESA-N 1 2 538.688 6.266 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653773265 562911887 /nfs/dbraw/zinc/91/18/87/562911887.db2.gz UPRKHNRGBDTKKR-UHFFFAOYSA-N 1 2 584.684 5.708 1 0 KKAFLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653780767 562912130 /nfs/dbraw/zinc/91/21/30/562912130.db2.gz KAWWWRWLYUTSNJ-UHFFFAOYSA-N 1 2 522.531 5.868 1 0 KKAFLO Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(Nc3ccc([NH+]4CCC(O)CC4)cc3)nc21 ZINC000653790429 562912578 /nfs/dbraw/zinc/91/25/78/562912578.db2.gz HHBDQFLZIWRDQU-UHFFFAOYSA-N 1 2 512.397 5.132 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653794419 562912923 /nfs/dbraw/zinc/91/29/23/562912923.db2.gz MXZYBBSSVNYVMP-UHFFFAOYSA-N 1 2 563.580 6.179 1 0 KKAFLO O=C(Nc1ccc(COc2ccc3nc(NCC[NH+]4CCOCC4)oc3c2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000653830138 562914560 /nfs/dbraw/zinc/91/45/60/562914560.db2.gz OSHCDJSNXXYENQ-UHFFFAOYSA-N 1 2 556.450 6.102 1 0 KKAFLO CC[C@H](O)[C@H](CCCO)Oc1cc(O)cc2oc(-c3cc(Cc4cccc(C[NH2+]C)c4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569372 565145373 /nfs/dbraw/zinc/14/53/73/565145373.db2.gz SOLBCZCETKIGNE-NSOVKSMOSA-N 1 2 605.728 5.376 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)C=C(O)CCCCCCCCCO)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631525 565164596 /nfs/dbraw/zinc/16/45/96/565164596.db2.gz VHSKCTZPIQHEMZ-JUKUECOXSA-N 1 2 616.779 5.446 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(O)=CC(=O)CCCCCCCCCO)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631525 565164599 /nfs/dbraw/zinc/16/45/99/565164599.db2.gz VHSKCTZPIQHEMZ-JUKUECOXSA-N 1 2 616.779 5.446 1 0 biogenic,in-vitro KKAFLO COc1c(O)c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c2oc(-c3ccc(O)cc3)cc(O)c-2c1=O ZINC000103533113 565194619 /nfs/dbraw/zinc/19/46/19/565194619.db2.gz IVWCEWKZNXUDLD-UHFFFAOYSA-N 1 2 634.753 6.393 1 0 biogenic,in-vitro KKAFLO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c1=O ZINC000103533113 565194623 /nfs/dbraw/zinc/19/46/23/565194623.db2.gz IVWCEWKZNXUDLD-UHFFFAOYSA-N 1 2 634.753 6.393 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C(Cc3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571208 291919335 /nfs/dbraw/zinc/91/93/35/291919335.db2.gz HEAIYPVFTBXAFK-RJIIZOSSSA-N 1 2 540.704 6.888 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)C(=O)O/C4=C\CCC3CCCCC3)[C@@H]21 ZINC000085571203 291920211 /nfs/dbraw/zinc/92/02/11/291920211.db2.gz DRMHBSIVOHIFAH-UZULRSAJSA-N 1 2 663.815 6.744 1 0 biogenic,in-vitro KKAFLO CCC[C@@H]1[C@@]2(OC(=O)c3c2cccc3CCC[NH3+])[C@@]23CCC4=C(CC[C@H]5[C@H](C)CC=C[C@@H]45)[C@@]12C(=O)O/C3=C\CCC1CCCC1 ZINC000085531945 291938617 /nfs/dbraw/zinc/93/86/17/291938617.db2.gz PARMAACYISKXTN-KVHGFGMXSA-N 1 2 609.851 8.470 1 0 biogenic,in-vitro KKAFLO COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)[C@H](CCn2cc[nH+]c2)Cc2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568204 291975450 /nfs/dbraw/zinc/97/54/50/291975450.db2.gz UDSFEIZEKAOESM-JKVWLUEKSA-O 1 2 619.738 5.950 1 0 biogenic,in-vitro KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(F)cc4)cc3F)c2cc1OC ZINC000001491421 561676418 /nfs/dbraw/zinc/67/64/18/561676418.db2.gz YJIZELWCARRLSX-UHFFFAOYSA-N 1 2 509.534 5.378 1 0 KKAFLO COc1cc2c(cc1OC[C@H](O)C[NH+]1CCOCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000003915858 561684931 /nfs/dbraw/zinc/68/49/31/561684931.db2.gz ZQFOUXRMQZZLKL-AREMUKBSSA-N 1 2 557.691 6.149 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000003948322 561690125 /nfs/dbraw/zinc/69/01/25/561690125.db2.gz HDGVZUWMGHDPLU-DGPALRBDSA-N 1 2 669.068 5.117 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000013441437 561712752 /nfs/dbraw/zinc/71/27/52/561712752.db2.gz XGBXESVSCSHHQI-LJQANCHMSA-N 1 2 506.093 5.347 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000013441437 561712754 /nfs/dbraw/zinc/71/27/54/561712754.db2.gz XGBXESVSCSHHQI-LJQANCHMSA-N 1 2 506.093 5.347 1 0 KKAFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2 ZINC000013489484 561715919 /nfs/dbraw/zinc/71/59/19/561715919.db2.gz JJQTVXNPRRSENU-MUUNZHRXSA-N 1 2 502.401 5.549 1 0 KKAFLO Cc1c(C(=O)N2CC[NH+](C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 ZINC000013679560 561724515 /nfs/dbraw/zinc/72/45/15/561724515.db2.gz BTBRIBNOCKJURD-UHFFFAOYSA-N 1 2 508.247 5.305 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CC2CCCCC2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743386 561726482 /nfs/dbraw/zinc/72/64/82/561726482.db2.gz PGWSXNGQPHJZDH-DIBXZPPDSA-N 1 2 534.701 6.046 1 0 KKAFLO CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943513 561741840 /nfs/dbraw/zinc/74/18/40/561741840.db2.gz ZNEZCXJJIUHKKH-UEACAHGMSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943513 561741842 /nfs/dbraw/zinc/74/18/42/561741842.db2.gz ZNEZCXJJIUHKKH-UEACAHGMSA-N 1 2 626.754 6.421 1 0 KKAFLO CNc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C4CCCCC4)ccc3OC)ccc2C)cc[nH+]1 ZINC000014957251 561747911 /nfs/dbraw/zinc/74/79/11/561747911.db2.gz XKBVARCCCUFGJS-UHFFFAOYSA-N 1 2 522.649 7.595 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@H+](C)CCO)c1Cl ZINC000014963054 561748777 /nfs/dbraw/zinc/74/87/77/561748777.db2.gz WRWKTYIUPHVUDP-UHFFFAOYSA-N 1 2 543.860 5.041 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@@H+](C)CCO)c1Cl ZINC000014963054 561748778 /nfs/dbraw/zinc/74/87/78/561748778.db2.gz WRWKTYIUPHVUDP-UHFFFAOYSA-N 1 2 543.860 5.041 1 0 KKAFLO CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=[NH+]CCO1 ZINC000014963105 561748780 /nfs/dbraw/zinc/74/87/80/561748780.db2.gz FJRVGBKCMMRPKF-UHFFFAOYSA-N 1 2 582.897 5.825 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@H+](C)CCCO)c1Cl ZINC000014963058 561748800 /nfs/dbraw/zinc/74/88/00/561748800.db2.gz JEQVXUZFFUSIEJ-UHFFFAOYSA-N 1 2 557.887 5.431 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@@H+](C)CCCO)c1Cl ZINC000014963058 561748802 /nfs/dbraw/zinc/74/88/02/561748802.db2.gz JEQVXUZFFUSIEJ-UHFFFAOYSA-N 1 2 557.887 5.431 1 0 KKAFLO O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017544772 561755521 /nfs/dbraw/zinc/75/55/21/561755521.db2.gz QBZOTSSZPAPGMK-SUYBVONHSA-N 1 2 610.629 5.202 3 0 KKAFLO COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH+](Cc1cccc(OCc2ccccc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000026152813 561767800 /nfs/dbraw/zinc/76/78/00/561767800.db2.gz WKQQMGOOJUVMPY-QNGWXLTQSA-N 1 2 652.832 8.083 1 0 KKAFLO O=S(=O)(c1cccc2cccnc21)N1Cc2ccccc2N(Cc2c[nH+]c[nH]2)[C@H](CCc2ccccc2)C1 ZINC000025983319 561764019 /nfs/dbraw/zinc/76/40/19/561764019.db2.gz ZIZPPVVMLFRSCK-HHHXNRCGSA-N 1 2 523.662 5.170 1 0 KKAFLO O=S(=O)(c1cccc2cccnc21)N1Cc2ccccc2N(Cc2c[nH]c[nH+]2)[C@H](CCc2ccccc2)C1 ZINC000025983319 561764021 /nfs/dbraw/zinc/76/40/21/561764021.db2.gz ZIZPPVVMLFRSCK-HHHXNRCGSA-N 1 2 523.662 5.170 1 0 KKAFLO COC(=O)[C@H](CCCCNS(C)(=O)=O)[NH+](C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026154201 561768082 /nfs/dbraw/zinc/76/80/82/561768082.db2.gz JHCBNGOFAIWQLW-LMDMZCGGSA-N 1 2 654.829 7.561 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C1CCCCC1 ZINC000026382893 561783654 /nfs/dbraw/zinc/78/36/54/561783654.db2.gz NNBHDRJEVSYTPI-WSZLSEGOSA-N 1 2 611.835 6.436 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C1CCCCC1 ZINC000026382893 561783656 /nfs/dbraw/zinc/78/36/56/561783656.db2.gz NNBHDRJEVSYTPI-WSZLSEGOSA-N 1 2 611.835 6.436 1 0 KKAFLO CN1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)[NH+]=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026575447 561799148 /nfs/dbraw/zinc/79/91/48/561799148.db2.gz KXEWJEHLSYDHHW-QHCPKHFHSA-N 1 2 504.439 5.473 1 0 KKAFLO CC(C)N1CCN(CC[NH+]2CCN([C@H]3C[C@@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000026662773 561810622 /nfs/dbraw/zinc/81/06/22/561810622.db2.gz MNGBFDADKNTDGN-AHWVRZQESA-N 1 2 501.502 5.334 1 0 KKAFLO O=C1N(CCN2CC[NH+]([C@@H]3C[C@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668414 561811799 /nfs/dbraw/zinc/81/17/99/561811799.db2.gz IYXNMOCEVXJKKO-XRKRLSELSA-N 1 2 519.064 5.616 1 0 KKAFLO O=C1N(CC[NH+]2CCN([C@@H]3C[C@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668414 561811800 /nfs/dbraw/zinc/81/18/00/561811800.db2.gz IYXNMOCEVXJKKO-XRKRLSELSA-N 1 2 519.064 5.616 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)NCCc1ccccc1 ZINC000026819208 561820858 /nfs/dbraw/zinc/82/08/58/561820858.db2.gz JOMJUWAAYRJJBC-DHUJRADRSA-N 1 2 645.760 5.214 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)NCCc1ccccc1 ZINC000026819208 561820860 /nfs/dbraw/zinc/82/08/60/561820860.db2.gz JOMJUWAAYRJJBC-DHUJRADRSA-N 1 2 645.760 5.214 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026956094 561829220 /nfs/dbraw/zinc/82/92/20/561829220.db2.gz FJGKVFWXFGAENH-PXDATVDWSA-N 1 2 559.585 5.799 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026956094 561829221 /nfs/dbraw/zinc/82/92/21/561829221.db2.gz FJGKVFWXFGAENH-PXDATVDWSA-N 1 2 559.585 5.799 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026956106 561829239 /nfs/dbraw/zinc/82/92/39/561829239.db2.gz FJGKVFWXFGAENH-SQJMNOBHSA-N 1 2 559.585 5.799 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026956106 561829240 /nfs/dbraw/zinc/82/92/40/561829240.db2.gz FJGKVFWXFGAENH-SQJMNOBHSA-N 1 2 559.585 5.799 1 0 KKAFLO CC[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995061 561833066 /nfs/dbraw/zinc/83/30/66/561833066.db2.gz HWLKYGTXYNWEPH-GOJCVTOHSA-N 1 2 673.814 6.165 1 0 KKAFLO CC[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995061 561833067 /nfs/dbraw/zinc/83/30/67/561833067.db2.gz HWLKYGTXYNWEPH-GOJCVTOHSA-N 1 2 673.814 6.165 1 0 KKAFLO CCC[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995041 561833098 /nfs/dbraw/zinc/83/30/98/561833098.db2.gz HOBCNABKXVPKMF-LFGICVIVSA-N 1 2 687.841 6.555 1 0 KKAFLO CCC[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995041 561833100 /nfs/dbraw/zinc/83/31/00/561833100.db2.gz HOBCNABKXVPKMF-LFGICVIVSA-N 1 2 687.841 6.555 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026998119 561833698 /nfs/dbraw/zinc/83/36/98/561833698.db2.gz SJZGJLYNRZRTHV-JTZWTTIBSA-N 1 2 693.914 6.136 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026998119 561833700 /nfs/dbraw/zinc/83/37/00/561833700.db2.gz SJZGJLYNRZRTHV-JTZWTTIBSA-N 1 2 693.914 6.136 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2cccc(C)c2)cc1-c1ccccc1 ZINC000027518482 561862438 /nfs/dbraw/zinc/86/24/38/561862438.db2.gz PKDVGFDBSOHUCZ-LJAQVGFWSA-N 1 2 542.705 5.543 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027524251 561865515 /nfs/dbraw/zinc/86/55/15/561865515.db2.gz WUKXZOCQXYQOQX-UHFFFAOYSA-N 1 2 578.943 7.223 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027524251 561865516 /nfs/dbraw/zinc/86/55/16/561865516.db2.gz WUKXZOCQXYQOQX-UHFFFAOYSA-N 1 2 578.943 7.223 1 0 KKAFLO S=C(NCCCc1c[nH+]c[nH]1)NCCCN(Cc1cccc2ccccc21)c1ccc(Br)cn1 ZINC000027525513 561865976 /nfs/dbraw/zinc/86/59/76/561865976.db2.gz DSZPBHJWOKFYBU-UHFFFAOYSA-N 1 2 537.531 5.214 1 0 KKAFLO S=C(NCCCc1c[nH]c[nH+]1)NCCCN(Cc1cccc2ccccc21)c1ccc(Br)cn1 ZINC000027525513 561865977 /nfs/dbraw/zinc/86/59/77/561865977.db2.gz DSZPBHJWOKFYBU-UHFFFAOYSA-N 1 2 537.531 5.214 1 0 KKAFLO O=C(Nc1ccc(Oc2ccnc(C(=O)NCC[NH+]3CCOCC3)c2)cc1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000027873125 561888330 /nfs/dbraw/zinc/88/83/30/561888330.db2.gz NIIUVDFIMVKSQT-UHFFFAOYSA-N 1 2 608.415 5.361 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CC[NH+]([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027996118 561893881 /nfs/dbraw/zinc/89/38/81/561893881.db2.gz WOZFIAXXAOZQSD-LYZGTLIUSA-N 1 2 539.120 5.104 1 0 KKAFLO O=S(=O)(c1ccc(OC2CC[NH+](C3CCN(S(=O)(=O)c4cccc5ccccc54)CC3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000027998911 561894294 /nfs/dbraw/zinc/89/42/94/561894294.db2.gz OGBJUHPLNYLYRL-UHFFFAOYSA-N 1 2 634.776 5.098 1 0 KKAFLO O=C(Cc1ccc(Br)cc1)N1CC[NH+]([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027999183 561894445 /nfs/dbraw/zinc/89/44/45/561894445.db2.gz DNMVTJNZEPUZGW-AREMUKBSSA-N 1 2 510.863 5.072 1 0 KKAFLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)CC1 ZINC000028100413 561901559 /nfs/dbraw/zinc/90/15/59/561901559.db2.gz JOSHHTVMOLVJCW-XMMPIXPASA-N 1 2 582.623 5.126 1 0 KKAFLO CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028331548 561912837 /nfs/dbraw/zinc/91/28/37/561912837.db2.gz KZRCWZJRCYMXFF-UHFFFAOYSA-N 1 2 630.531 5.896 1 0 KKAFLO CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028333679 561913087 /nfs/dbraw/zinc/91/30/87/561913087.db2.gz KENQBAJESGJICP-UHFFFAOYSA-N 1 2 580.449 6.005 1 0 KKAFLO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028233332 561909359 /nfs/dbraw/zinc/90/93/59/561909359.db2.gz HNGKQKBNYUXDJL-MAJWKWKESA-N 1 2 588.761 5.590 1 0 KKAFLO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028233332 561909360 /nfs/dbraw/zinc/90/93/60/561909360.db2.gz HNGKQKBNYUXDJL-MAJWKWKESA-N 1 2 588.761 5.590 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@H]2COc2ccc3ccccc3c2)cc1 ZINC000028525496 561931335 /nfs/dbraw/zinc/93/13/35/561931335.db2.gz YNZFVUGNLOWSTD-NDEPHWFRSA-N 1 2 526.633 5.218 1 0 KKAFLO CCCCO[C@H]1Sc2ccc([C@H](Cn3cc[nH+]c3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530615 561934860 /nfs/dbraw/zinc/93/48/60/561934860.db2.gz YWSXPTSTTCVWOH-OFVILXPXSA-N 1 2 500.020 5.346 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028567855 561937012 /nfs/dbraw/zinc/93/70/12/561937012.db2.gz HDGVZUWMGHDPLU-PQHLKRTFSA-N 1 2 669.068 5.117 1 0 KKAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000028572365 561940059 /nfs/dbraw/zinc/94/00/59/561940059.db2.gz HQDNURJWABRGRP-MHZLTWQESA-N 1 2 506.528 5.825 1 0 KKAFLO CC(=O)Nc1cccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5cccc(NC(C)=O)c5)c3)C4)ccn2)c1 ZINC000028707573 561950079 /nfs/dbraw/zinc/95/00/79/561950079.db2.gz HFVHDYXALWEPRI-MEKGRNQZSA-N 1 2 560.702 5.576 1 0 KKAFLO CC(=O)Nc1cccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5cccc(NC(C)=O)c5)c3)C4)ccn2)c1 ZINC000028707573 561950081 /nfs/dbraw/zinc/95/00/81/561950081.db2.gz HFVHDYXALWEPRI-MEKGRNQZSA-N 1 2 560.702 5.576 1 0 KKAFLO CCCCCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713059 561953740 /nfs/dbraw/zinc/95/37/40/561953740.db2.gz GEPSCWZNTGZWFP-MGBGTMOVSA-N 1 2 606.693 5.390 1 0 KKAFLO COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028768039 561960282 /nfs/dbraw/zinc/96/02/82/561960282.db2.gz ORBPWQNCOJLACE-UHFFFAOYSA-N 1 2 542.583 5.517 1 0 KKAFLO CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028768888 561960576 /nfs/dbraw/zinc/96/05/76/561960576.db2.gz SJQGUIRFPZLYEX-UHFFFAOYSA-N 1 2 554.594 5.363 1 0 KKAFLO Cn1c[nH+]c(CN2C[C@H](N(CC3CCN(C(=O)OC(C)(C)C)CC3)S(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816090 561963942 /nfs/dbraw/zinc/96/39/42/561963942.db2.gz HGTAPIYMBOBBQP-JGCGQSQUSA-N 1 2 656.853 5.751 1 0 KKAFLO CCCN(CCCCCCn1c(C)[nH+]c(-c2ccccc2)c1-c1ccccc1)C(=O)Oc1ccccc1F ZINC000028821693 561966640 /nfs/dbraw/zinc/96/66/40/561966640.db2.gz XHQZICQEPDSWTD-UHFFFAOYSA-N 1 2 513.657 8.136 1 0 KKAFLO Cc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@@H](NC(=O)Oc1ccccc1F)c1ccccc1 ZINC000028821690 561966644 /nfs/dbraw/zinc/96/66/44/561966644.db2.gz LVGPJSBRMDHIRR-WJOKGBTCSA-N 1 2 547.674 8.755 1 0 KKAFLO Cn1cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cn1 ZINC000028899840 561979650 /nfs/dbraw/zinc/97/96/50/561979650.db2.gz IMTTUCLAGNXNLX-UHFFFAOYSA-N 1 2 564.694 5.595 1 0 KKAFLO CN(C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000028949698 561980710 /nfs/dbraw/zinc/98/07/10/561980710.db2.gz DSRLBJZTBBAOST-HSZRJFAPSA-N 1 2 513.642 5.274 1 0 KKAFLO CN(C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000028949698 561980711 /nfs/dbraw/zinc/98/07/11/561980711.db2.gz DSRLBJZTBBAOST-HSZRJFAPSA-N 1 2 513.642 5.274 1 0 KKAFLO COc1cccc(-c2c(C3CCCCC3)c3ccc(-c4nc(=O)o[nH]4)cc3n2CC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000028949692 561980792 /nfs/dbraw/zinc/98/07/92/561980792.db2.gz JVDMFJAMWOVIFZ-UHFFFAOYSA-N 1 2 557.695 5.261 1 0 KKAFLO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000029126589 561998769 /nfs/dbraw/zinc/99/87/69/561998769.db2.gz NDJIGWBGLINRRI-UHFFFAOYSA-N 1 2 540.664 5.164 1 0 KKAFLO Cc1nc2cc3c(c(Br)c2o1)CC[N@H+](CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127169 561999548 /nfs/dbraw/zinc/99/95/48/561999548.db2.gz USKZVJAZXRLUHK-UHFFFAOYSA-N 1 2 563.525 5.744 1 0 KKAFLO Cc1nc2cc3c(c(Br)c2o1)CC[N@@H+](CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127169 561999549 /nfs/dbraw/zinc/99/95/49/561999549.db2.gz USKZVJAZXRLUHK-UHFFFAOYSA-N 1 2 563.525 5.744 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3F)c2cc1OC ZINC000029134678 562004192 /nfs/dbraw/zinc/00/41/92/562004192.db2.gz ZNNAAXZOLAOTRD-UHFFFAOYSA-N 1 2 502.929 7.242 1 0 KKAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1 ZINC000029343327 562015761 /nfs/dbraw/zinc/01/57/61/562015761.db2.gz SUPOWGINMOGKBY-JDIHBLRXSA-N 1 2 679.928 5.684 1 0 KKAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1 ZINC000029343327 562015763 /nfs/dbraw/zinc/01/57/63/562015763.db2.gz SUPOWGINMOGKBY-JDIHBLRXSA-N 1 2 679.928 5.684 1 0 KKAFLO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(-n5cccn5)cc(C)[nH+]c34)c2Cl)cc1 ZINC000029395130 562018258 /nfs/dbraw/zinc/01/82/58/562018258.db2.gz ONAGGPGKXRLNSL-XNTDXEJSSA-N 1 2 657.558 5.767 1 0 KKAFLO Cc1oc2c(c1C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560007 562032781 /nfs/dbraw/zinc/03/27/81/562032781.db2.gz BOLMOAXJMNTWTF-FIBWVYCGSA-N 1 2 598.765 7.183 1 0 KKAFLO Cc1oc2c(c1C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560007 562032783 /nfs/dbraw/zinc/03/27/83/562032783.db2.gz BOLMOAXJMNTWTF-FIBWVYCGSA-N 1 2 598.765 7.183 1 0 KKAFLO c1ccc(CN(Cc2ccccc2)c2nc(N(Cc3ccccc3)Cc3ccccc3)c3ccccc3[nH+]2)cc1 ZINC000031559695 562036241 /nfs/dbraw/zinc/03/62/41/562036241.db2.gz HHDMBLCMRWXBHT-UHFFFAOYSA-N 1 2 520.680 8.043 1 0 KKAFLO COc1cc(-n2c3ccccc3[nH+]c2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000034802758 562042106 /nfs/dbraw/zinc/04/21/06/562042106.db2.gz VEXPKIRCYBYITI-UHFFFAOYSA-N 1 2 518.499 6.147 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@H](N(Cc2ccccc2)C(=O)c2ccco2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000036160514 562048364 /nfs/dbraw/zinc/04/83/64/562048364.db2.gz FOWBIQIEPIBKKC-WEZIJMHWSA-N 1 2 636.793 6.931 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ccco2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000036160510 562048369 /nfs/dbraw/zinc/04/83/69/562048369.db2.gz FOWBIQIEPIBKKC-CQTOTRCISA-N 1 2 636.793 6.931 1 0 KKAFLO COc1cc(Br)c(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000036286989 562054754 /nfs/dbraw/zinc/05/47/54/562054754.db2.gz CZQFKRLBBDIJNO-UHFFFAOYSA-N 1 2 517.414 5.652 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000036338864 562057419 /nfs/dbraw/zinc/05/74/19/562057419.db2.gz HIFPXVLZYKQXID-UHFFFAOYSA-N 1 2 596.679 6.019 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000036338864 562057421 /nfs/dbraw/zinc/05/74/21/562057421.db2.gz HIFPXVLZYKQXID-UHFFFAOYSA-N 1 2 596.679 6.019 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000036338864 562057424 /nfs/dbraw/zinc/05/74/24/562057424.db2.gz HIFPXVLZYKQXID-UHFFFAOYSA-N 1 2 596.679 6.019 1 0 KKAFLO Cc1cccc(N(C)C(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338881 562057507 /nfs/dbraw/zinc/05/75/07/562057507.db2.gz BVOTXUKSZIXDAM-UHFFFAOYSA-N 1 2 526.710 5.111 1 0 KKAFLO Cc1cccc(N(C)C(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338881 562057509 /nfs/dbraw/zinc/05/75/09/562057509.db2.gz BVOTXUKSZIXDAM-UHFFFAOYSA-N 1 2 526.710 5.111 1 0 KKAFLO Cc1cccc(N(C)C(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338881 562057511 /nfs/dbraw/zinc/05/75/11/562057511.db2.gz BVOTXUKSZIXDAM-UHFFFAOYSA-N 1 2 526.710 5.111 1 0 KKAFLO COCCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338897 562057552 /nfs/dbraw/zinc/05/75/52/562057552.db2.gz JPWOUJQSSZSAEC-UHFFFAOYSA-N 1 2 570.763 5.446 1 0 KKAFLO COCCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338897 562057555 /nfs/dbraw/zinc/05/75/55/562057555.db2.gz JPWOUJQSSZSAEC-UHFFFAOYSA-N 1 2 570.763 5.446 1 0 KKAFLO COCCN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338897 562057556 /nfs/dbraw/zinc/05/75/56/562057556.db2.gz JPWOUJQSSZSAEC-UHFFFAOYSA-N 1 2 570.763 5.446 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036338894 562057594 /nfs/dbraw/zinc/05/75/94/562057594.db2.gz LWAMOKCDAHOWOM-UHFFFAOYSA-N 1 2 581.573 6.428 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036338894 562057595 /nfs/dbraw/zinc/05/75/95/562057595.db2.gz LWAMOKCDAHOWOM-UHFFFAOYSA-N 1 2 581.573 6.428 1 0 KKAFLO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3sc4c(c3-c3nc5ccccc5[nH]3)CCCC4)c2)CC1 ZINC000038145492 562064239 /nfs/dbraw/zinc/06/42/39/562064239.db2.gz XLNYVULFZLBGMR-UHFFFAOYSA-N 1 2 584.167 5.402 3 0 KKAFLO Clc1ccc(CC[C@@]2(Cn3cc[nH+]c3)OC[C@@H](COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)O2)cc1 ZINC000040406845 562075088 /nfs/dbraw/zinc/07/50/88/562075088.db2.gz ZXXLNNOXVGMQDT-WBAFHMOBSA-N 1 2 533.112 6.828 1 0 KKAFLO Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2n2cc[nH+]c2)c(Cl)c1 ZINC000040880524 562082610 /nfs/dbraw/zinc/08/26/10/562082610.db2.gz RPKAYGJLTQVXCY-RPWUZVMVSA-N 1 2 502.232 7.704 1 0 KKAFLO COc1cc(CCC(O)=CC(=O)CCCCCCCCCO)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631563 560067834 /nfs/dbraw/zinc/06/78/34/560067834.db2.gz HOPONRWKIMUZDJ-UBOZLPQGSA-N 1 2 592.757 5.049 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)C=C(O)CCCCCCCCCO)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631563 560067836 /nfs/dbraw/zinc/06/78/36/560067836.db2.gz HOPONRWKIMUZDJ-UBOZLPQGSA-N 1 2 592.757 5.049 1 0 biogenic,in-vitro KKAFLO CCCCC[C@@H](C[C@@H](CCc1cc(OC2CCCC2)c(O)cc1-c1cc[nH+]c(N)c1)OC(C)=O)OC(C)=O ZINC000085629494 560068437 /nfs/dbraw/zinc/06/84/37/560068437.db2.gz JHLFCQANYUWLOK-IZZNHLLZSA-N 1 2 526.674 6.124 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2CCCCC[C@@H](CCO)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629395 560068446 /nfs/dbraw/zinc/06/84/46/560068446.db2.gz UHJINASQLIEAIU-GUMXGHCMSA-N 1 2 556.700 5.200 1 0 biogenic,in-vitro KKAFLO C[C@H](Nc1cc(NCc2ccccc2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043076066 562645707 /nfs/dbraw/zinc/64/57/07/562645707.db2.gz JYPSQGDICPXEEL-UQBPGWFLSA-N 1 2 521.890 7.332 1 0 KKAFLO C[C@H](Nc1cc(NCc2ccccc2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043076066 562645708 /nfs/dbraw/zinc/64/57/08/562645708.db2.gz JYPSQGDICPXEEL-UQBPGWFLSA-N 1 2 521.890 7.332 1 0 KKAFLO COc1c(NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1C(N)=O ZINC000044351817 562654875 /nfs/dbraw/zinc/65/48/75/562654875.db2.gz AYMFLFCMARIIJF-UHFFFAOYSA-N 1 2 567.690 5.783 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(CCc2nn[nH]n2)cc1 ZINC000045255269 562659909 /nfs/dbraw/zinc/65/99/09/562659909.db2.gz GETOWFJENOAKTJ-UHFFFAOYSA-N 1 2 520.641 5.228 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5ccncc5)C4=O)cc3F)c2cc1OC ZINC000045284516 562660130 /nfs/dbraw/zinc/66/01/30/562660130.db2.gz CGGKLARTSKGIPF-UHFFFAOYSA-N 1 2 503.490 5.053 1 0 KKAFLO COc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045337892 562661445 /nfs/dbraw/zinc/66/14/45/562661445.db2.gz SSULWRYWQAAWNT-IPBJYNAHSA-N 1 2 534.100 5.315 1 0 KKAFLO Fc1c(COC[C@H](Cc2c[nH]c[nH+]2)Nc2nccc(-c3ccc4ccccc4c3)n2)cccc1C(F)(F)F ZINC000045364197 562661976 /nfs/dbraw/zinc/66/19/76/562661976.db2.gz CREXUBNHVLNMCW-QHCPKHFHSA-N 1 2 521.518 6.418 1 0 KKAFLO Fc1c(COC[C@H](Cc2c[nH+]c[nH]2)Nc2nccc(-c3ccc4ccccc4c3)n2)cccc1C(F)(F)F ZINC000045364197 562661977 /nfs/dbraw/zinc/66/19/77/562661977.db2.gz CREXUBNHVLNMCW-QHCPKHFHSA-N 1 2 521.518 6.418 1 0 KKAFLO CC(=O)Nn1c2ccccc2[nH+]c1NCc1ccc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F ZINC000045387105 562662406 /nfs/dbraw/zinc/66/24/06/562662406.db2.gz PPAIFISATSRVFV-UHFFFAOYSA-N 1 2 508.916 5.695 1 0 KKAFLO COc1ccc(-c2csc(-c3ccc(C)nc3)n2)c2cc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)oc21 ZINC000045391480 562662568 /nfs/dbraw/zinc/66/25/68/562662568.db2.gz HUEJSOQVFWSFFW-UHFFFAOYSA-N 1 2 521.602 6.432 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000049052053 562663836 /nfs/dbraw/zinc/66/38/36/562663836.db2.gz GLDQJVYQRVZJIH-UHFFFAOYSA-N 1 2 501.497 5.303 1 0 KKAFLO CCc1ccc([C@](OC)(c2c[nH+]cn2CC)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)cc1 ZINC000049088871 562664386 /nfs/dbraw/zinc/66/43/86/562664386.db2.gz CMZRUYVYBZSZOJ-WJOKGBTCSA-N 1 2 512.053 6.576 1 0 KKAFLO C[C@@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C(=O)OCc1ccccc1 ZINC000049695052 562670149 /nfs/dbraw/zinc/67/01/49/562670149.db2.gz GLMGQTWNDCMBGO-GOXGLGGOSA-N 1 2 626.721 6.324 1 0 KKAFLO COCCOc1cc(C)c(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1C ZINC000049710754 562671773 /nfs/dbraw/zinc/67/17/73/562671773.db2.gz OYIIGYQEVBVQGG-UHFFFAOYSA-N 1 2 592.180 6.624 1 0 KKAFLO O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049722574 562672244 /nfs/dbraw/zinc/67/22/44/562672244.db2.gz UYHRAVUARCMIMP-UHFFFAOYSA-N 1 2 607.413 6.412 1 0 KKAFLO COc1ccc(CNC(=O)CC(C)(C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000049746365 562674367 /nfs/dbraw/zinc/67/43/67/562674367.db2.gz IGPWBTCXHYHZPX-WJOKGBTCSA-N 1 2 548.127 5.705 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000049756145 562674847 /nfs/dbraw/zinc/67/48/47/562674847.db2.gz UPWGQPKTTPFZIG-HHHXNRCGSA-N 1 2 662.717 5.201 1 0 KKAFLO COc1cc(Nc2nc(NCCCCCCCCNc3cnc4cc(Cl)ccc4c3)[nH+]c(N3CCOCC3)n2)cc(OC)c1 ZINC000049756932 562675323 /nfs/dbraw/zinc/67/53/23/562675323.db2.gz NQWLLFJRSWIWEK-UHFFFAOYSA-N 1 2 621.186 6.535 1 0 KKAFLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049762033 562676315 /nfs/dbraw/zinc/67/63/15/562676315.db2.gz POMIGTJNLSPLAH-MGBGTMOVSA-N 1 2 560.698 5.416 1 0 KKAFLO Cn1c[nH+]cc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000049766538 562677093 /nfs/dbraw/zinc/67/70/93/562677093.db2.gz UXCXRMNDCCIXCD-URLMMPGGSA-N 1 2 548.087 5.232 1 0 KKAFLO CCCCCc1ccc(CCC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N(C)[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])Cc2ccccc2)cc1 ZINC000049774745 562678761 /nfs/dbraw/zinc/67/87/61/562678761.db2.gz PXQPPFRLPITGHC-PDHQKIGBSA-N 1 2 651.852 5.158 1 0 KKAFLO CCCCCc1ccc(CCC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N(C)[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])Cc2ccccc2)cc1 ZINC000049774745 562678762 /nfs/dbraw/zinc/67/87/62/562678762.db2.gz PXQPPFRLPITGHC-PDHQKIGBSA-N 1 2 651.852 5.158 1 0 KKAFLO COc1cccc(C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCC[C@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000049778253 562681113 /nfs/dbraw/zinc/68/11/13/562681113.db2.gz ZFKKQNZVKREWGF-LBHUVFDKSA-N 1 2 711.303 8.000 1 0 KKAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC[NH2+]2)c1 ZINC000049783745 562683184 /nfs/dbraw/zinc/68/31/84/562683184.db2.gz YPQIEGDXNBKVGF-QAXCHELISA-N 1 2 725.686 5.207 1 0 KKAFLO CCCO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049783885 562683260 /nfs/dbraw/zinc/68/32/60/562683260.db2.gz VLNHAPSHNYUWDY-HKBQPEDESA-N 1 2 546.498 7.273 1 0 KKAFLO CCn1c[nH+]cc1[C@](OC)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049784769 562683744 /nfs/dbraw/zinc/68/37/44/562683744.db2.gz GUEWNGXEPLLHQQ-LJAQVGFWSA-N 1 2 551.996 7.032 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4ccc(Cl)cc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049898870 562692955 /nfs/dbraw/zinc/69/29/55/562692955.db2.gz YUJFYANTHSRLTJ-WXGMZPBLSA-N 1 2 653.050 7.196 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cccc(Cl)c4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049899521 562693187 /nfs/dbraw/zinc/69/31/87/562693187.db2.gz BXAKUXREXCPLKX-OOWIMERYSA-N 1 2 655.022 6.642 1 0 KKAFLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000049938307 562695148 /nfs/dbraw/zinc/69/51/48/562695148.db2.gz RXZODQSLCIFTMK-XXKIVBBDSA-N 1 2 674.886 7.657 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccccc2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955980 562695966 /nfs/dbraw/zinc/69/59/66/562695966.db2.gz ISOUMVPEJHVGPG-UHFFFAOYSA-N 1 2 572.677 5.957 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccccc2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955980 562695967 /nfs/dbraw/zinc/69/59/67/562695967.db2.gz ISOUMVPEJHVGPG-UHFFFAOYSA-N 1 2 572.677 5.957 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)cc1 ZINC000053243827 562696868 /nfs/dbraw/zinc/69/68/68/562696868.db2.gz IROXSZRIMGHNQJ-UHFFFAOYSA-N 1 2 556.470 7.734 1 0 KKAFLO CC(C)(C)c1cc(C(=O)Cn2c3cc(Br)ccc3[nH+]c2NCCCO)cc(C(C)(C)C)c1O ZINC000053312724 562697609 /nfs/dbraw/zinc/69/76/09/562697609.db2.gz KJCGFNIQYBDGHO-UHFFFAOYSA-N 1 2 516.480 5.777 1 0 KKAFLO Cn1c(-c2ccc(NC(=O)C[NH+]3CCN(c4ccccc4)CC3)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000058487589 562698226 /nfs/dbraw/zinc/69/82/26/562698226.db2.gz NXUQSMNHBXNAPT-UHFFFAOYSA-N 1 2 527.672 6.182 1 0 KKAFLO C[NH+](C)Cc1nc2c(nccc2Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)[nH]1 ZINC000058538419 562698830 /nfs/dbraw/zinc/69/88/30/562698830.db2.gz HAHVGUBMSYWFDN-UHFFFAOYSA-N 1 2 506.435 5.753 1 0 KKAFLO Cn1c2ccc(Cl)cc2n(C2CC[NH+](CCCn3nc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)ccc3=O)CC2)c1=O ZINC000058548229 562699118 /nfs/dbraw/zinc/69/91/18/562699118.db2.gz BAZBDQIGUTVYRQ-UHFFFAOYSA-N 1 2 663.581 5.667 1 0 KKAFLO O=C1N(c2ccc(F)c(Cl)c2)[C@H](c2ccccn2)C12CCN(c1[nH]c3cc(C(F)(F)F)c(F)cc3[nH+]1)CC2 ZINC000058603230 562700908 /nfs/dbraw/zinc/70/09/08/562700908.db2.gz XVGFCIHXNZUCGJ-JOCHJYFZSA-N 1 2 547.915 6.283 1 0 KKAFLO Cn1cc(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000059185476 562701811 /nfs/dbraw/zinc/70/18/11/562701811.db2.gz NTIUJPKOSDQHQP-NDEPHWFRSA-N 1 2 617.175 5.482 1 0 KKAFLO Cn1cc(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2Cl)nc(Nc2ccc([C@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000059185476 562701812 /nfs/dbraw/zinc/70/18/12/562701812.db2.gz NTIUJPKOSDQHQP-NDEPHWFRSA-N 1 2 617.175 5.482 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)ccc(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059191163 562701857 /nfs/dbraw/zinc/70/18/57/562701857.db2.gz RKROEMYBMQHKQK-LJAQVGFWSA-N 1 2 614.747 5.276 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)ccc(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059191163 562701858 /nfs/dbraw/zinc/70/18/58/562701858.db2.gz RKROEMYBMQHKQK-LJAQVGFWSA-N 1 2 614.747 5.276 1 0 KKAFLO COc1ccc(-c2csc(NCCc3[nH+]c4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)cc1 ZINC000059896146 562702437 /nfs/dbraw/zinc/70/24/37/562702437.db2.gz QERBKRCAUFRVFX-UHFFFAOYSA-N 1 2 556.132 5.476 3 0 KKAFLO COc1ccccc1-c1sc2cc(OC)c(OC)cc2c1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000061944876 562703810 /nfs/dbraw/zinc/70/38/10/562703810.db2.gz MFUANMKFOSVLLJ-UHFFFAOYSA-N 1 2 505.636 5.972 3 0 KKAFLO COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)ccc5o4)c(F)c3)c3c2nc[nH+]c3N)CC1 ZINC000063540207 562704526 /nfs/dbraw/zinc/70/45/26/562704526.db2.gz ZHJBAEFYMAHRNP-UHFFFAOYSA-N 1 2 552.010 5.900 1 0 KKAFLO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1c(F)c(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1F ZINC000064448387 562705486 /nfs/dbraw/zinc/70/54/86/562705486.db2.gz DIWBFIPASCHOPF-IRXDYDNUSA-N 1 2 570.554 5.451 1 0 KKAFLO C[N@H+]1C[C@@H]2C[C@H]1CN2c1c(F)c(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1F ZINC000064448387 562705487 /nfs/dbraw/zinc/70/54/87/562705487.db2.gz DIWBFIPASCHOPF-IRXDYDNUSA-N 1 2 570.554 5.451 1 0 KKAFLO CN(CCCc1c[nH+]c[nH]1)C(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000064468956 562705809 /nfs/dbraw/zinc/70/58/09/562705809.db2.gz XEMYFRXQEQGYLO-UHFFFAOYSA-N 1 2 535.943 5.056 1 0 KKAFLO CN(CCCc1c[nH]c[nH+]1)C(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000064468956 562705810 /nfs/dbraw/zinc/70/58/10/562705810.db2.gz XEMYFRXQEQGYLO-UHFFFAOYSA-N 1 2 535.943 5.056 1 0 KKAFLO COc1nc(Nc2nc(N3CCCCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)ccc1C(F)(F)F ZINC000064560188 562708487 /nfs/dbraw/zinc/70/84/87/562708487.db2.gz COKOGXCQUPTSMY-UHFFFAOYSA-N 1 2 567.538 5.652 1 0 KKAFLO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)C[N@H+](C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064573227 562708691 /nfs/dbraw/zinc/70/86/91/562708691.db2.gz INCLLCIGHHXSPI-ANFLZCCJSA-N 1 2 523.416 5.313 1 0 KKAFLO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)C[N@@H+](C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064573227 562708692 /nfs/dbraw/zinc/70/86/92/562708692.db2.gz INCLLCIGHHXSPI-ANFLZCCJSA-N 1 2 523.416 5.313 1 0 KKAFLO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)Cc1ccc(OC(C)(C)C)cc1 ZINC000064599936 562708859 /nfs/dbraw/zinc/70/88/59/562708859.db2.gz PNGOKSWCRBLEAF-JDXGNMNLSA-N 1 2 641.850 6.696 1 0 KKAFLO O=C1N(c2cccc(Cl)c2)[C@@H](c2ccccn2)C12CCN(c1[nH]c3cc(C(F)(F)F)c(F)cc3[nH+]1)CC2 ZINC000064637932 562708961 /nfs/dbraw/zinc/70/89/61/562708961.db2.gz BPPDNWBUKUHLNZ-QFIPXVFZSA-N 1 2 529.925 6.144 1 0 KKAFLO Clc1ccc2c(Nc3ccc(Nc4nc(Nc5ccccc5)nc(NC5CCCCC5)n4)cc3)cc[nH+]c2c1 ZINC000066077884 562710391 /nfs/dbraw/zinc/71/03/91/562710391.db2.gz HTUPIRLOMRHTNE-UHFFFAOYSA-N 1 2 537.071 8.049 1 0 KKAFLO CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1cc[nH+]c(NCc2ccccc2)c1 ZINC000071296401 562717487 /nfs/dbraw/zinc/71/74/87/562717487.db2.gz VQOBYAUGMNOJKG-UHFFFAOYSA-N 1 2 500.546 6.053 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)cs4)c3)cc(C(C)C)c2)c[nH+]1 ZINC000071296952 562717642 /nfs/dbraw/zinc/71/76/42/562717642.db2.gz YYBHKLYUXAWHPX-UHFFFAOYSA-N 1 2 508.651 7.127 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)c1cc(Oc2ccc3sc(Nc4ccc(Br)cc4)nc3c2)ccn1 ZINC000071340553 562719784 /nfs/dbraw/zinc/71/97/84/562719784.db2.gz UZONSGZZWFYFQC-UHFFFAOYSA-N 1 2 554.470 5.052 1 0 KKAFLO C[NH+]1CCN(C(=S)SCCCOc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1 ZINC000071340966 562719872 /nfs/dbraw/zinc/71/98/72/562719872.db2.gz MZTPJKQIHAMJMS-UHFFFAOYSA-N 1 2 612.196 6.779 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@H+](Cc3ccccc3)CC2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000071341556 562719993 /nfs/dbraw/zinc/71/99/93/562719993.db2.gz ATRNRVCPPBVDNA-PHVXBMEXSA-N 1 2 561.365 7.673 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@@H+](Cc3ccccc3)CC2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000071341556 562719994 /nfs/dbraw/zinc/71/99/94/562719994.db2.gz ATRNRVCPPBVDNA-PHVXBMEXSA-N 1 2 561.365 7.673 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC ZINC000071996259 562720216 /nfs/dbraw/zinc/72/02/16/562720216.db2.gz SBLMCLDRWJNEJK-UHFFFAOYSA-N 1 2 528.540 5.234 1 0 in-vitro KKAFLO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106808 562721147 /nfs/dbraw/zinc/72/11/47/562721147.db2.gz GIFCMCVWGWADSC-DEOSSOPVSA-N 1 2 564.517 5.067 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(CC[C@H](C[NH+]6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112411 562722076 /nfs/dbraw/zinc/72/20/76/562722076.db2.gz HKNNYRWOHFPOQA-SXOZNENCSA-N 1 2 626.879 6.394 1 0 KKAFLO COc1cc2ncnc(N3CCC[C@@H](c4ccccc4)C3)c2cc1OCCCc1[nH+]c2ccccc2n1C ZINC000072116267 562723082 /nfs/dbraw/zinc/72/30/82/562723082.db2.gz BKHNNIXZWBICGR-HSZRJFAPSA-N 1 2 507.638 5.921 1 0 KKAFLO FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072141090 562729292 /nfs/dbraw/zinc/72/92/92/562729292.db2.gz AMSQDRWNRBSLCK-HGJFNOKFSA-N 1 2 512.580 5.107 3 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5cccc(F)c5)c4)n3)c[nH+]2)CC1 ZINC000072176228 562731550 /nfs/dbraw/zinc/73/15/50/562731550.db2.gz WJHUFIVGAPQFKM-UHFFFAOYSA-N 1 2 672.812 6.138 1 0 KKAFLO Cc1c(=O)n(-c2ccccc2)n(C)c1-n1c2nc[nH+]c(Nc3ccccc3C)c2c(-c2ccccc2)c1-c1ccccc1 ZINC000072178304 562732036 /nfs/dbraw/zinc/73/20/36/562732036.db2.gz DGMSVJBDHUGUDV-UHFFFAOYSA-N 1 2 562.677 7.604 1 0 KKAFLO COc1cc2c(cc1OCC[NH+]1CCOCC1)ncnc2Oc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000072179942 562732416 /nfs/dbraw/zinc/73/24/16/562732416.db2.gz GTDRCAMYCRTQHC-UHFFFAOYSA-N 1 2 562.627 5.071 1 0 KKAFLO COC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 ZINC000072181479 562732765 /nfs/dbraw/zinc/73/27/65/562732765.db2.gz AGRKYGCNRKSAJV-LJAQVGFWSA-N 1 2 506.606 5.037 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000072316993 562733118 /nfs/dbraw/zinc/73/31/18/562733118.db2.gz KZJFTDSHWPSRSJ-UHFFFAOYSA-N 1 2 585.712 6.174 1 0 KKAFLO O=C(NCC[NH+]1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000073162136 562734153 /nfs/dbraw/zinc/73/41/53/562734153.db2.gz NXOAOIZUIUYABU-UHFFFAOYSA-N 1 2 602.462 6.431 1 0 KKAFLO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000073167397 562734595 /nfs/dbraw/zinc/73/45/95/562734595.db2.gz ZQLCCGNZHPPGNP-UHFFFAOYSA-N 1 2 616.489 6.821 1 0 KKAFLO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073167775 562734619 /nfs/dbraw/zinc/73/46/19/562734619.db2.gz SYRWJQRNHYCSFQ-UHFFFAOYSA-N 1 2 583.925 5.851 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073169328 562734825 /nfs/dbraw/zinc/73/48/25/562734825.db2.gz TWBYHFTXXXEYLT-QHCPKHFHSA-N 1 2 549.445 5.649 1 0 KKAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073197279 562735319 /nfs/dbraw/zinc/73/53/19/562735319.db2.gz JBNZAPOLATXSOF-WJOKGBTCSA-N 1 2 610.582 5.690 1 0 KKAFLO COC(=O)[C@@]12C[C@H]3COc4ccc5ccccc5c4[C@H]3[N@@H+]1[C@H](c1ccccc1)c1[nH]c3ccccc3c1C2 ZINC000073197680 562735418 /nfs/dbraw/zinc/73/54/18/562735418.db2.gz PYSSOVNJVXMUAR-GFYHTHHLSA-N 1 2 500.598 6.334 1 0 KKAFLO COC(=O)[C@@]12C[C@H]3COc4ccc5ccccc5c4[C@H]3[N@H+]1[C@H](c1ccccc1)c1[nH]c3ccccc3c1C2 ZINC000073197680 562735419 /nfs/dbraw/zinc/73/54/19/562735419.db2.gz PYSSOVNJVXMUAR-GFYHTHHLSA-N 1 2 500.598 6.334 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cccc(Cl)c3)C3CC3)cc2)c(Cl)c1 ZINC000073197846 562735493 /nfs/dbraw/zinc/73/54/93/562735493.db2.gz FJJYLQXJJUDRKS-HHHXNRCGSA-N 1 2 602.946 5.909 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cccc(Cl)c3)C3CC3)cn2)c(Cl)c1 ZINC000073198242 562735633 /nfs/dbraw/zinc/73/56/33/562735633.db2.gz BPQQZIBQCCMFPW-RUZDIDTESA-N 1 2 603.934 5.304 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cccc(Cl)c1)C1CC1 ZINC000073198696 562735854 /nfs/dbraw/zinc/73/58/54/562735854.db2.gz ZELIMDBCVOCTPX-AREMUKBSSA-N 1 2 572.027 5.265 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140741 562739541 /nfs/dbraw/zinc/73/95/41/562739541.db2.gz HBCHCBITWGZHJH-XMMPIXPASA-N 1 2 638.379 5.957 1 0 KKAFLO O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000082150850 562739868 /nfs/dbraw/zinc/73/98/68/562739868.db2.gz NPLAJBZCPFSGDJ-XIFFEERXSA-N 1 2 564.129 5.792 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1ccccc1Cl)C1CC1 ZINC000082151299 562739897 /nfs/dbraw/zinc/73/98/97/562739897.db2.gz LCTNZSPKXCHLEC-MUUNZHRXSA-N 1 2 552.502 5.501 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(C)CCCc3ccccc3)cc2)c(Cl)c1 ZINC000082151654 562739974 /nfs/dbraw/zinc/73/99/74/562739974.db2.gz QZRJLUBNMTUWLL-HHHXNRCGSA-N 1 2 570.517 5.156 1 0 KKAFLO C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(-c2cn3c(n2)sc2c3C[N@H+](Cc3ccccc3)CC2)cc1 ZINC000082154076 562740289 /nfs/dbraw/zinc/74/02/89/562740289.db2.gz NURADMYOAHDLGO-FQEVSTJZSA-N 1 2 585.680 5.585 1 0 KKAFLO C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(-c2cn3c(n2)sc2c3C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000082154076 562740290 /nfs/dbraw/zinc/74/02/90/562740290.db2.gz NURADMYOAHDLGO-FQEVSTJZSA-N 1 2 585.680 5.585 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c(Cl)cn1 ZINC000082190272 562742545 /nfs/dbraw/zinc/74/25/45/562742545.db2.gz MVXUANGOKWZRSI-GDLZYMKVSA-N 1 2 645.122 5.239 1 0 KKAFLO Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C[NH+]3CCOCC3)[nH]nc21 ZINC000084586603 562743400 /nfs/dbraw/zinc/74/34/00/562743400.db2.gz SAYDNSNTUKHINT-WJOKGBTCSA-N 1 2 609.731 5.031 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1 ZINC000084603293 562744115 /nfs/dbraw/zinc/74/41/15/562744115.db2.gz IFORBTVIRBZFON-UHFFFAOYSA-N 1 2 574.512 6.116 1 0 in-vitro KKAFLO CCCNc1nc(NCc2ccc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)c2ccccc2[nH+]1 ZINC000084634118 562745831 /nfs/dbraw/zinc/74/58/31/562745831.db2.gz ZLFQHEMNFZLAQA-UHFFFAOYSA-N 1 2 554.670 5.372 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@@]4(C)CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654111 562747148 /nfs/dbraw/zinc/74/71/48/562747148.db2.gz BACUGUSQQCAJQK-GDLZYMKVSA-N 1 2 515.541 5.565 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccccc3F)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084672475 562748804 /nfs/dbraw/zinc/74/88/04/562748804.db2.gz VXNIPEAFWARPJV-UHFFFAOYSA-N 1 2 573.676 6.304 1 0 KKAFLO Cc1ccc(-c2ncc(C[NH+]3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000084708677 562750234 /nfs/dbraw/zinc/75/02/34/562750234.db2.gz FPCRNQDPAAFAKL-UHFFFAOYSA-N 1 2 500.624 5.177 1 0 KKAFLO CCn1cc(C[N@H+](Cc2ccc(-c3cc4nccc(Oc5ccc6oc(Nc7ccc(Cl)cc7)nc6c5)c4s3)nc2)C(C)C)nn1 ZINC000093540171 562753646 /nfs/dbraw/zinc/75/36/46/562753646.db2.gz LVCFAFVBQNHCKL-UHFFFAOYSA-N 1 2 651.196 8.711 1 0 KKAFLO CCn1cc(C[N@@H+](Cc2ccc(-c3cc4nccc(Oc5ccc6oc(Nc7ccc(Cl)cc7)nc6c5)c4s3)nc2)C(C)C)nn1 ZINC000093540171 562753647 /nfs/dbraw/zinc/75/36/47/562753647.db2.gz LVCFAFVBQNHCKL-UHFFFAOYSA-N 1 2 651.196 8.711 1 0 KKAFLO COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2cccs2)n1 ZINC000095538284 562754638 /nfs/dbraw/zinc/75/46/38/562754638.db2.gz KIDRJDGGFTZRTF-BCRBLDSWSA-N 1 2 808.986 6.266 1 0 KKAFLO CC1(C)CNc2c(cc(CCC(=O)N3CC[NH+](Cc4ccncc4)CC3)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1 ZINC000095541705 562756283 /nfs/dbraw/zinc/75/62/83/562756283.db2.gz MRSGGALSWRQIHV-UMSFTDKQSA-N 1 2 790.044 5.450 1 0 KKAFLO CCN1CC[NH+](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 562760159 /nfs/dbraw/zinc/76/01/59/562760159.db2.gz VXILBVIYBFDZND-AFPLUKJUSA-N 1 2 760.752 6.417 1 0 KKAFLO CC[NH+]1CCN(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 562760160 /nfs/dbraw/zinc/76/01/60/562760160.db2.gz VXILBVIYBFDZND-AFPLUKJUSA-N 1 2 760.752 6.417 1 0 KKAFLO O=c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)oc2cc(OC[C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc12 ZINC000095552992 562760799 /nfs/dbraw/zinc/76/07/99/562760799.db2.gz ZAUPBIXKDGSHCS-DHUJRADRSA-N 1 2 668.790 7.180 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095568750 562766906 /nfs/dbraw/zinc/76/69/06/562766906.db2.gz UZEHIQNFVBKJCC-FQWYTPLZSA-N 1 2 676.839 7.207 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095568750 562766907 /nfs/dbraw/zinc/76/69/07/562766907.db2.gz UZEHIQNFVBKJCC-FQWYTPLZSA-N 1 2 676.839 7.207 1 0 KKAFLO O=C(c1ccc(C(F)(F)F)cc1)N(CCCn1cc[nH+]c1)[C@@H](c1nc2ccccc2[nH]1)c1ccccn1 ZINC000095569445 562767459 /nfs/dbraw/zinc/76/74/59/562767459.db2.gz ZJIGQOQTSXFEBB-XMMPIXPASA-N 1 2 504.516 5.495 3 0 KKAFLO FC(F)(F)Oc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095570616 562768318 /nfs/dbraw/zinc/76/83/18/562768318.db2.gz SIOBYIKFQZWTNR-CJVCNUQRSA-N 1 2 526.607 5.497 3 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095570556 562768329 /nfs/dbraw/zinc/76/83/29/562768329.db2.gz IVNKSYFTCQFKFE-NJQVLOCASA-N 1 2 646.810 5.040 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095570556 562768330 /nfs/dbraw/zinc/76/83/30/562768330.db2.gz IVNKSYFTCQFKFE-NJQVLOCASA-N 1 2 646.810 5.040 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570746 562768431 /nfs/dbraw/zinc/76/84/31/562768431.db2.gz YPKBHAMQCQAOQB-YJYIJQSESA-N 1 2 732.804 6.465 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570746 562768432 /nfs/dbraw/zinc/76/84/32/562768432.db2.gz YPKBHAMQCQAOQB-YJYIJQSESA-N 1 2 732.804 6.465 1 0 KKAFLO CC(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(CNC(=O)c5ccccc5)cc4)c3n2)c1 ZINC000095579353 562771500 /nfs/dbraw/zinc/77/15/00/562771500.db2.gz ODXGZMFSEOVGAX-UHFFFAOYSA-N 1 2 553.626 5.620 1 0 KKAFLO O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[NH+](Cc2ccccc2OCc2cccc(Br)c2)CC1 ZINC000095585518 562773612 /nfs/dbraw/zinc/77/36/12/562773612.db2.gz MVPWLILBLMERBC-UHFFFAOYSA-N 1 2 594.594 5.395 1 0 KKAFLO C[NH+](C)Cc1cnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095589788 562775023 /nfs/dbraw/zinc/77/50/23/562775023.db2.gz FPTHQVHJNRMDJK-UHFFFAOYSA-N 1 2 647.742 7.204 1 0 KKAFLO CN(C)Cc1c[nH+]c(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095589788 562775024 /nfs/dbraw/zinc/77/50/24/562775024.db2.gz FPTHQVHJNRMDJK-UHFFFAOYSA-N 1 2 647.742 7.204 1 0 KKAFLO O=C(N[C@@H](C(=O)Nc1cc([C@H](O)C[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095593401 562776246 /nfs/dbraw/zinc/77/62/46/562776246.db2.gz DZUXVCBPFLNAAX-VSJLXWSYSA-N 1 2 613.714 6.347 1 0 KKAFLO Cc1cc(NCc2ccc(F)cc2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCc5ccc(F)cc5)cc(C)[nH+]4)cc3)cc2)n1 ZINC000095594311 562776445 /nfs/dbraw/zinc/77/64/45/562776445.db2.gz RKOOAFHUDDFXKN-UHFFFAOYSA-N 1 2 716.837 9.501 1 0 KKAFLO O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCC[NH+]4CCOCC4)cc2C3=O)c(F)cc1F)c1ccccc1 ZINC000095598387 562777393 /nfs/dbraw/zinc/77/73/93/562777393.db2.gz GRHVPYPEZLEOSS-UHFFFAOYSA-N 1 2 583.635 6.001 1 0 KKAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095599754 562778329 /nfs/dbraw/zinc/77/83/29/562778329.db2.gz DNBZDJKFUCDOIB-SKSNSLHESA-N 1 2 586.758 5.251 3 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3cccs3)cc2CC1=O ZINC000095600768 562779224 /nfs/dbraw/zinc/77/92/24/562779224.db2.gz QYDRUHXYGFHOMI-MVYHEMRASA-N 1 2 626.628 5.137 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095601713 562779753 /nfs/dbraw/zinc/77/97/53/562779753.db2.gz CBAAPWVHONFTKW-QARNLMGBSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095601713 562779754 /nfs/dbraw/zinc/77/97/54/562779754.db2.gz CBAAPWVHONFTKW-QARNLMGBSA-N 1 2 724.843 6.039 1 0 KKAFLO O=C(Nc1cccc(SC(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095602806 562780217 /nfs/dbraw/zinc/78/02/17/562780217.db2.gz CJAXIIMEGYPJRF-UHFFFAOYSA-N 1 2 543.655 6.687 1 0 KKAFLO CS(=O)(=O)CCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)nc[nH+]c2NCC1 ZINC000095603165 562780413 /nfs/dbraw/zinc/78/04/13/562780413.db2.gz QRXMEGUJRZKMEO-UHFFFAOYSA-N 1 2 582.004 5.045 1 0 in-vitro KKAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000095604312 562780952 /nfs/dbraw/zinc/78/09/52/562780952.db2.gz IMPBBHMDJCWLCX-QZTZHPFYSA-N 1 2 612.601 5.208 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000095604312 562780953 /nfs/dbraw/zinc/78/09/53/562780953.db2.gz IMPBBHMDJCWLCX-QZTZHPFYSA-N 1 2 612.601 5.208 1 0 KKAFLO CCc1[nH+]c(C2CC2)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000095605219 562781416 /nfs/dbraw/zinc/78/14/16/562781416.db2.gz GLNYFTXQVXKKOI-JYFHCDHNSA-N 1 2 510.604 5.819 1 0 KKAFLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174093 562791657 /nfs/dbraw/zinc/79/16/57/562791657.db2.gz CRXSRUXOUVBKDH-UHFFFAOYSA-N 1 2 527.632 5.320 1 0 KKAFLO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@H]([N@@H+]4CCC(F)(F)C4)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175695 562791856 /nfs/dbraw/zinc/79/18/56/562791856.db2.gz YDDWJIZGOLMUPS-DMTNHVFBSA-N 1 2 604.092 6.425 1 0 KKAFLO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@H]([N@H+]4CCC(F)(F)C4)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175695 562791857 /nfs/dbraw/zinc/79/18/57/562791857.db2.gz YDDWJIZGOLMUPS-DMTNHVFBSA-N 1 2 604.092 6.425 1 0 KKAFLO CCOc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258248 562792794 /nfs/dbraw/zinc/79/27/94/562792794.db2.gz GWFMJOSUQIGWBN-UHFFFAOYSA-N 1 2 544.721 6.083 1 0 KKAFLO CS(=O)(=O)Nc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258260 562792895 /nfs/dbraw/zinc/79/28/95/562792895.db2.gz XOQVPQVLCRKAHN-UHFFFAOYSA-N 1 2 593.775 5.056 1 0 KKAFLO O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4cc(C[NH+]5CCOCC5)ccc4[nH]3)n2)cc1)C1CC1 ZINC000096271632 562793868 /nfs/dbraw/zinc/79/38/68/562793868.db2.gz GVWOZWUDWKTPQX-UHFFFAOYSA-N 1 2 602.124 5.472 1 0 KKAFLO O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4ccc(C[NH+]5CCOCC5)cc4[nH]3)n2)cc1)C1CC1 ZINC000096271632 562793869 /nfs/dbraw/zinc/79/38/69/562793869.db2.gz GVWOZWUDWKTPQX-UHFFFAOYSA-N 1 2 602.124 5.472 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccncc2)cc2c[nH]nc21 ZINC000096284748 562795290 /nfs/dbraw/zinc/79/52/90/562795290.db2.gz SLSVOTIQWAIHIU-GDLZYMKVSA-N 1 2 589.704 5.017 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccccc2F)cc2c[nH]nc21 ZINC000096284727 562795303 /nfs/dbraw/zinc/79/53/03/562795303.db2.gz IHSNWRMRPHFDCL-PMERELPUSA-N 1 2 606.706 5.761 1 0 KKAFLO C[C@]1(c2ccc(Nc3nc(N4CCCCCC4)[nH+]c(N4CCCCCC4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909926 562799793 /nfs/dbraw/zinc/79/97/93/562799793.db2.gz PJXPCJMXFVHRPM-PMERELPUSA-N 1 2 526.689 5.404 1 0 KKAFLO C[C@]1(c2ccc(Nc3nc(N4CCc5ccccc5C4)[nH+]c(N4CCc5ccccc5C4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909936 562799852 /nfs/dbraw/zinc/79/98/52/562799852.db2.gz ZZQZVQSLKZRECT-BHVANESWSA-N 1 2 594.723 5.769 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC ZINC000096913904 562800442 /nfs/dbraw/zinc/80/04/42/562800442.db2.gz BTDGZUGASWXNRP-LJAQVGFWSA-N 1 2 552.671 6.169 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC ZINC000096913904 562800443 /nfs/dbraw/zinc/80/04/43/562800443.db2.gz BTDGZUGASWXNRP-LJAQVGFWSA-N 1 2 552.671 6.169 1 0 KKAFLO CCCCCCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913960 562800662 /nfs/dbraw/zinc/80/06/62/562800662.db2.gz CHTKJFCFFKVHFF-GDLZYMKVSA-N 1 2 560.735 6.130 1 0 KKAFLO CCCCCCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913960 562800663 /nfs/dbraw/zinc/80/06/63/562800663.db2.gz CHTKJFCFFKVHFF-GDLZYMKVSA-N 1 2 560.735 6.130 1 0 KKAFLO CC(=O)N1N=C(c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000096921911 562801563 /nfs/dbraw/zinc/80/15/63/562801563.db2.gz MUASTJORUMUBOP-AREMUKBSSA-N 1 2 519.830 7.092 1 0 KKAFLO COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000096937492 562804226 /nfs/dbraw/zinc/80/42/26/562804226.db2.gz IOEYKTOUNLCPRA-HKBQPEDESA-N 1 2 584.635 5.889 1 0 KKAFLO O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096941818 562805058 /nfs/dbraw/zinc/80/50/58/562805058.db2.gz AQHYKALOTUQATM-MUUNZHRXSA-N 1 2 512.625 5.356 1 0 KKAFLO CCCCc1[nH+]c2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000098082427 562805243 /nfs/dbraw/zinc/80/52/43/562805243.db2.gz JYPXUXTWJKUTFS-UHFFFAOYSA-N 1 2 527.632 6.527 1 0 KKAFLO CCn1c2ccccc2c2cc(NC(=O)CSC(=S)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000098084903 562805756 /nfs/dbraw/zinc/80/57/56/562805756.db2.gz ZVMUJHWTPQKAIY-UHFFFAOYSA-N 1 2 502.709 5.589 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2cccc(Cl)c2)nc(NC[NH+]2CCCCC2)n1 ZINC000103168745 562814707 /nfs/dbraw/zinc/81/47/07/562814707.db2.gz SQJBXQKGIBJQLM-UHFFFAOYSA-N 1 2 525.834 6.188 1 0 KKAFLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 ZINC000103227761 562817976 /nfs/dbraw/zinc/81/79/76/562817976.db2.gz CCONKWUBYYLGDN-MUUNZHRXSA-N 1 2 548.707 5.070 1 0 KKAFLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 ZINC000103227791 562817981 /nfs/dbraw/zinc/81/79/81/562817981.db2.gz CAVHOWBMUHUXQX-WJOKGBTCSA-N 1 2 556.726 6.008 1 0 KKAFLO O=C(Nc1nc(-c2ccccc2)c(Cl)s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253804 562820555 /nfs/dbraw/zinc/82/05/55/562820555.db2.gz XOXXXJBSQAAXEN-UHFFFAOYSA-N 1 2 561.151 6.852 1 0 KKAFLO CCOc1ccccc1C1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[NH2+]1 ZINC000103255249 562820720 /nfs/dbraw/zinc/82/07/20/562820720.db2.gz ZPDOKJLMEDEGBM-XNMGPUDCSA-N 1 2 524.448 5.833 1 0 KKAFLO CCCCNc1nc(Nc2ccccc2)nc(OCCCCNc2nc(Nc3ccccc3)nc(NCCCC)[nH+]2)n1 ZINC000103256034 562820791 /nfs/dbraw/zinc/82/07/91/562820791.db2.gz PNVSWGUCMYXBNJ-UHFFFAOYSA-N 1 2 571.734 6.239 1 0 KKAFLO O=C(c1cnccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(-c3ccccc3)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103260776 562821236 /nfs/dbraw/zinc/82/12/36/562821236.db2.gz VRUOIOQHPZWQNA-XIFFEERXSA-N 1 2 615.656 5.565 1 0 KKAFLO COc1ccc(C[N@H+](CCc2ccc(Br)cc2)Cc2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000103282609 562823683 /nfs/dbraw/zinc/82/36/83/562823683.db2.gz UZKXGPOCXZYING-UHFFFAOYSA-N 1 2 516.304 6.104 1 0 KKAFLO COc1ccc(C[N@@H+](CCc2ccc(Br)cc2)Cc2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000103282609 562823684 /nfs/dbraw/zinc/82/36/84/562823684.db2.gz UZKXGPOCXZYING-UHFFFAOYSA-N 1 2 516.304 6.104 1 0 KKAFLO COc1cc2c(cc1-c1ccc(I)cc1)NC(=O)CC(c1cccc(-n3cc[nH+]c3)c1)=N2 ZINC000103297723 562824648 /nfs/dbraw/zinc/82/46/48/562824648.db2.gz JWQKUQDLRNRHOC-UHFFFAOYSA-N 1 2 534.357 5.616 1 0 KKAFLO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(C[NH+](C)C)[nH]3)c3ncccc23)c1Cl ZINC000115295537 562828806 /nfs/dbraw/zinc/82/88/06/562828806.db2.gz UHNOULWKOLJUOI-UHFFFAOYSA-N 1 2 500.386 5.263 1 0 KKAFLO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(C[NH+](C)C)c[nH]3)c3ncccc23)c1Cl ZINC000115295537 562828807 /nfs/dbraw/zinc/82/88/07/562828807.db2.gz UHNOULWKOLJUOI-UHFFFAOYSA-N 1 2 500.386 5.263 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(N3CCc4cc(OC)c(OC)cc4C3)nc(NC3CCCCC3)[nH+]2)cc1)c1cccc(C)c1 ZINC000140998892 562833450 /nfs/dbraw/zinc/83/34/50/562833450.db2.gz JNTRDWXGTHRFEO-UHFFFAOYSA-N 1 2 635.813 6.783 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NC3CCCCC3)[nH+]c(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000140998892 562833451 /nfs/dbraw/zinc/83/34/51/562833451.db2.gz JNTRDWXGTHRFEO-UHFFFAOYSA-N 1 2 635.813 6.783 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NC3CCCCC3)nc(N3CCc4cc(OC)c(OC)cc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000140998892 562833452 /nfs/dbraw/zinc/83/34/52/562833452.db2.gz JNTRDWXGTHRFEO-UHFFFAOYSA-N 1 2 635.813 6.783 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(N3CCc4cc(OC)c(OC)cc4C3)nc(NC)[nH+]2)cc1)c1cccc(C)c1 ZINC000141247307 562833573 /nfs/dbraw/zinc/83/35/73/562833573.db2.gz IYGGTOCJJOTNES-UHFFFAOYSA-N 1 2 567.694 5.080 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NC)[nH+]c(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000141247307 562833574 /nfs/dbraw/zinc/83/35/74/562833574.db2.gz IYGGTOCJJOTNES-UHFFFAOYSA-N 1 2 567.694 5.080 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NC)nc(N3CCc4cc(OC)c(OC)cc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000141247307 562833575 /nfs/dbraw/zinc/83/35/75/562833575.db2.gz IYGGTOCJJOTNES-UHFFFAOYSA-N 1 2 567.694 5.080 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CC[C@H](F)C6)nc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000148306323 562840963 /nfs/dbraw/zinc/84/09/63/562840963.db2.gz JZAGINNBNFYVQV-FQEVSTJZSA-N 1 2 591.573 5.785 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523279 562843622 /nfs/dbraw/zinc/84/36/22/562843622.db2.gz QDHIUJBWRVTPFM-VWLOTQADSA-N 1 2 660.697 5.576 1 0 KKAFLO CC[NH2+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)OCC ZINC000150591087 562846195 /nfs/dbraw/zinc/84/61/95/562846195.db2.gz RVNHZAFMVUUHKQ-INIZCTEOSA-N 1 2 832.980 5.687 1 0 KKAFLO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3cccc(F)c3)c3cccc(F)c3)CC[NH+]3CCOCC3)sc2Cl)cc1 ZINC000150599783 562847059 /nfs/dbraw/zinc/84/70/59/562847059.db2.gz JKUMLYNPXWSWOT-UHFFFAOYSA-N 1 2 676.211 5.777 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604153 562847556 /nfs/dbraw/zinc/84/75/56/562847556.db2.gz SBBZCSSPXOWAMS-RWSVXVLSSA-N 1 2 742.972 6.244 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604153 562847557 /nfs/dbraw/zinc/84/75/57/562847557.db2.gz SBBZCSSPXOWAMS-RWSVXVLSSA-N 1 2 742.972 6.244 1 0 KKAFLO Cc1cc2[nH]c(-c3ccc(-n4nc5c(c4-c4ccccc4)N(C)S(=O)(=O)c4ccccc4-5)cc3)[nH+]c2cc1C ZINC000169307856 562853974 /nfs/dbraw/zinc/85/39/74/562853974.db2.gz NYAURRFYQBZMCT-UHFFFAOYSA-N 1 2 531.641 6.505 1 0 KKAFLO COc1ccc(Nc2c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)[nH+]c3ccc(Br)cn32)cc1 ZINC000169326057 562857700 /nfs/dbraw/zinc/85/77/00/562857700.db2.gz NNPJCHYAGNPGJC-UHFFFAOYSA-N 1 2 606.520 8.674 1 0 KKAFLO CC(C)(C)c1ncc(C2=N[C@@](C)(c3ccc(Cl)cc3)[C@@](C)(c3ccc(Cl)cc3)N2C(=O)N2CC[NH+](CCOCCO)CC2)cn1 ZINC000169330357 562858678 /nfs/dbraw/zinc/85/86/78/562858678.db2.gz AWXGJNOCTMNUKO-SZAHLOSFSA-N 1 2 653.655 5.720 1 0 KKAFLO Cc1ccc(Cl)cc1N1CC[NH+](CCOC(=O)c2ccccc2Nc2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000169334062 562859431 /nfs/dbraw/zinc/85/94/31/562859431.db2.gz LSJYIEDOBPCYSA-UHFFFAOYSA-N 1 2 569.027 6.938 1 0 KKAFLO COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc1 ZINC000169339721 562860438 /nfs/dbraw/zinc/86/04/38/562860438.db2.gz ZIXQMKJJFGXLGE-HKBQPEDESA-N 1 2 599.782 5.470 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000169339714 562860485 /nfs/dbraw/zinc/86/04/85/562860485.db2.gz XDPGDIUQGLHHQP-PMERELPUSA-N 1 2 569.756 5.461 1 0 KKAFLO COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339732 562860503 /nfs/dbraw/zinc/86/05/03/562860503.db2.gz RSHUKIXSTVOUEV-SSEXGKCCSA-N 1 2 659.834 5.487 1 0 KKAFLO CCCCNC(=S)NS(=O)(=O)c1ccc(N2[NH+]=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000169339738 562860513 /nfs/dbraw/zinc/86/05/13/562860513.db2.gz JOXMSJXZLXVZJJ-MHZLTWQESA-N 1 2 570.184 5.715 1 0 KKAFLO O=C(OCCn1cc[nH+]c1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353297 562863473 /nfs/dbraw/zinc/86/34/73/562863473.db2.gz FDQDAIHJWMJPDG-UHFFFAOYSA-N 1 2 505.622 5.408 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700929 562867845 /nfs/dbraw/zinc/86/78/45/562867845.db2.gz CXTQFBTTXLLJKZ-UHFFFAOYSA-N 1 2 695.536 7.747 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3nnc(C(C)(C)C)s3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701037 562867877 /nfs/dbraw/zinc/86/78/77/562867877.db2.gz FDGNDOBQNPLTNF-UHFFFAOYSA-N 1 2 739.696 8.466 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cc(C(C)(C)C)on3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701034 562867900 /nfs/dbraw/zinc/86/79/00/562867900.db2.gz QRPAFYFOLFHZMD-UHFFFAOYSA-N 1 2 722.640 8.603 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C2(C)CC2)c1Cl ZINC000169701032 562867908 /nfs/dbraw/zinc/86/79/08/562867908.db2.gz YVVFMUFLWRPTFH-GOSISDBHSA-N 1 2 693.529 7.739 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2nccs2)c1Cl ZINC000169701048 562867963 /nfs/dbraw/zinc/86/79/63/562867963.db2.gz BRLYFJNFWLFVRQ-UHFFFAOYSA-N 1 2 722.543 7.471 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701053 562867975 /nfs/dbraw/zinc/86/79/75/562867975.db2.gz FERRLRFIMQYKLF-MRXNPFEDSA-N 1 2 717.954 8.421 1 0 KKAFLO CC(C)(C)OC(=O)N1CCc2nc(-c3ccn4c(c3)[nH+]cc4-c3cccc(NC(=O)NCC(F)(F)F)c3)sc2C1 ZINC000169704612 562869082 /nfs/dbraw/zinc/86/90/82/562869082.db2.gz XCAGIHJCPNUGAK-UHFFFAOYSA-N 1 2 572.613 6.102 1 0 KKAFLO Nc1nc(-c2ccn3c(-c4cc(NC(=O)NCC(F)(F)F)cc(OC5CCCC5)c4)c[nH+]c3c2)ncc1F ZINC000169704723 562869138 /nfs/dbraw/zinc/86/91/38/562869138.db2.gz VGDOBUQFOYJAMM-UHFFFAOYSA-N 1 2 529.498 5.185 1 0 KKAFLO [NH3+][C@@H]1CCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203987006 562874240 /nfs/dbraw/zinc/87/42/40/562874240.db2.gz ORPZYZRQNJRUSL-QGZVFWFLSA-N 1 2 535.435 5.578 1 0 KKAFLO Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCc3c[nH]c[nH+]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103116 562876255 /nfs/dbraw/zinc/87/62/55/562876255.db2.gz DGWXQHKAOFMVFK-RUZDIDTESA-N 1 2 512.416 6.476 1 0 KKAFLO Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCc3c[nH+]c[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103116 562876256 /nfs/dbraw/zinc/87/62/56/562876256.db2.gz DGWXQHKAOFMVFK-RUZDIDTESA-N 1 2 512.416 6.476 1 0 KKAFLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3ccc(Cl)cc3[nH+]2)[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000206708825 562876513 /nfs/dbraw/zinc/87/65/13/562876513.db2.gz NJSZUNHOUCPFFE-DQEYMECFSA-N 1 2 533.028 6.140 1 0 KKAFLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3cc(Cl)ccc3[nH+]2)[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000206708825 562876514 /nfs/dbraw/zinc/87/65/14/562876514.db2.gz NJSZUNHOUCPFFE-DQEYMECFSA-N 1 2 533.028 6.140 1 0 KKAFLO C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)CC1 ZINC000215495609 562877375 /nfs/dbraw/zinc/87/73/75/562877375.db2.gz WBIQMNDNFCNQLO-UHFFFAOYSA-N 1 2 524.568 5.835 1 0 KKAFLO C[N@@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)CC1 ZINC000215495609 562877376 /nfs/dbraw/zinc/87/73/76/562877376.db2.gz WBIQMNDNFCNQLO-UHFFFAOYSA-N 1 2 524.568 5.835 1 0 KKAFLO Cn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1 ZINC000219556821 562878281 /nfs/dbraw/zinc/87/82/81/562878281.db2.gz IGBFRJGBHUMYIT-MHZLTWQESA-N 1 2 508.836 6.804 1 0 KKAFLO CC(C)(C)c1ncc(C[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160185 562878393 /nfs/dbraw/zinc/87/83/93/562878393.db2.gz GKNLZBGIGHIVOO-UHFFFAOYSA-N 1 2 564.771 6.785 1 0 KKAFLO CC(C)(C)c1ncc(C[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160185 562878394 /nfs/dbraw/zinc/87/83/94/562878394.db2.gz GKNLZBGIGHIVOO-UHFFFAOYSA-N 1 2 564.771 6.785 1 0 KKAFLO Brc1ccc(C[NH+]2CCN(c3nc(-c4ccncc4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000223691077 562880168 /nfs/dbraw/zinc/88/01/68/562880168.db2.gz NXVUZBCXAIILMH-UHFFFAOYSA-N 1 2 520.500 5.717 1 0 KKAFLO COc1cc[nH+]cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224084379 562880309 /nfs/dbraw/zinc/88/03/09/562880309.db2.gz MIGFPEUHNSPEGD-MHZLTWQESA-N 1 2 521.448 7.073 1 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(-n4c(N)c(C(N)=O)c5nc6ccccc6nc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000299832220 562885788 /nfs/dbraw/zinc/88/57/88/562885788.db2.gz SQMGZJRRBWQYGJ-UHFFFAOYSA-N 1 2 584.562 5.328 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nc3ccn(C)c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840869 562888665 /nfs/dbraw/zinc/88/86/65/562888665.db2.gz ZSVJVUQFNULFQX-UHFFFAOYSA-N 1 2 629.687 6.586 1 0 KKAFLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CC[NH2+]CC6)sc5c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299843490 562889016 /nfs/dbraw/zinc/88/90/16/562889016.db2.gz ZARCYRCSIPWCIF-UGOYPUAISA-N 1 2 822.978 5.068 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856212 562891893 /nfs/dbraw/zinc/89/18/93/562891893.db2.gz IRXPYSOEJZVFBM-HHHXNRCGSA-N 1 2 605.198 6.269 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856212 562891894 /nfs/dbraw/zinc/89/18/94/562891894.db2.gz IRXPYSOEJZVFBM-HHHXNRCGSA-N 1 2 605.198 6.269 1 0 KKAFLO CN1C(=O)c2ccc(N[C@H](CCc3ccc(N)[nH+]c3)P(=O)(Oc3ccccc3)Oc3ccccc3)cc2C1=O ZINC000473107313 562898326 /nfs/dbraw/zinc/89/83/26/562898326.db2.gz IMOIECVIGYILDF-MHZLTWQESA-N 1 2 542.532 5.442 1 0 KKAFLO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(Cl)ccc3Cl)cc1)CC2 ZINC000473137006 562901117 /nfs/dbraw/zinc/90/11/17/562901117.db2.gz WEEQDXIWMATHMB-UHFFFAOYSA-N 1 2 640.589 6.665 1 0 KKAFLO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(Cl)ccc3Cl)cc1)CC2 ZINC000473137006 562901118 /nfs/dbraw/zinc/90/11/18/562901118.db2.gz WEEQDXIWMATHMB-UHFFFAOYSA-N 1 2 640.589 6.665 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000473213453 562903849 /nfs/dbraw/zinc/90/38/49/562903849.db2.gz DNNXPAGXQYNMMV-GOSISDBHSA-N 1 2 537.451 5.213 1 0 KKAFLO O=C([O-])C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215493 562904061 /nfs/dbraw/zinc/90/40/61/562904061.db2.gz RPYQPXALUIMCMA-OVZXINRLSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215493 562904062 /nfs/dbraw/zinc/90/40/62/562904062.db2.gz RPYQPXALUIMCMA-OVZXINRLSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[NH+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215493 562904063 /nfs/dbraw/zinc/90/40/63/562904063.db2.gz RPYQPXALUIMCMA-OVZXINRLSA-N 1 2 518.746 6.565 1 0 KKAFLO O=C([O-])C[NH+]1CCCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215493 562904064 /nfs/dbraw/zinc/90/40/64/562904064.db2.gz RPYQPXALUIMCMA-OVZXINRLSA-N 1 2 518.746 6.565 1 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3c(NC(=O)C(C)(C)C)c[nH+]c4ccc(-c5cnc6ccccc6c5)cc43)cc2C(F)(F)F)CC1 ZINC000653744951 562910288 /nfs/dbraw/zinc/91/02/88/562910288.db2.gz HPVMIGRBYIWORF-UHFFFAOYSA-N 1 2 640.710 7.287 1 0 KKAFLO Cc1ccc(COc2ccccc2C[NH+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccc2OCc2ccc(C)cc2)cc1 ZINC000653761923 562911392 /nfs/dbraw/zinc/91/13/92/562911392.db2.gz VLXIMIMCRVHGNT-HKBQPEDESA-N 1 2 538.688 6.266 1 0 KKAFLO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N(C)C(=O)C[NH+](C)C)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822620 562914147 /nfs/dbraw/zinc/91/41/47/562914147.db2.gz FARNSAZMRIPYES-AWEZNQCLSA-N 1 2 538.439 5.472 1 0 KKAFLO O=C(Nc1ccc(Br)cc1)Nc1ccc(CNc2nc3cc(OCC[NH+]4CCOCC4)ccc3o2)cc1 ZINC000653825876 562914426 /nfs/dbraw/zinc/91/44/26/562914426.db2.gz HSJXGORRQIQLLI-UHFFFAOYSA-N 1 2 566.456 5.557 1 0 KKAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(C(F)(F)F)cc4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000653851536 562915556 /nfs/dbraw/zinc/91/55/56/562915556.db2.gz HPJVWFQCXLNZQY-ONEGZZNKSA-N 1 2 648.686 5.119 1 0 KKAFLO CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CO)CCCO)c3c(=O)c2O)cc(Cc2cccc(C[NH2+]C3CCCCC3)c2)c1O ZINC000085569391 565145263 /nfs/dbraw/zinc/14/52/63/565145263.db2.gz UGVUFQWBEDSZFV-HKBQPEDESA-N 1 2 645.793 6.301 1 0 biogenic,in-vitro KKAFLO CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCCC4(O)CCCC4)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=[NH+]1 ZINC000103533197 565194631 /nfs/dbraw/zinc/19/46/31/565194631.db2.gz MTSWXBDDTDQPLA-UHFFFAOYSA-N 1 2 608.711 7.082 1 0 biogenic,in-vitro KKAFLO CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000001536414 561676857 /nfs/dbraw/zinc/67/68/57/561676857.db2.gz PLWRFLSRPMEPEN-UHFFFAOYSA-N 1 2 508.808 5.272 1 0 KKAFLO CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000001536414 561676858 /nfs/dbraw/zinc/67/68/58/561676858.db2.gz PLWRFLSRPMEPEN-UHFFFAOYSA-N 1 2 508.808 5.272 1 0 KKAFLO COc1cc2c(cc1OCC[NH+]1CCOCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000003815972 561683033 /nfs/dbraw/zinc/68/30/33/561683033.db2.gz ZXFMBXUSSMLPCX-UHFFFAOYSA-N 1 2 527.665 6.788 1 0 KKAFLO O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003917902 561685263 /nfs/dbraw/zinc/68/52/63/561685263.db2.gz FPSMMQRPQWZOPJ-UHFFFAOYSA-N 1 2 702.749 8.573 1 0 KKAFLO O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCc1c[nH+]c[nH]1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003917906 561685331 /nfs/dbraw/zinc/68/53/31/561685331.db2.gz DURYVDQVHCBZAK-UHFFFAOYSA-N 1 2 688.722 8.252 1 0 KKAFLO O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCc1c[nH]c[nH+]1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003917906 561685333 /nfs/dbraw/zinc/68/53/33/561685333.db2.gz DURYVDQVHCBZAK-UHFFFAOYSA-N 1 2 688.722 8.252 1 0 KKAFLO CN(c1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000013487912 561715364 /nfs/dbraw/zinc/71/53/64/561715364.db2.gz CDQYZMDHFPVYTD-QFIPXVFZSA-N 1 2 513.491 6.060 1 0 KKAFLO [O-][n+]1ccc(C[C@@H](c2ccc(NCc3ccccc3)[nH+]c2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013487916 561715383 /nfs/dbraw/zinc/71/53/83/561715383.db2.gz CBGQPZWENDUDMW-JOCHJYFZSA-N 1 2 513.491 5.905 1 0 KKAFLO CC(C)(C)c1cc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)n(-c2cccc(N)c2)n1 ZINC000013528342 561717388 /nfs/dbraw/zinc/71/73/88/561717388.db2.gz CKKYQUBTMVTTRV-UHFFFAOYSA-N 1 2 528.657 5.260 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2\C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000013743378 561726501 /nfs/dbraw/zinc/72/65/01/561726501.db2.gz QWDAOLJZTCHRAW-NLRVBDNBSA-N 1 2 514.626 5.420 1 0 KKAFLO O=C(OCc1ccccc1)c1c(Cl)c(CCn2c[nH+]c3c2NC=NC[C@H]3O)c2c(c1Cl)CCCC2 ZINC000013861960 561734748 /nfs/dbraw/zinc/73/47/48/561734748.db2.gz BTMGEDFAWKMHMZ-HXUWFJFHSA-N 1 2 513.425 5.156 1 0 KKAFLO C[C@H](Nc1cc(-c2[nH]c(SCc3ccc([S@@](C)=O)cc3)nc2-c2ccc(F)cc2)cc[nH+]1)c1ccccc1 ZINC000014177070 561737315 /nfs/dbraw/zinc/73/73/15/561737315.db2.gz SZLYSQJIZDNCQP-MRYREAQLSA-N 1 2 542.705 7.481 1 0 KKAFLO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2c1 ZINC000014950950 561745885 /nfs/dbraw/zinc/74/58/85/561745885.db2.gz HGYNEVGCUIGPKE-JOCHJYFZSA-N 1 2 591.118 5.395 1 0 KKAFLO CC1(c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCOCC4)c4ccccc34)n(-c3ccccc3)n2)CCCCC1 ZINC000014956539 561747812 /nfs/dbraw/zinc/74/78/12/561747812.db2.gz FDNPZGWBZPSMAA-UHFFFAOYSA-N 1 2 553.707 6.602 1 0 KKAFLO CC[N@H+](C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963034 561748829 /nfs/dbraw/zinc/74/88/29/561748829.db2.gz ZORVPYUEFANYON-UHFFFAOYSA-N 1 2 527.861 6.068 1 0 KKAFLO CC[N@@H+](C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963034 561748830 /nfs/dbraw/zinc/74/88/30/561748830.db2.gz ZORVPYUEFANYON-UHFFFAOYSA-N 1 2 527.861 6.068 1 0 KKAFLO C[N@H+](CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963725 561749192 /nfs/dbraw/zinc/74/91/92/561749192.db2.gz NBZNHZFHLOUBNK-UHFFFAOYSA-N 1 2 556.899 5.654 1 0 KKAFLO C[N@@H+](CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963725 561749193 /nfs/dbraw/zinc/74/91/93/561749193.db2.gz NBZNHZFHLOUBNK-UHFFFAOYSA-N 1 2 556.899 5.654 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@@H]3C(SC)=CC(C)(C)C[C@@H]3S1)N(Cc1ccccc1)CC[N@@H+]2Cc1ccccc1 ZINC000019321901 561758359 /nfs/dbraw/zinc/75/83/59/561758359.db2.gz HFNMXHLBLCDVMK-IZZNHLLZSA-N 1 2 578.800 5.709 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@@H]3C(SC)=CC(C)(C)C[C@@H]3S1)N(Cc1ccccc1)CC[N@H+]2Cc1ccccc1 ZINC000019321901 561758360 /nfs/dbraw/zinc/75/83/60/561758360.db2.gz HFNMXHLBLCDVMK-IZZNHLLZSA-N 1 2 578.800 5.709 1 0 KKAFLO Cc1nc2sccn2c(=O)c1CCN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000022940792 561761060 /nfs/dbraw/zinc/76/10/60/561761060.db2.gz BZFNKUVKRNSKNV-AZGAKELHSA-N 1 2 523.077 5.294 1 0 KKAFLO CCOC(=O)COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](CC(=O)NC)C1)C(C)(C)O2 ZINC000026172865 561770280 /nfs/dbraw/zinc/77/02/80/561770280.db2.gz LYJKTXVWJYXEHH-OAQYLSRUSA-N 1 2 552.687 5.270 1 0 KKAFLO CCOC(=O)COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](CC(=O)NC)C1)C(C)(C)O2 ZINC000026172865 561770282 /nfs/dbraw/zinc/77/02/82/561770282.db2.gz LYJKTXVWJYXEHH-OAQYLSRUSA-N 1 2 552.687 5.270 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C1CCCCC1 ZINC000026382889 561783682 /nfs/dbraw/zinc/78/36/82/561783682.db2.gz NNBHDRJEVSYTPI-YLJHYDRVSA-N 1 2 611.835 6.436 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C1CCCCC1 ZINC000026382889 561783684 /nfs/dbraw/zinc/78/36/84/561783684.db2.gz NNBHDRJEVSYTPI-YLJHYDRVSA-N 1 2 611.835 6.436 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NC(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000026491880 561793554 /nfs/dbraw/zinc/79/35/54/561793554.db2.gz ZNEZCXJJIUHKKH-JUJMZJBPSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NC(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000026491880 561793556 /nfs/dbraw/zinc/79/35/56/561793556.db2.gz ZNEZCXJJIUHKKH-JUJMZJBPSA-N 1 2 626.754 6.421 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 ZINC000026662426 561810406 /nfs/dbraw/zinc/81/04/06/561810406.db2.gz RNTYTRGYGHSHPI-MHZLTWQESA-N 1 2 537.660 6.323 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 ZINC000026662426 561810408 /nfs/dbraw/zinc/81/04/08/561810408.db2.gz RNTYTRGYGHSHPI-MHZLTWQESA-N 1 2 537.660 6.323 1 0 KKAFLO O=S(=O)(c1ccc(NCCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH+]c[nH]1)CC1CCCCC1 ZINC000026664624 561810934 /nfs/dbraw/zinc/81/09/34/561810934.db2.gz CRPHSWMBRLUAQT-UHFFFAOYSA-N 1 2 521.514 6.142 1 0 KKAFLO O=S(=O)(c1ccc(NCCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH]c[nH+]1)CC1CCCCC1 ZINC000026664624 561810935 /nfs/dbraw/zinc/81/09/35/561810935.db2.gz CRPHSWMBRLUAQT-UHFFFAOYSA-N 1 2 521.514 6.142 1 0 KKAFLO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026668704 561811779 /nfs/dbraw/zinc/81/17/79/561811779.db2.gz BZFNKUVKRNSKNV-RSXGOPAZSA-N 1 2 523.077 5.294 1 0 KKAFLO C[NH+]1CCN(C(=O)n2cc(C(=O)c3ccn4c3CS[C@@H]4c3cccnc3)c3ccc(-c4ccc(F)cc4)cc32)CC1 ZINC000026730256 561816699 /nfs/dbraw/zinc/81/66/99/561816699.db2.gz QHUHHKMQSQGZPW-WJOKGBTCSA-N 1 2 565.674 5.884 1 0 KKAFLO COc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc2c1OCC[NH+]1CCOCC1 ZINC000026831872 561823153 /nfs/dbraw/zinc/82/31/53/561823153.db2.gz SNOHGEVGQIQRCN-UHFFFAOYSA-N 1 2 557.695 5.995 1 0 KKAFLO CCOC(=O)C1=C(COCCn2c(C)[nH+]c3ccccc32)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026835775 561824257 /nfs/dbraw/zinc/82/42/57/561824257.db2.gz ACOSGMPJKYRYTI-CSDVYFTRSA-N 1 2 586.092 6.367 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026960642 561829679 /nfs/dbraw/zinc/82/96/79/561829679.db2.gz IKTCQXBLEMUSIF-RDPSFJRHSA-N 1 2 545.558 5.408 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026960642 561829681 /nfs/dbraw/zinc/82/96/81/561829681.db2.gz IKTCQXBLEMUSIF-RDPSFJRHSA-N 1 2 545.558 5.408 1 0 KKAFLO CC(C)(Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000026982198 561831477 /nfs/dbraw/zinc/83/14/77/561831477.db2.gz PMGGRLQMDMDZDE-BHVANESWSA-N 1 2 673.814 5.993 1 0 KKAFLO CC(C)(Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000026982198 561831479 /nfs/dbraw/zinc/83/14/79/561831479.db2.gz PMGGRLQMDMDZDE-BHVANESWSA-N 1 2 673.814 5.993 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCCSc1ccccn1 ZINC000027102487 561839173 /nfs/dbraw/zinc/83/91/73/561839173.db2.gz SQVHGRVONUSHGR-YDPTYEFTSA-N 1 2 692.927 5.357 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCCSc1ccccn1 ZINC000027102487 561839175 /nfs/dbraw/zinc/83/91/75/561839175.db2.gz SQVHGRVONUSHGR-YDPTYEFTSA-N 1 2 692.927 5.357 1 0 KKAFLO COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cn1 ZINC000027524625 561865761 /nfs/dbraw/zinc/86/57/61/561865761.db2.gz OBWCIXSXYKHZQK-UHFFFAOYSA-N 1 2 544.656 5.082 1 0 KKAFLO S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000027527016 561866523 /nfs/dbraw/zinc/86/65/23/561866523.db2.gz UMVYKPZHWHAJNS-UHFFFAOYSA-N 1 2 604.405 7.314 1 0 KKAFLO O=C(CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(Oc1ccccc1)Oc1ccccc1)O[C@@H]1CCc2ccccc21 ZINC000027558025 561870046 /nfs/dbraw/zinc/87/00/46/561870046.db2.gz IQQAVYLNAMYSPL-QPPIDDCLSA-N 1 2 674.734 7.900 1 0 KKAFLO C[C@@H](Nc1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1)c1ccccc1 ZINC000027865350 561887704 /nfs/dbraw/zinc/88/77/04/561887704.db2.gz DTSRVIPSGXHWMM-JPYJTQIMSA-N 1 2 527.518 6.466 1 0 KKAFLO C[NH+]1CCN(C2CCN(C(=O)c3ccc4n3Cc3ccccc3N(C(=O)c3ccc(NC(=O)c5ccccc5-c5ccccc5)cc3Cl)C4)CC2)CC1 ZINC000027871511 561888422 /nfs/dbraw/zinc/88/84/22/561888422.db2.gz UHNJWHQAMVHFMQ-UHFFFAOYSA-N 1 2 727.309 7.122 1 0 KKAFLO CCOC(=O)CCCC/C=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027878359 561888912 /nfs/dbraw/zinc/88/89/12/561888912.db2.gz YAFPSVKRAMYDBE-XMEUFVCPSA-N 1 2 705.328 8.711 1 0 KKAFLO CCOC(=O)CCCC/C=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027878359 561888913 /nfs/dbraw/zinc/88/89/13/561888913.db2.gz YAFPSVKRAMYDBE-XMEUFVCPSA-N 1 2 705.328 8.711 1 0 KKAFLO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000028129221 561905399 /nfs/dbraw/zinc/90/53/99/561905399.db2.gz UBRKWDVBMWUPSI-URLMMPGGSA-N 1 2 677.189 5.772 1 0 KKAFLO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000028129221 561905401 /nfs/dbraw/zinc/90/54/01/561905401.db2.gz UBRKWDVBMWUPSI-URLMMPGGSA-N 1 2 677.189 5.772 1 0 KKAFLO COc1cc(N2CCOCC2)[nH+]c(-c2ccccc2)c1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028131090 561905638 /nfs/dbraw/zinc/90/56/38/561905638.db2.gz MMHBZMDUVPJMOS-UHFFFAOYSA-N 1 2 553.503 5.904 1 0 KKAFLO Cn1cc(NC(=O)c2sc3ccccc3c2Cl)cc1C(=O)Nc1cc(-c2nc3cc(C(=O)NCC[NH+]4CCOCC4)ccc3[nH]2)n(C)c1 ZINC000028252934 561911153 /nfs/dbraw/zinc/91/11/53/561911153.db2.gz UFRSLQRIYFZSBQ-UHFFFAOYSA-N 1 2 685.210 5.342 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CCN1c1cccc(Cl)c1 ZINC000028260554 561912020 /nfs/dbraw/zinc/91/20/20/561912020.db2.gz UUVHQULSIKGMES-UHFFFAOYSA-N 1 2 541.961 5.394 1 0 KKAFLO CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028330747 561912738 /nfs/dbraw/zinc/91/27/38/561912738.db2.gz INNDGUNGHHCVFO-UHFFFAOYSA-N 1 2 566.422 5.758 1 0 KKAFLO CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028332800 561912954 /nfs/dbraw/zinc/91/29/54/561912954.db2.gz NWUCPBLQECHRFK-UHFFFAOYSA-N 1 2 616.504 5.554 1 0 in-vivo KKAFLO CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCN(c4cnccn4)CC3)c2)cc1C(F)(F)F ZINC000028353107 561915774 /nfs/dbraw/zinc/91/57/74/561915774.db2.gz VQRBTWJTWULZRM-UHFFFAOYSA-N 1 2 535.639 7.159 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028366284 561917638 /nfs/dbraw/zinc/91/76/38/561917638.db2.gz DYQWXULBDYXHII-UHFFFAOYSA-N 1 2 666.125 6.880 1 0 KKAFLO C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H]([NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)[C@@H]12 ZINC000028456802 561923996 /nfs/dbraw/zinc/92/39/96/561923996.db2.gz DTGJHQGHJDTHDH-MQVXAWSOSA-N 1 2 608.783 5.668 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2ccccc2C(F)(F)F)cc1 ZINC000028522986 561929841 /nfs/dbraw/zinc/92/98/41/561929841.db2.gz BDBGRYWLAOVVDC-RUZDIDTESA-N 1 2 558.597 5.221 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2cccc(OC(F)(F)F)c2)cc1 ZINC000028525201 561931091 /nfs/dbraw/zinc/93/10/91/561931091.db2.gz XITDJHAGQJZLKV-RUZDIDTESA-N 1 2 574.596 5.101 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCCCCN3CC(C)C)cc1 ZINC000028570223 561938640 /nfs/dbraw/zinc/93/86/40/561938640.db2.gz HSXOXWBHCVUZRD-WXXUAQEFSA-N 1 2 725.012 9.522 1 0 KKAFLO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2cc(Cl)c(Cl)cc2C(=O)CCc2ccccc2)CC1 ZINC000028636860 561941455 /nfs/dbraw/zinc/94/14/55/561941455.db2.gz QDIPNTFLYXEGQD-QHCPKHFHSA-N 1 2 527.492 5.679 1 0 KKAFLO CNc1cc(-c2cccnc2Oc2cc(NC(=O)c3cccc(OC(F)(F)C(F)F)c3)ccc2C)cc[nH+]1 ZINC000028896931 561979139 /nfs/dbraw/zinc/97/91/39/561979139.db2.gz BOECRTNECUVVNV-UHFFFAOYSA-N 1 2 526.490 6.775 1 0 KKAFLO CCc1nc2cc3c(c(Br)c2o1)CC[N@H+](CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127127 561999474 /nfs/dbraw/zinc/99/94/74/561999474.db2.gz YGOJZWAMJUGUJD-UHFFFAOYSA-N 1 2 577.552 5.998 1 0 KKAFLO CCc1nc2cc3c(c(Br)c2o1)CC[N@@H+](CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127127 561999475 /nfs/dbraw/zinc/99/94/75/561999475.db2.gz YGOJZWAMJUGUJD-UHFFFAOYSA-N 1 2 577.552 5.998 1 0 KKAFLO CCc1nc2cc3c(c(Br)c2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127508 561999949 /nfs/dbraw/zinc/99/99/49/561999949.db2.gz VYZFKCYKUBTWCJ-UHFFFAOYSA-N 1 2 591.579 6.388 1 0 KKAFLO CCc1nc2cc3c(c(Br)c2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127508 561999951 /nfs/dbraw/zinc/99/99/51/561999951.db2.gz VYZFKCYKUBTWCJ-UHFFFAOYSA-N 1 2 591.579 6.388 1 0 KKAFLO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(C)(C)C)oc5c(Br)c4CC3)n2C)n1 ZINC000029127506 561999979 /nfs/dbraw/zinc/99/99/79/561999979.db2.gz IKHRYIGPRIAKFA-UHFFFAOYSA-N 1 2 619.633 7.123 1 0 KKAFLO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(C)(C)C)oc5c(Br)c4CC3)n2C)n1 ZINC000029127506 561999981 /nfs/dbraw/zinc/99/99/81/561999981.db2.gz IKHRYIGPRIAKFA-UHFFFAOYSA-N 1 2 619.633 7.123 1 0 KKAFLO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029391928 562017561 /nfs/dbraw/zinc/01/75/61/562017561.db2.gz CVMYBVZPBADLDU-GGXMVOPNSA-N 1 2 572.558 5.518 1 0 KKAFLO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029464436 562023847 /nfs/dbraw/zinc/02/38/47/562023847.db2.gz AXMCBKVTDXJSIS-UHFFFAOYSA-N 1 2 510.682 5.474 1 0 KKAFLO CC1=C(C[N@@H+]2CCC[C@H]2COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)[C@H]2C(C)=C(OCc3ccccc3)C(C)=C(C)[C@@H]2O1 ZINC000029560614 562033047 /nfs/dbraw/zinc/03/30/47/562033047.db2.gz WVDCGUJDPGZFDC-CUFPPFHBSA-N 1 2 600.781 6.554 1 0 KKAFLO CC1=C(C[N@H+]2CCC[C@H]2COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)[C@H]2C(C)=C(OCc3ccccc3)C(C)=C(C)[C@@H]2O1 ZINC000029560614 562033048 /nfs/dbraw/zinc/03/30/48/562033048.db2.gz WVDCGUJDPGZFDC-CUFPPFHBSA-N 1 2 600.781 6.554 1 0 KKAFLO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3cccc(Cl)c3Cl)CC2)c2ccccc21 ZINC000029544548 562029374 /nfs/dbraw/zinc/02/93/74/562029374.db2.gz GNHUJOIJYZOGIY-AREMUKBSSA-N 1 2 602.584 5.008 1 0 KKAFLO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3c(Cl)cccc3Cl)CC2)c2ccccc21 ZINC000029544894 562029426 /nfs/dbraw/zinc/02/94/26/562029426.db2.gz KMZGWQBSAMFWQD-HHHXNRCGSA-N 1 2 602.584 5.008 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029561048 562033187 /nfs/dbraw/zinc/03/31/87/562033187.db2.gz VDGCNOYTIPMBBA-SHSRKSKBSA-N 1 2 614.808 6.883 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029561048 562033189 /nfs/dbraw/zinc/03/31/89/562033189.db2.gz VDGCNOYTIPMBBA-SHSRKSKBSA-N 1 2 614.808 6.883 1 0 KKAFLO NC(=O)[C@@H](Cc1ccc(O)cc1)[N@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccc(Br)cc1 ZINC000029562971 562033718 /nfs/dbraw/zinc/03/37/18/562033718.db2.gz SOBPOFPCTSXOHD-XMMPIXPASA-N 1 2 540.845 5.562 1 0 KKAFLO NC(=O)[C@@H](Cc1ccc(O)cc1)[N@@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccc(Br)cc1 ZINC000029562971 562033719 /nfs/dbraw/zinc/03/37/19/562033719.db2.gz SOBPOFPCTSXOHD-XMMPIXPASA-N 1 2 540.845 5.562 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029563524 562033771 /nfs/dbraw/zinc/03/37/71/562033771.db2.gz MDPULBLYZQWTKD-WWNPGLIZSA-N 1 2 524.683 5.010 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029563524 562033772 /nfs/dbraw/zinc/03/37/72/562033772.db2.gz MDPULBLYZQWTKD-WWNPGLIZSA-N 1 2 524.683 5.010 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccc(F)cc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000036160578 562048501 /nfs/dbraw/zinc/04/85/01/562048501.db2.gz YHJMQEBMDVYYBG-DITALETJSA-N 1 2 644.832 7.209 1 0 KKAFLO COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cn2)c(F)c1 ZINC000036161551 562048752 /nfs/dbraw/zinc/04/87/52/562048752.db2.gz AQTHFBFIIZVTTQ-UHFFFAOYSA-N 1 2 556.613 5.384 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)NCCc4c(Cl)cccc4Cl)nc3)c2cc1OC ZINC000035851191 562045509 /nfs/dbraw/zinc/04/55/09/562045509.db2.gz SGABTMFQMHIAOQ-UHFFFAOYSA-N 1 2 513.381 6.110 1 0 KKAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000036330415 562055760 /nfs/dbraw/zinc/05/57/60/562055760.db2.gz IOTNSECWYWCDGM-MHZLTWQESA-N 1 2 517.427 5.569 1 0 KKAFLO CCCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338821 562057227 /nfs/dbraw/zinc/05/72/27/562057227.db2.gz IQDKZLHBQUEUDC-UHFFFAOYSA-N 1 2 554.764 6.209 1 0 KKAFLO CCCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338821 562057229 /nfs/dbraw/zinc/05/72/29/562057229.db2.gz IQDKZLHBQUEUDC-UHFFFAOYSA-N 1 2 554.764 6.209 1 0 KKAFLO CCCN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338821 562057230 /nfs/dbraw/zinc/05/72/30/562057230.db2.gz IQDKZLHBQUEUDC-UHFFFAOYSA-N 1 2 554.764 6.209 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1cccc(Cl)c1 ZINC000036338822 562057281 /nfs/dbraw/zinc/05/72/81/562057281.db2.gz MSHIDVJWNMVTDI-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1)C(=O)Nc1cccc(Cl)c1 ZINC000036338822 562057284 /nfs/dbraw/zinc/05/72/84/562057284.db2.gz MSHIDVJWNMVTDI-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000036338827 562057302 /nfs/dbraw/zinc/05/73/02/562057302.db2.gz QWGVEQIQNCTOIQ-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000036338827 562057304 /nfs/dbraw/zinc/05/73/04/562057304.db2.gz QWGVEQIQNCTOIQ-UHFFFAOYSA-N 1 2 547.128 5.774 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5C(F)(F)F)s4)n[nH]c2-3)CC1 ZINC000036338880 562057478 /nfs/dbraw/zinc/05/74/78/562057478.db2.gz OLXWFZOBAFYNHM-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5C(F)(F)F)s4)n[nH]c2-3)CC1 ZINC000036338880 562057480 /nfs/dbraw/zinc/05/74/80/562057480.db2.gz OLXWFZOBAFYNHM-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)s2)CC1 ZINC000036338880 562057482 /nfs/dbraw/zinc/05/74/82/562057482.db2.gz OLXWFZOBAFYNHM-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCC[NH+]4CCOCC4)c(OC)c3)n2)c(OC)c1 ZINC000036758580 562061424 /nfs/dbraw/zinc/06/14/24/562061424.db2.gz GWYGTWXYFRMPAH-UHFFFAOYSA-N 1 2 659.740 5.920 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000038139344 562062576 /nfs/dbraw/zinc/06/25/76/562062576.db2.gz LGPVYHPODBBHSS-UHFFFAOYSA-N 1 2 564.130 5.598 1 0 KKAFLO COc1ccc(C(c2ccc(OC)cc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000038662794 562072325 /nfs/dbraw/zinc/07/23/25/562072325.db2.gz CBDZLOJIUYHCHO-UHFFFAOYSA-N 1 2 520.673 6.160 1 0 KKAFLO Fc1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)c(F)c1 ZINC000040424959 562076433 /nfs/dbraw/zinc/07/64/33/562076433.db2.gz SBCNUOJFSBXJNV-UHFFFAOYSA-N 1 2 508.597 7.765 1 0 KKAFLO COc1cc(CC[C@H](C[C@H](CC[C@H](CO)CCCc2ccccc2)OC(C)=O)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629412 560068399 /nfs/dbraw/zinc/06/83/99/560068399.db2.gz CBZYVBGBGMDFGU-JJZPZGAKSA-N 1 2 592.733 5.643 1 0 biogenic,in-vitro KKAFLO C[C@H](Nc1cc(NC[C@@H]2CCCO2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043064226 562645323 /nfs/dbraw/zinc/64/53/23/562645323.db2.gz FNRFOAUMMQZSTK-PDIWNELESA-N 1 2 515.883 6.310 1 0 KKAFLO C[C@H](Nc1cc(NC[C@@H]2CCCO2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043064226 562645324 /nfs/dbraw/zinc/64/53/24/562645324.db2.gz FNRFOAUMMQZSTK-PDIWNELESA-N 1 2 515.883 6.310 1 0 KKAFLO CC[C@H](Nc1cc(NC2CCCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043068197 562645466 /nfs/dbraw/zinc/64/54/66/562645466.db2.gz JSTLXIZEPWLMKS-DQEYMECFSA-N 1 2 527.938 7.854 1 0 KKAFLO CC[C@H](Nc1cc(NC2CCCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043068197 562645467 /nfs/dbraw/zinc/64/54/67/562645467.db2.gz JSTLXIZEPWLMKS-DQEYMECFSA-N 1 2 527.938 7.854 1 0 KKAFLO C[C@H](Nc1cc(N2CCC(C)CC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043075855 562645704 /nfs/dbraw/zinc/64/57/04/562645704.db2.gz POQLBBYRSGLKNL-YADARESESA-N 1 2 513.911 6.956 1 0 KKAFLO C[C@H](Nc1cc(N2CCC(C)CC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043075855 562645705 /nfs/dbraw/zinc/64/57/05/562645705.db2.gz POQLBBYRSGLKNL-YADARESESA-N 1 2 513.911 6.956 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)nn1)OC1CCCC1 ZINC000043543969 562649588 /nfs/dbraw/zinc/64/95/88/562649588.db2.gz CENPSRMENHBYJI-HEVIKAOCSA-N 1 2 628.217 6.479 1 0 KKAFLO COc1cccc2c(-c3ccc4c(c3OCc3ccc(C(F)(F)F)cc3)[C@@H](C)[NH2+][C@H](C)C4)c(C)cc(OC)c12 ZINC000044388065 562656272 /nfs/dbraw/zinc/65/62/72/562656272.db2.gz AJTNJTGKCZMLNG-WOJBJXKFSA-N 1 2 535.606 8.025 1 0 KKAFLO CN(C)[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000044430805 562657690 /nfs/dbraw/zinc/65/76/90/562657690.db2.gz FLGGLKJGPGVLGU-FQEVSTJZSA-N 1 2 578.371 7.186 1 0 KKAFLO C[C@@H](CN1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167523 562658011 /nfs/dbraw/zinc/65/80/11/562658011.db2.gz KBBTZNWIQSYFEJ-IBGZPJMESA-N 1 2 521.587 5.738 1 0 KKAFLO OCCCC1CCN(c2c3cccc(C(F)(F)F)c3[nH+]cc2C2N=NC(=S)N2Cc2ccccc2)CC1 ZINC000045318934 562660920 /nfs/dbraw/zinc/66/09/20/562660920.db2.gz WHEQNAIGXWOTGG-UHFFFAOYSA-N 1 2 527.616 5.838 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C ZINC000049088878 562664363 /nfs/dbraw/zinc/66/43/63/562664363.db2.gz CVFXBFRIDRAJBH-MUUNZHRXSA-N 1 2 504.417 6.184 1 0 KKAFLO O=C(NCc1cccc(OC(F)(F)F)c1)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCc1c[nH]c[nH+]1 ZINC000049626386 562667180 /nfs/dbraw/zinc/66/71/80/562667180.db2.gz ZWQXFQIEXKTQNA-UHFFFAOYSA-N 1 2 572.551 5.283 1 0 KKAFLO O=C(NCc1cccc(OC(F)(F)F)c1)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCc1c[nH+]c[nH]1 ZINC000049626386 562667181 /nfs/dbraw/zinc/66/71/81/562667181.db2.gz ZWQXFQIEXKTQNA-UHFFFAOYSA-N 1 2 572.551 5.283 1 0 KKAFLO C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000049639632 562667768 /nfs/dbraw/zinc/66/77/68/562667768.db2.gz UUPKKYWOMUYXMX-GDLZYMKVSA-N 1 2 661.785 8.283 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4cc(Cc5ccccc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049679799 562669015 /nfs/dbraw/zinc/66/90/15/562669015.db2.gz SEJFSSIRSRIMHC-UHFFFAOYSA-N 1 2 584.632 6.433 1 0 KKAFLO CCCCc1[nH+]cc(COC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000049694718 562669709 /nfs/dbraw/zinc/66/97/09/562669709.db2.gz JAFSIHNJRLAXCK-UHFFFAOYSA-N 1 2 634.825 7.708 1 0 KKAFLO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)[NH2+][C@]32c3ccccc3N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000049710757 562671783 /nfs/dbraw/zinc/67/17/83/562671783.db2.gz RGXIFMIXXMRVPN-MNWPWMLJSA-N 1 2 683.849 7.126 1 0 KKAFLO Cc1cc(OC[C@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4[nH+]c(C)cc(OC[C@H]5CCCO5)c4c3)ccc2n1 ZINC000049722987 562672786 /nfs/dbraw/zinc/67/27/86/562672786.db2.gz MZWJZNPINJXXFH-DNQXCXABSA-N 1 2 570.646 5.093 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH+]c(C2CCCCC2)[nH]1)C(=O)NCc1ccccc1 ZINC000049723084 562672896 /nfs/dbraw/zinc/67/28/96/562672896.db2.gz IFZVJMRCMCQRBR-KYJUHHDHSA-N 1 2 612.775 5.418 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCCC2)[nH+]1)C(=O)NCc1ccccc1 ZINC000049723084 562672897 /nfs/dbraw/zinc/67/28/97/562672897.db2.gz IFZVJMRCMCQRBR-KYJUHHDHSA-N 1 2 612.775 5.418 1 0 KKAFLO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000049756016 562674787 /nfs/dbraw/zinc/67/47/87/562674787.db2.gz DJLKNUBTQXXGKD-UHFFFAOYSA-N 1 2 560.645 6.978 1 0 KKAFLO O=C(C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1)N(c1ccccc1)c1ccccc1 ZINC000049762255 562676410 /nfs/dbraw/zinc/67/64/10/562676410.db2.gz GGKXNHJATNHIDB-HKBQPEDESA-N 1 2 530.499 7.065 1 0 KKAFLO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049765559 562676922 /nfs/dbraw/zinc/67/69/22/562676922.db2.gz UBRKWDVBMWUPSI-WDYNHAJCSA-N 1 2 677.189 5.772 1 0 KKAFLO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049765559 562676923 /nfs/dbraw/zinc/67/69/23/562676923.db2.gz UBRKWDVBMWUPSI-WDYNHAJCSA-N 1 2 677.189 5.772 1 0 KKAFLO CO[C@H](c1c[nH+]cn1C)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000049766331 562676999 /nfs/dbraw/zinc/67/69/99/562676999.db2.gz COHUSASWFICNNZ-SVBPBHIXSA-N 1 2 536.076 5.352 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)C[N@@H+](Cc1cnc[nH]1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049777902 562680670 /nfs/dbraw/zinc/68/06/70/562680670.db2.gz GSCQTFZOCSWXSI-SVBPBHIXSA-N 1 2 645.811 5.200 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)C[N@H+](Cc1cnc[nH]1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049777902 562680671 /nfs/dbraw/zinc/68/06/71/562680671.db2.gz GSCQTFZOCSWXSI-SVBPBHIXSA-N 1 2 645.811 5.200 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000049793895 562685280 /nfs/dbraw/zinc/68/52/80/562685280.db2.gz XZHZFGUXXGUAHZ-UHFFFAOYSA-N 1 2 613.728 7.408 1 0 KKAFLO COC1(c2cc(F)cc(OCCC[N@@H+]3CCc4c(c5ccccc5n4C(=O)c4ccccc4)C3)c2)CCOCC1 ZINC000049803237 562686093 /nfs/dbraw/zinc/68/60/93/562686093.db2.gz MUNZCAUQYSGNEH-UHFFFAOYSA-N 1 2 542.651 5.948 1 0 KKAFLO COC1(c2cc(F)cc(OCCC[N@H+]3CCc4c(c5ccccc5n4C(=O)c4ccccc4)C3)c2)CCOCC1 ZINC000049803237 562686094 /nfs/dbraw/zinc/68/60/94/562686094.db2.gz MUNZCAUQYSGNEH-UHFFFAOYSA-N 1 2 542.651 5.948 1 0 KKAFLO NC(=O)CCC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(F)c4F)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049833393 562687762 /nfs/dbraw/zinc/68/77/62/562687762.db2.gz PWWVNKKSEQHDFS-OOWIMERYSA-N 1 2 695.182 5.552 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4ccc(Cl)cc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049841291 562688193 /nfs/dbraw/zinc/68/81/93/562688193.db2.gz XQBZZIGBQVDWRD-OOWIMERYSA-N 1 2 655.022 6.642 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4ccccc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049852155 562688832 /nfs/dbraw/zinc/68/88/32/562688832.db2.gz SIKYHAPPOORUGU-AYWVHJORSA-N 1 2 655.022 6.642 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049898804 562692883 /nfs/dbraw/zinc/69/28/83/562692883.db2.gz GWAFVGFJPSSQBN-WBBHLRKXSA-N 1 2 703.494 7.604 1 0 KKAFLO Cn1c[nH+]cc1CCCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21 ZINC000049917753 562693861 /nfs/dbraw/zinc/69/38/61/562693861.db2.gz LITSWUIBHZQXIQ-UHFFFAOYSA-N 1 2 699.724 7.541 1 0 KKAFLO Cc1cc(-c2nc3cc(CN4CC[NH+](C)CC4)ccc3[nH]2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000049918184 562694576 /nfs/dbraw/zinc/69/45/76/562694576.db2.gz NPWPNBDLXCNJEN-UHFFFAOYSA-N 1 2 541.099 5.763 1 0 KKAFLO Cc1cc(-c2nc3ccc(CN4CC[NH+](C)CC4)cc3[nH]2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000049918184 562694577 /nfs/dbraw/zinc/69/45/77/562694577.db2.gz NPWPNBDLXCNJEN-UHFFFAOYSA-N 1 2 541.099 5.763 1 0 KKAFLO Cc1cc(-c2nc3cc(C[NH+]4CCN(C)CC4)ccc3[nH]2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000049918184 562694578 /nfs/dbraw/zinc/69/45/78/562694578.db2.gz NPWPNBDLXCNJEN-UHFFFAOYSA-N 1 2 541.099 5.763 1 0 KKAFLO Cc1cc(-c2nc3ccc(C[NH+]4CCN(C)CC4)cc3[nH]2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000049918184 562694579 /nfs/dbraw/zinc/69/45/79/562694579.db2.gz NPWPNBDLXCNJEN-UHFFFAOYSA-N 1 2 541.099 5.763 1 0 KKAFLO CC[C@H](O)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938371 562695227 /nfs/dbraw/zinc/69/52/27/562695227.db2.gz YTNQLXVWNVGYJS-HKBQPEDESA-N 1 2 657.783 7.237 1 0 KKAFLO CC[C@H](O)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938371 562695228 /nfs/dbraw/zinc/69/52/28/562695228.db2.gz YTNQLXVWNVGYJS-HKBQPEDESA-N 1 2 657.783 7.237 1 0 KKAFLO O=C(CCCCCN1c2ccccc2Sc2ccccc21)NCc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)cc1 ZINC000052988086 562696078 /nfs/dbraw/zinc/69/60/78/562696078.db2.gz AQBPJOJJIZBFGV-UHFFFAOYSA-N 1 2 613.831 8.159 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2nc3ccccc3c(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000053296736 562697365 /nfs/dbraw/zinc/69/73/65/562697365.db2.gz QZKXLHGVGWUXET-UHFFFAOYSA-N 1 2 530.432 7.220 1 0 KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000058485982 562698095 /nfs/dbraw/zinc/69/80/95/562698095.db2.gz SHGYNXXABXGXNI-QIQHJGIESA-N 1 2 703.928 6.289 1 0 investigational KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000058485982 562698096 /nfs/dbraw/zinc/69/80/96/562698096.db2.gz SHGYNXXABXGXNI-QIQHJGIESA-N 1 2 703.928 6.289 1 0 investigational KKAFLO O=C(c1ccc(Nc2nc(NCCc3c[nH]c[nH+]3)nc3c2ncn3-c2cccc(Cl)c2)cc1)N1CCCCC1 ZINC000058538042 562698770 /nfs/dbraw/zinc/69/87/70/562698770.db2.gz BKFJGJPDTNSSAQ-UHFFFAOYSA-N 1 2 542.047 5.216 1 0 KKAFLO O=C(c1ccc(Nc2nc(NCCc3c[nH+]c[nH]3)nc3c2ncn3-c2cccc(Cl)c2)cc1)N1CCCCC1 ZINC000058538042 562698771 /nfs/dbraw/zinc/69/87/71/562698771.db2.gz BKFJGJPDTNSSAQ-UHFFFAOYSA-N 1 2 542.047 5.216 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2c(Cl)cc(Cl)cc2Cl)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000058554743 562699277 /nfs/dbraw/zinc/69/92/77/562699277.db2.gz XWOYELIINGSKQG-UHFFFAOYSA-N 1 2 676.012 7.917 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2c(Cl)cc(Cl)cc2Cl)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000058554743 562699278 /nfs/dbraw/zinc/69/92/78/562699278.db2.gz XWOYELIINGSKQG-UHFFFAOYSA-N 1 2 676.012 7.917 1 0 KKAFLO Cn1c(C(=O)N2CCC(C(N)=O)([NH+]3CCOCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058575878 562699647 /nfs/dbraw/zinc/69/96/47/562699647.db2.gz BNPSKGKNVULNAV-UHFFFAOYSA-N 1 2 575.924 5.112 1 0 KKAFLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058660687 562701419 /nfs/dbraw/zinc/70/14/19/562701419.db2.gz PKLYBOYMHPUXHN-MHZLTWQESA-N 1 2 562.457 5.556 1 0 KKAFLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058660687 562701420 /nfs/dbraw/zinc/70/14/20/562701420.db2.gz PKLYBOYMHPUXHN-MHZLTWQESA-N 1 2 562.457 5.556 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000059777373 562702230 /nfs/dbraw/zinc/70/22/30/562702230.db2.gz KMHCTBORDMUBQN-GDLZYMKVSA-N 1 2 596.555 5.872 1 0 KKAFLO COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c2nc[nH+]c3N)CC1 ZINC000063298104 562704439 /nfs/dbraw/zinc/70/44/39/562704439.db2.gz CFIBXVQLBVNOHW-UHFFFAOYSA-N 1 2 527.629 5.724 1 0 KKAFLO Clc1ccc2c(Nc3ccc(Nc4nc(NCc5ccccc5)nc(Nc5ccccc5)n4)cc3)cc[nH+]c2c1 ZINC000066077887 562710362 /nfs/dbraw/zinc/71/03/62/562710362.db2.gz VSDPWMPFYUQIQH-UHFFFAOYSA-N 1 2 545.050 7.916 1 0 KKAFLO COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4cc(-n5c[nH+]c(C)c5)cc(C(F)(F)F)c4)ccc3C)c2N)cc1 ZINC000066103757 562711607 /nfs/dbraw/zinc/71/16/07/562711607.db2.gz WMLPGQPEDIRROZ-UHFFFAOYSA-N 1 2 603.605 5.848 1 0 KKAFLO Brc1ccc(-c2[nH+]c3ccc(-c4nc5cc(Oc6ccccc6)ccc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066251639 562714533 /nfs/dbraw/zinc/71/45/33/562714533.db2.gz ODZYCPVRFIWQQY-UHFFFAOYSA-N 1 2 572.466 8.843 1 0 KKAFLO CC(=O)N(C)[C@H]1CCN(c2nc(Nc3ccc(C(F)(F)F)cc3)c3c([nH+]2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258695 562715077 /nfs/dbraw/zinc/71/50/77/562715077.db2.gz AWFVISZDKAPGAO-FQEVSTJZSA-N 1 2 593.576 5.315 1 0 KKAFLO Fc1ccc2[nH]c(-c3ccc4[nH+]c(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)nc2c1 ZINC000066262929 562715556 /nfs/dbraw/zinc/71/55/56/562715556.db2.gz RQAOGINHQHUPRW-UHFFFAOYSA-N 1 2 511.560 8.220 1 0 KKAFLO CCOc1cc(OC)ccc1C1=N[C@H](c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)N1C(=O)N1CC[NH+](CCO)CC1 ZINC000067990877 562715648 /nfs/dbraw/zinc/71/56/48/562715648.db2.gz PVRYEWOXWGDQHA-WDYNHAJCSA-N 1 2 686.445 5.894 1 0 KKAFLO CC(C)CN(CC[C@H](Cc1ccccc1)NC(=O)[C@H](CC[NH+]1CCOCC1)NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)OCc1cncs1 ZINC000068149837 562715791 /nfs/dbraw/zinc/71/57/91/562715791.db2.gz ZIPRFFCNESKMRB-PPTMTGTBSA-N 1 2 727.998 5.368 1 0 KKAFLO COc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000068150106 562715810 /nfs/dbraw/zinc/71/58/10/562715810.db2.gz PPEXQGGZFWGXPY-UHFFFAOYSA-N 1 2 632.488 6.440 1 0 KKAFLO C[N@@H+]1C[C@@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198778 562715916 /nfs/dbraw/zinc/71/59/16/562715916.db2.gz NZYBJQJYFGAOPV-JZAPAQGHSA-N 1 2 543.627 5.207 1 0 KKAFLO C[N@H+]1C[C@@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198778 562715917 /nfs/dbraw/zinc/71/59/17/562715917.db2.gz NZYBJQJYFGAOPV-JZAPAQGHSA-N 1 2 543.627 5.207 1 0 KKAFLO Cc1ccc2[nH]c(-c3ccc4[nH+]c(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)nc2c1 ZINC000071296231 562717460 /nfs/dbraw/zinc/71/74/60/562717460.db2.gz XZZSNRPZNFQNIX-UHFFFAOYSA-N 1 2 563.434 8.046 1 0 KKAFLO Cc1ccc2nc(-c3ccc4[nH+]c(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1 ZINC000071296231 562717461 /nfs/dbraw/zinc/71/74/61/562717461.db2.gz XZZSNRPZNFQNIX-UHFFFAOYSA-N 1 2 563.434 8.046 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071296956 562717636 /nfs/dbraw/zinc/71/76/36/562717636.db2.gz JOMAWLARCUAKPQ-PMERELPUSA-N 1 2 524.064 6.069 1 0 KKAFLO CCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109836 562721679 /nfs/dbraw/zinc/72/16/79/562721679.db2.gz FIAYRICGBDQHMX-MHZLTWQESA-N 1 2 504.428 6.941 1 0 KKAFLO CC(C)Oc1cc(NC(=N)c2ccc(N3CCCC3)cn2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccc(N4CCCC4)cn3)cc2OC(C)C)o1 ZINC000072111459 562721975 /nfs/dbraw/zinc/72/19/75/562721975.db2.gz IQOVVUHMUAHKIV-UHFFFAOYSA-N 1 2 712.899 9.053 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc(Nc3ccc(C(F)(F)F)cc3)c3c([nH+]2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000072115241 562722891 /nfs/dbraw/zinc/72/28/91/562722891.db2.gz CJEGOASZCHMBGO-NRFANRHFSA-N 1 2 651.656 7.069 1 0 KKAFLO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072115260 562722915 /nfs/dbraw/zinc/72/29/15/562722915.db2.gz UOZNFBXDMBMEMM-XJZGFZNOSA-N 1 2 631.486 5.364 1 0 KKAFLO COc1ccc(-c2ccc3[nH]c4c(c3c2)CC[N@@H+]2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000072136129 562727802 /nfs/dbraw/zinc/72/78/02/562727802.db2.gz BVPAABVAAJOULQ-NKZCRVDXSA-N 1 2 593.555 6.983 3 0 KKAFLO COc1ccc(-c2ccc3[nH]c4c(c3c2)CC[N@H+]2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000072136129 562727803 /nfs/dbraw/zinc/72/78/03/562727803.db2.gz BVPAABVAAJOULQ-NKZCRVDXSA-N 1 2 593.555 6.983 3 0 KKAFLO O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccnc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072141102 562729281 /nfs/dbraw/zinc/72/92/81/562729281.db2.gz PGNPUZWKFFJEBB-YQQIKOQYSA-N 1 2 520.633 5.017 3 0 KKAFLO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147720 562729814 /nfs/dbraw/zinc/72/98/14/562729814.db2.gz LUCJQRCTXXOATA-IZLXSDGUSA-N 1 2 675.053 7.153 1 0 KKAFLO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073165765 562734441 /nfs/dbraw/zinc/73/44/41/562734441.db2.gz HOUXWOLEVINFDL-HSZRJFAPSA-N 1 2 513.465 5.371 1 0 KKAFLO O=C(NCC[NH+]1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000073168310 562734671 /nfs/dbraw/zinc/73/46/71/562734671.db2.gz PRMHAEAYGNFVPS-UHFFFAOYSA-N 1 2 569.898 5.461 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000073200455 562736109 /nfs/dbraw/zinc/73/61/09/562736109.db2.gz KRRPKCRKNPIKLD-MUUNZHRXSA-N 1 2 582.528 5.475 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073222785 562736422 /nfs/dbraw/zinc/73/64/22/562736422.db2.gz BZDUJTPAUCQOHN-UHFFFAOYSA-N 1 2 595.572 5.739 1 0 in-vitro KKAFLO CC[C@@H](C)n1cc(NC(=O)c2ccc(/C=C/c3cnc4ccccc4c3)cc2)cc1C(=O)Nc1cc(C(=O)NCC[NH+]2CCOCC2)n(C)c1 ZINC000082136619 562738901 /nfs/dbraw/zinc/73/89/01/562738901.db2.gz MXXZXXPZOUDUTG-PCUWGRHASA-N 1 2 673.818 6.083 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNC(=O)C4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140085 562739305 /nfs/dbraw/zinc/73/93/05/562739305.db2.gz DXOXEKWGOFUGQU-GDLZYMKVSA-N 1 2 701.051 5.330 1 0 KKAFLO FC(F)(F)c1ccccc1[C@@H]1CCCN(c2cc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)nc[nH+]2)C1 ZINC000082151441 562739903 /nfs/dbraw/zinc/73/99/03/562739903.db2.gz SOPHCCVAJIMVFH-MWTRTKDXSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1ccccc1[C@@H]1CCCN(c2cc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH+]cn2)C1 ZINC000082151441 562739904 /nfs/dbraw/zinc/73/99/04/562739904.db2.gz SOPHCCVAJIMVFH-MWTRTKDXSA-N 1 2 561.439 7.404 1 0 KKAFLO COc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1C ZINC000082152022 562739987 /nfs/dbraw/zinc/73/99/87/562739987.db2.gz AWXNDQQJSZXZBT-GDLZYMKVSA-N 1 2 562.110 5.165 1 0 KKAFLO CC(C)(C)OCC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082153644 562740205 /nfs/dbraw/zinc/74/02/05/562740205.db2.gz VFNGMYZWUNSGRO-UUWRZZSWSA-N 1 2 709.715 5.975 1 0 KKAFLO CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082155913 562740636 /nfs/dbraw/zinc/74/06/36/562740636.db2.gz NGYPSZSTAMSVSF-WJOKGBTCSA-N 1 2 637.608 5.180 1 0 KKAFLO Nc1cc(-c2ccc(OCC(F)(F)F)cc2)c[nH+]c1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082157077 562740807 /nfs/dbraw/zinc/74/08/07/562740807.db2.gz DXVJLIKDWGNXEH-NRFANRHFSA-N 1 2 522.358 6.797 1 0 KKAFLO COCc1cc(OC)c(-c2nc3c(C)ccc([N@H+](CC4CC4)CC4CCOCC4)c3cc2C)c(OC)c1 ZINC000084669715 562748050 /nfs/dbraw/zinc/74/80/50/562748050.db2.gz ROQJFURODPHMET-UHFFFAOYSA-N 1 2 504.671 6.325 1 0 KKAFLO COCc1cc(OC)c(-c2nc3c(C)ccc([N@@H+](CC4CC4)CC4CCOCC4)c3cc2C)c(OC)c1 ZINC000084669715 562748051 /nfs/dbraw/zinc/74/80/51/562748051.db2.gz ROQJFURODPHMET-UHFFFAOYSA-N 1 2 504.671 6.325 1 0 KKAFLO O=c1oc2cc3ncnc(Nc4ccc(OCc5ccc(Cl)cc5)cc4)c3cc2n1CCC[NH+]1CCOCC1 ZINC000084710305 562750470 /nfs/dbraw/zinc/75/04/70/562750470.db2.gz JSGQKTYZIOFSIG-UHFFFAOYSA-N 1 2 546.027 5.236 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000095544142 562757659 /nfs/dbraw/zinc/75/76/59/562757659.db2.gz YZFTVGIGQKRBNP-BHBYDHKZSA-N 1 2 756.093 8.413 1 0 KKAFLO CCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)nc(NCc2csc(-c3ccccc3)n2)[nH+]1 ZINC000095555722 562761584 /nfs/dbraw/zinc/76/15/84/562761584.db2.gz NKFPLXBNRVEXKC-RUZDIDTESA-N 1 2 606.822 5.329 1 0 KKAFLO CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)[nH+]1 ZINC000095555722 562761585 /nfs/dbraw/zinc/76/15/85/562761585.db2.gz NKFPLXBNRVEXKC-RUZDIDTESA-N 1 2 606.822 5.329 1 0 KKAFLO CCCNc1nc(NCc2csc(-c3ccccc3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1 ZINC000095555722 562761586 /nfs/dbraw/zinc/76/15/86/562761586.db2.gz NKFPLXBNRVEXKC-RUZDIDTESA-N 1 2 606.822 5.329 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccncc4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095555848 562761644 /nfs/dbraw/zinc/76/16/44/562761644.db2.gz RTJOMYMKEGDIKQ-MUUNZHRXSA-N 1 2 595.725 5.019 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(Cl)cc4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095556562 562761807 /nfs/dbraw/zinc/76/18/07/562761807.db2.gz NCVCMCGABVFARZ-GDLZYMKVSA-N 1 2 629.182 6.277 1 0 KKAFLO COc1cc([C@H](C#CC(C)C)[N@@H+]2CC[C@H](CC(=O)[O-])C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000095556988 562761979 /nfs/dbraw/zinc/76/19/79/562761979.db2.gz MFXXCQOJSTXKBJ-CVTPTMSISA-N 1 2 553.625 6.837 1 0 KKAFLO COc1cc([C@H](C#CC(C)C)[N@H+]2CC[C@H](CC(=O)[O-])C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000095556988 562761980 /nfs/dbraw/zinc/76/19/80/562761980.db2.gz MFXXCQOJSTXKBJ-CVTPTMSISA-N 1 2 553.625 6.837 1 0 KKAFLO COc1ccc2c(c1)nc(-c1cccc(Br)c1)c(=O)n2[C@H](c1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000095566696 562765180 /nfs/dbraw/zinc/76/51/80/562765180.db2.gz QQYJDWYXJQUWOE-SANMLTNESA-N 1 2 538.405 5.744 3 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570466 562768214 /nfs/dbraw/zinc/76/82/14/562768214.db2.gz AIDUNWUCHWLKPO-QAJXPZEFSA-N 1 2 650.776 6.007 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570466 562768215 /nfs/dbraw/zinc/76/82/15/562768215.db2.gz AIDUNWUCHWLKPO-QAJXPZEFSA-N 1 2 650.776 6.007 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095570907 562768592 /nfs/dbraw/zinc/76/85/92/562768592.db2.gz JAKCSYUJAPGRJF-JGCGQSQUSA-N 1 2 510.645 6.619 3 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc6n[nH]cc6c5)nn4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000095572847 562769493 /nfs/dbraw/zinc/76/94/93/562769493.db2.gz PPBMKPYHIGDXNE-UHFFFAOYSA-N 1 2 543.513 5.279 1 0 KKAFLO C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2nc[nH+]c3N)C1 ZINC000095577405 562770934 /nfs/dbraw/zinc/77/09/34/562770934.db2.gz UVGDWWAPGZJHQN-PTGVWUEVSA-N 1 2 523.641 5.191 1 0 KKAFLO O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CC[NH2+]CC2)cc1F ZINC000095584682 562773354 /nfs/dbraw/zinc/77/33/54/562773354.db2.gz RBVZKAXRZCNGAE-UHFFFAOYSA-N 1 2 503.408 5.044 1 0 KKAFLO O=C(C1CC1)N1CCC[C@@H](Nc2nc(-n3c4cc(O)ccc4nc3-c3ccc4ccccc4c3)cc[nH+]2)C1 ZINC000095587066 562774222 /nfs/dbraw/zinc/77/42/22/562774222.db2.gz GQWKCVUFYCHSLR-HSZRJFAPSA-N 1 2 504.594 5.154 1 0 in-vitro KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095598900 562777645 /nfs/dbraw/zinc/77/76/45/562777645.db2.gz LGFCYAUQAJYOOY-RXDUGQIKSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095598900 562777646 /nfs/dbraw/zinc/77/76/46/562777646.db2.gz LGFCYAUQAJYOOY-RXDUGQIKSA-N 1 2 711.869 6.495 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095603037 562780295 /nfs/dbraw/zinc/78/02/95/562780295.db2.gz STCNQGKHPZHYJD-NWDSAUNBSA-N 1 2 711.826 6.096 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095603037 562780296 /nfs/dbraw/zinc/78/02/96/562780296.db2.gz STCNQGKHPZHYJD-NWDSAUNBSA-N 1 2 711.826 6.096 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095834667 562789408 /nfs/dbraw/zinc/78/94/08/562789408.db2.gz URUYPBZFUNKRKA-IXTDCBFRSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095834667 562789409 /nfs/dbraw/zinc/78/94/09/562789409.db2.gz URUYPBZFUNKRKA-IXTDCBFRSA-N 1 2 673.898 5.485 1 0 KKAFLO O=C(Nc1nc2ccc(CO)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258262 562792864 /nfs/dbraw/zinc/79/28/64/562792864.db2.gz JNYDHUIRDZZOOJ-UHFFFAOYSA-N 1 2 530.694 5.177 1 0 KKAFLO O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCC[NH+]4CCOCC4)cc3)n[nH]2)cc1)Nc1ccc(Cl)cc1 ZINC000096270652 562793324 /nfs/dbraw/zinc/79/33/24/562793324.db2.gz VWMMGKJBLQKXLI-UHFFFAOYSA-N 1 2 575.069 5.015 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2cccnc2)cc2c[nH]nc21 ZINC000096284749 562795347 /nfs/dbraw/zinc/79/53/47/562795347.db2.gz NMJMMGJSYZAVQK-LJAQVGFWSA-N 1 2 589.704 5.017 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2cccc(C(F)(F)F)c2)cc1 ZINC000096900230 562796735 /nfs/dbraw/zinc/79/67/35/562796735.db2.gz XNTIPHOHXROUDR-AREMUKBSSA-N 1 2 558.597 5.221 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@@H+](CCc1ccc(O)cc1)C3 ZINC000096906231 562798709 /nfs/dbraw/zinc/79/87/09/562798709.db2.gz UAYBKAUIAMKEOV-FHJKDGFESA-N 1 2 571.846 9.687 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@H+](CCc1ccc(O)cc1)C3 ZINC000096906231 562798710 /nfs/dbraw/zinc/79/87/10/562798710.db2.gz UAYBKAUIAMKEOV-FHJKDGFESA-N 1 2 571.846 9.687 1 0 KKAFLO O=CN1N=C(c2cccc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)C[C@H]1c1ccc(Br)cc1 ZINC000096921908 562801586 /nfs/dbraw/zinc/80/15/86/562801586.db2.gz GMERJTRSUOAOES-VWLOTQADSA-N 1 2 505.803 6.702 1 0 KKAFLO O=C1C[C@@H](c2ccccc2)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)sc2N1CCC[NH+]1CCOCC1 ZINC000096923472 562802078 /nfs/dbraw/zinc/80/20/78/562802078.db2.gz UIJDOWXGBMTKGM-MHZLTWQESA-N 1 2 577.577 7.980 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCCC(F)(F)F)n1Cc1ccc(C(=O)OC)cc1 ZINC000100715771 562807241 /nfs/dbraw/zinc/80/72/41/562807241.db2.gz QSEKBEFNBBISDU-QJOMJCCJSA-N 1 2 548.606 5.808 1 0 KKAFLO O[C@@H](COc1cccc2ncccc21)CN1CC[NH+]([C@@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(Cl)Cl)CC1 ZINC000101179001 562809663 /nfs/dbraw/zinc/80/96/63/562809663.db2.gz ISHQZWGKIWGKBX-CPESPADLSA-N 1 2 560.525 5.750 1 0 KKAFLO O[C@@H](COc1cccc2ncccc21)CN1CC[NH+]([C@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(Cl)Cl)CC1 ZINC000101178997 562809676 /nfs/dbraw/zinc/80/96/76/562809676.db2.gz ISHQZWGKIWGKBX-DBEBIPAYSA-N 1 2 560.525 5.750 1 0 KKAFLO COc1cccc(-c2cc(-c3cc4cc(Br)ccc4oc3=O)nc(NC[NH+]3CCCCC3)n2)c1 ZINC000103170085 562814746 /nfs/dbraw/zinc/81/47/46/562814746.db2.gz QUWDRKSRDMPTIY-UHFFFAOYSA-N 1 2 521.415 5.543 1 0 KKAFLO O=C(Nc1nc(-c2ccccc2)ns1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253794 562820568 /nfs/dbraw/zinc/82/05/68/562820568.db2.gz LQIDCJLIQRBPRI-UHFFFAOYSA-N 1 2 527.694 5.593 1 0 KKAFLO O=C(Nc1nc(-c2ccccc2)cs1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253797 562820589 /nfs/dbraw/zinc/82/05/89/562820589.db2.gz WQRWPKOUJGCXMK-UHFFFAOYSA-N 1 2 526.706 6.198 1 0 KKAFLO Cn1c[nH+]cc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCC3)CC2)c2ccc(Cl)cc21 ZINC000103266813 562822383 /nfs/dbraw/zinc/82/23/83/562822383.db2.gz TYNOFQUWLFNSFL-MFMCTBQISA-N 1 2 548.087 5.016 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267528 562822447 /nfs/dbraw/zinc/82/24/47/562822447.db2.gz UZJKPYROCWDXCX-UHFFFAOYSA-N 1 2 577.607 6.487 1 0 KKAFLO CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@H]1c1ccccc1-n1cc[nH+]c1 ZINC000103268272 562822647 /nfs/dbraw/zinc/82/26/47/562822647.db2.gz PHNSNDFSSDONGG-IZEXYCQBSA-N 1 2 600.789 5.680 1 0 KKAFLO COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CC[N@@H+](C)[C@H]3C2 ZINC000103289102 562824005 /nfs/dbraw/zinc/82/40/05/562824005.db2.gz YOVHRCLKMFXYAW-MHZLTWQESA-N 1 2 560.650 7.067 1 0 KKAFLO COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CC[N@H+](C)[C@H]3C2 ZINC000103289102 562824006 /nfs/dbraw/zinc/82/40/06/562824006.db2.gz YOVHRCLKMFXYAW-MHZLTWQESA-N 1 2 560.650 7.067 1 0 KKAFLO [NH3+][C@H]1CCCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114035783 562827037 /nfs/dbraw/zinc/82/70/37/562827037.db2.gz FWXBXIHVIWDHGF-SFHVURJKSA-N 1 2 549.462 5.968 1 0 KKAFLO C[NH+]1CCN(Cc2cccc(-c3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)c2)CC1 ZINC000114037522 562827156 /nfs/dbraw/zinc/82/71/56/562827156.db2.gz CKXMEAJOTBAUPV-UHFFFAOYSA-N 1 2 546.498 6.921 1 0 KKAFLO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N1CCN(CC[NH+]2CCCC2)CC1)C1CC1 ZINC000114038955 562827357 /nfs/dbraw/zinc/82/73/57/562827357.db2.gz RZLIDOFAGKVVMP-UHFFFAOYSA-N 1 2 523.052 5.210 1 0 KKAFLO O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)nc1)c1cccnc1 ZINC000114978391 562828538 /nfs/dbraw/zinc/82/85/38/562828538.db2.gz RGMINFZJHGBKLN-MUUNZHRXSA-N 1 2 547.080 6.032 1 0 KKAFLO O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccs1 ZINC000114980312 562828660 /nfs/dbraw/zinc/82/86/60/562828660.db2.gz TYLRESFCEBFZDI-SANMLTNESA-N 1 2 552.121 6.698 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)c(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000115492691 562828921 /nfs/dbraw/zinc/82/89/21/562828921.db2.gz SNGYBTZSHDKBLP-GDLZYMKVSA-N 1 2 614.747 5.276 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)c(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000115492691 562828922 /nfs/dbraw/zinc/82/89/22/562828922.db2.gz SNGYBTZSHDKBLP-GDLZYMKVSA-N 1 2 614.747 5.276 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)c(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000115492688 562828961 /nfs/dbraw/zinc/82/89/61/562828961.db2.gz SNGYBTZSHDKBLP-LJAQVGFWSA-N 1 2 614.747 5.276 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)c(F)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000115492688 562828962 /nfs/dbraw/zinc/82/89/62/562828962.db2.gz SNGYBTZSHDKBLP-LJAQVGFWSA-N 1 2 614.747 5.276 1 0 KKAFLO C[NH+](C)[C@@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115937838 562829062 /nfs/dbraw/zinc/82/90/62/562829062.db2.gz BGPAHUNSGVWHIG-SANMLTNESA-N 1 2 595.096 6.652 1 0 KKAFLO Cc1c(/C=C/c2ccccc2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092879 562830136 /nfs/dbraw/zinc/83/01/36/562830136.db2.gz WXRPCMQREDNGPF-MDZDMXLPSA-N 1 2 512.604 6.653 1 0 KKAFLO Cc1cc(C)cc(-c2[nH+]c3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118093278 562830144 /nfs/dbraw/zinc/83/01/44/562830144.db2.gz LGNVTDXCFXMSGD-UHFFFAOYSA-N 1 2 538.667 6.398 1 0 KKAFLO COc1cc(-c2[nH+]c3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)ccn1 ZINC000118096671 562830151 /nfs/dbraw/zinc/83/01/51/562830151.db2.gz ZGLJFGHARPUBIA-UHFFFAOYSA-N 1 2 559.617 5.324 1 0 KKAFLO Clc1ccc(Cl)c(C[NH+]2CCN(c3nc4cccc(Br)c4nc3NC3CC3)CC2)c1 ZINC000144409201 562836231 /nfs/dbraw/zinc/83/62/31/562836231.db2.gz FSRBMSDOIQLIBQ-UHFFFAOYSA-N 1 2 507.263 5.596 1 0 KKAFLO C[NH+](C)CNC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(O)CC1 ZINC000145503269 562837229 /nfs/dbraw/zinc/83/72/29/562837229.db2.gz KOOIWZMPFXLUDT-UHFFFAOYSA-N 1 2 545.687 6.081 1 0 KKAFLO COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(-c5[nH]cc[nH+]5)cc4)c3)cn3ccnc23)cc1OC ZINC000145579292 562837377 /nfs/dbraw/zinc/83/73/77/562837377.db2.gz SFETWERPDDYJNV-UHFFFAOYSA-N 1 2 531.576 5.800 1 0 KKAFLO CN(Cc1cc[nH+]c(N2CCCC2)c1)C(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145667607 562837481 /nfs/dbraw/zinc/83/74/81/562837481.db2.gz UPUITPHAGPXZHJ-RUZDIDTESA-N 1 2 526.662 6.269 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)C1 ZINC000147808189 562839610 /nfs/dbraw/zinc/83/96/10/562839610.db2.gz IXOBTMFRNBBJNA-HXUWFJFHSA-N 1 2 529.641 5.690 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)C1 ZINC000147808189 562839611 /nfs/dbraw/zinc/83/96/11/562839611.db2.gz IXOBTMFRNBBJNA-HXUWFJFHSA-N 1 2 529.641 5.690 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363913 562843339 /nfs/dbraw/zinc/84/33/39/562843339.db2.gz IBJYNRZEQITOHY-VIHJOENHSA-N 1 2 841.353 5.725 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363913 562843340 /nfs/dbraw/zinc/84/33/40/562843340.db2.gz IBJYNRZEQITOHY-VIHJOENHSA-N 1 2 841.353 5.725 1 0 KKAFLO CC[NH2+][C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)OCC ZINC000150591088 562846184 /nfs/dbraw/zinc/84/61/84/562846184.db2.gz RVNHZAFMVUUHKQ-MRXNPFEDSA-N 1 2 832.980 5.687 1 0 KKAFLO O[C@@H](COc1c(Br)cc(C2(c3cc(Br)c(OC[C@H](O)C[NH+]4CCOCC4)c(Br)c3)CCCC2)cc1Br)CN1CCOCC1 ZINC000150571443 562845088 /nfs/dbraw/zinc/84/50/88/562845088.db2.gz VXOHPPOEKZPICY-DNQXCXABSA-N 1 2 856.285 5.741 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cn(C)c[nH+]2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604156 562847553 /nfs/dbraw/zinc/84/75/53/562847553.db2.gz DKJJHJFCGCQNOZ-MCQSSSDPSA-N 1 2 756.999 6.255 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH+]2CCOCC2)C(=O)N[C@H](Cc2ccccc2)CN(Cc2ccccc2)C(=O)OCc2cncs2)cs1 ZINC000150607395 562848106 /nfs/dbraw/zinc/84/81/06/562848106.db2.gz HPCUDPZRFYSGPP-FJQKOURKSA-N 1 2 747.988 5.522 1 0 KKAFLO CN(CC(F)F)c1cc2c(cc1C(=O)Nc1ccc(F)c(Cl)c1)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000165389876 562850183 /nfs/dbraw/zinc/85/01/83/562850183.db2.gz BNBGLDQHDWBXPH-UHFFFAOYSA-N 1 2 669.963 8.032 1 0 KKAFLO CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000165551851 562850296 /nfs/dbraw/zinc/85/02/96/562850296.db2.gz ZQWGHUNBPCCOLE-MVSFAKPFSA-N 1 2 664.647 6.807 1 0 KKAFLO Fc1cccc(Nc2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCCCC3)n2)c1 ZINC000169322273 562856821 /nfs/dbraw/zinc/85/68/21/562856821.db2.gz OMRJGUDQXUDQRQ-UHFFFAOYSA-N 1 2 541.034 7.433 1 0 KKAFLO COc1ccccc1N1CC[NH+](CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327755 562858131 /nfs/dbraw/zinc/85/81/31/562858131.db2.gz HJMLYMYAWJITOM-UHFFFAOYSA-N 1 2 666.848 5.218 1 0 KKAFLO COc1ccccc1N1CC[NH+](CCn2c(C)nc3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327746 562858149 /nfs/dbraw/zinc/85/81/49/562858149.db2.gz HBKDXPFFGLQBAS-UHFFFAOYSA-N 1 2 553.688 5.003 1 0 KKAFLO COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)c(F)c1 ZINC000169333365 562859290 /nfs/dbraw/zinc/85/92/90/562859290.db2.gz WJERAQUDBCLVIR-UHFFFAOYSA-N 1 2 559.525 5.734 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)N[C@@H](c3ccccn3)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700904 562867807 /nfs/dbraw/zinc/86/78/07/562867807.db2.gz FBYWIUUGNDECTE-SANMLTNESA-N 1 2 712.551 7.560 1 0 KKAFLO C[C@@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F)C(F)(F)F ZINC000169703093 562868607 /nfs/dbraw/zinc/86/86/07/562868607.db2.gz JUDDPQGJGGXMOZ-GFCCVEGCSA-N 1 2 624.438 6.611 1 0 KKAFLO Cc1c(-c2cccnc2)[nH+]cn1-c1ccnc2c1c(C(C)C)nn2-c1ccc(C(N)=O)c(N(O)C2CCCCC2)c1 ZINC000169703501 562868801 /nfs/dbraw/zinc/86/88/01/562868801.db2.gz QXOMWQNQBJPRCT-UHFFFAOYSA-N 1 2 550.667 5.727 1 0 KKAFLO COC(=O)N[C@H](C(=O)N(C)[C@@H](C)c1[nH]cc(C2CCN(c3c(F)cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3F)CC2)[nH+]1)C(C)C ZINC000202702784 562873801 /nfs/dbraw/zinc/87/38/01/562873801.db2.gz YHBIACHKJAHHLH-RHFBVIABSA-N 1 2 769.895 5.406 1 0 KKAFLO C[NH+]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4cc(C(F)(F)F)c(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000219362708 562878107 /nfs/dbraw/zinc/87/81/07/562878107.db2.gz XHQKBFOEOOBPPM-UHFFFAOYSA-N 1 2 616.471 7.416 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000219358507 562878113 /nfs/dbraw/zinc/87/81/13/562878113.db2.gz QQDJCVSGOIKVID-UHFFFAOYSA-N 1 2 517.456 7.770 1 0 KKAFLO O=S(=O)(Nc1ncc(F)s1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2C2CC[NH2+]CC2)c1 ZINC000225057338 562880671 /nfs/dbraw/zinc/88/06/71/562880671.db2.gz GWMGJBFIGORRDV-UHFFFAOYSA-N 1 2 535.588 6.389 1 0 KKAFLO CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)OCC[NH+]1CCOCC1 ZINC000299828756 562884568 /nfs/dbraw/zinc/88/45/68/562884568.db2.gz HFNUPRAUBOYISL-SDNWHVSQSA-N 1 2 755.316 6.525 1 0 KKAFLO O=C1CC[NH+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)CC1 ZINC000299871217 562895668 /nfs/dbraw/zinc/89/56/68/562895668.db2.gz YBUQGACZUSRBBD-UHFFFAOYSA-N 1 2 533.459 6.905 1 0 KKAFLO CC(C)N1C(=O)c2ccc(N[C@H](CCc3ccc(N)[nH+]c3)P(=O)(Oc3ccccc3)Oc3ccccc3)cc2C1=O ZINC000473086123 562897057 /nfs/dbraw/zinc/89/70/57/562897057.db2.gz AWXWUULYKUOSIH-LJAQVGFWSA-N 1 2 570.586 6.220 1 0 KKAFLO Fc1cccc(COc2ccc(Nc3[nH+]ccc4ccc(-c5cccc(N6CCOCC6)c5)cc43)cc2Cl)c1 ZINC000473090823 562897602 /nfs/dbraw/zinc/89/76/02/562897602.db2.gz PNOHNHQQKJBOLB-UHFFFAOYSA-N 1 2 540.038 7.854 1 0 KKAFLO CN1C(=O)c2ccc(N[C@@H](CCc3ccc(N)[nH+]c3)P(=O)(Oc3ccccc3)Oc3ccccc3)cc2C1=O ZINC000473107303 562898322 /nfs/dbraw/zinc/89/83/22/562898322.db2.gz IMOIECVIGYILDF-HHHXNRCGSA-N 1 2 542.532 5.442 1 0 KKAFLO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3F)cc1)CC2 ZINC000473137225 562901164 /nfs/dbraw/zinc/90/11/64/562901164.db2.gz WZJWSCXKTIBYJR-UHFFFAOYSA-N 1 2 589.689 5.497 1 0 KKAFLO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3F)cc1)CC2 ZINC000473137225 562901165 /nfs/dbraw/zinc/90/11/65/562901165.db2.gz WZJWSCXKTIBYJR-UHFFFAOYSA-N 1 2 589.689 5.497 1 0 KKAFLO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccn3nccc3n2)C2CCCC2)nn1 ZINC000473154336 562902127 /nfs/dbraw/zinc/90/21/27/562902127.db2.gz GJWDUYBKAOXWIS-MNNSJKJDSA-N 1 2 587.622 5.452 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[NH+]2CCN(C)CC2)CC1 ZINC000473164979 562902884 /nfs/dbraw/zinc/90/28/84/562902884.db2.gz KDIZAFIVAVMWEY-KESTWPANSA-N 1 2 542.511 5.152 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000473165323 562902936 /nfs/dbraw/zinc/90/29/36/562902936.db2.gz XPMNOLGQYXKBRX-UHFFFAOYSA-N 1 2 507.421 6.273 1 0 KKAFLO CC(=O)c1c[nH+]c2cc(F)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473197878 562903711 /nfs/dbraw/zinc/90/37/11/562903711.db2.gz JVFHTJCGPRVBFO-UAPYVXQJSA-N 1 2 530.471 6.744 1 0 KKAFLO CC(=O)c1cnc2cc(F)c(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473198599 562903741 /nfs/dbraw/zinc/90/37/41/562903741.db2.gz RBQPNZDVWADWDU-UAPYVXQJSA-N 1 2 514.016 6.230 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000473213504 562903866 /nfs/dbraw/zinc/90/38/66/562903866.db2.gz UOWFDBQRXSPVDF-UHFFFAOYSA-N 1 2 504.993 5.801 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000473213457 562903884 /nfs/dbraw/zinc/90/38/84/562903884.db2.gz DNNXPAGXQYNMMV-SFHVURJKSA-N 1 2 537.451 5.213 1 0 KKAFLO O=C(Nc1cc(Oc2cc[nH+]cc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000473247919 562905026 /nfs/dbraw/zinc/90/50/26/562905026.db2.gz JNQJEJOYNMPQBZ-UHFFFAOYSA-N 1 2 517.532 6.460 1 0 KKAFLO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000653668780 562906069 /nfs/dbraw/zinc/90/60/69/562906069.db2.gz QPGMNRIILRXNKH-UHFFFAOYSA-N 1 2 553.648 5.217 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCC(CO)CC6)nc5)c4)nc(C)[nH+]3)cc12 ZINC000653685080 562906469 /nfs/dbraw/zinc/90/64/69/562906469.db2.gz YCHFYNWKXLMTAY-NRFANRHFSA-N 1 2 534.664 6.345 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653697668 562907090 /nfs/dbraw/zinc/90/70/90/562907090.db2.gz LBCVYJXWEBCACR-UHFFFAOYSA-N 1 2 658.763 5.768 1 0 KKAFLO O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc43)c(C[NH+]3CCOCC3)c(=O)n21 ZINC000653713127 562908175 /nfs/dbraw/zinc/90/81/75/562908175.db2.gz AVXFXSKDMCLCPB-LJAQVGFWSA-N 1 2 551.712 5.587 1 0 KKAFLO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(Cn3cc[nH+]c3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653748739 562910558 /nfs/dbraw/zinc/91/05/58/562910558.db2.gz QOMNQNPATGBGFV-UHFFFAOYSA-N 1 2 560.441 6.262 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCC[NH+]3CCCCC3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653751516 562910689 /nfs/dbraw/zinc/91/06/89/562910689.db2.gz FWWUCWDEWCUKCM-UHFFFAOYSA-N 1 2 668.864 6.634 1 0 KKAFLO Cc1cc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c[nH+]c1N1CCOCC1 ZINC000653754305 562910827 /nfs/dbraw/zinc/91/08/27/562910827.db2.gz HRBMFIZMLCJDNJ-UHFFFAOYSA-N 1 2 556.041 6.952 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5ccc(N6CCC(O)CC6)[nH+]c5)c4)nc(C)n3)cc12 ZINC000653755691 562910937 /nfs/dbraw/zinc/91/09/37/562910937.db2.gz RQYBBVMTPMDDNL-NRFANRHFSA-N 1 2 519.649 6.703 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=[NH+]1 ZINC000653757809 562911091 /nfs/dbraw/zinc/91/10/91/562911091.db2.gz FBXDRXUYFZHBFJ-MHZLTWQESA-N 1 2 537.027 5.396 1 0 KKAFLO COc1ccc(Oc2ccccc2C[NH+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccc2Oc2ccc(OC)cc2)cc1 ZINC000653761024 562911346 /nfs/dbraw/zinc/91/13/46/562911346.db2.gz ZGKLOMPLPGZQFL-LJAQVGFWSA-N 1 2 542.632 6.093 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)N[C@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653763578 562911505 /nfs/dbraw/zinc/91/15/05/562911505.db2.gz VWNGTTNKRUNTFF-GDLZYMKVSA-N 1 2 571.685 5.656 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)N[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653763507 562911514 /nfs/dbraw/zinc/91/15/14/562911514.db2.gz JBQLJPNVSMAEBZ-QHCPKHFHSA-N 1 2 555.686 6.684 1 0 KKAFLO CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000653765580 562911630 /nfs/dbraw/zinc/91/16/30/562911630.db2.gz FIBJUGYQBXPYLB-VWLOTQADSA-N 1 2 571.414 5.008 1 0 KKAFLO C=CC(=O)NCC[NH+]1CCN(Cc2ccc(-c3nnc(-c4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)o3)cc2C(F)(F)F)CC1 ZINC000653803283 562913512 /nfs/dbraw/zinc/91/35/12/562913512.db2.gz KZDRPFIKCMNVET-UHFFFAOYSA-N 1 2 669.712 5.746 1 0 KKAFLO C=CC(=O)NCCN1CC[NH+](Cc2ccc(-c3nnc(-c4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)o3)cc2C(F)(F)F)CC1 ZINC000653803283 562913513 /nfs/dbraw/zinc/91/35/13/562913513.db2.gz KZDRPFIKCMNVET-UHFFFAOYSA-N 1 2 669.712 5.746 1 0 KKAFLO C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@H](c2ccc(N)[nH+]c2)[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 ZINC000085594646 565152107 /nfs/dbraw/zinc/15/21/07/565152107.db2.gz KJDPZEBBKNQZHO-XRERNHMMSA-N 1 2 620.746 6.294 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)[C@H](O)C(=O)CCCCCCC2CCCCC2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631481 565164488 /nfs/dbraw/zinc/16/44/88/565164488.db2.gz COCNRBJYZGTWQX-VSCQPYOZSA-N 1 2 656.844 6.225 1 0 biogenic,in-vitro KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CC[NH+](CCc3cccc4ccccc43)CC1)O2 ZINC000001486418 561675967 /nfs/dbraw/zinc/67/59/67/561675967.db2.gz KVIRFFFBTUTUIZ-UHFFFAOYSA-N 1 2 545.661 5.288 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000003917290 561685176 /nfs/dbraw/zinc/68/51/76/561685176.db2.gz HDGVZUWMGHDPLU-MFMCTBQISA-N 1 2 669.068 5.117 1 0 KKAFLO c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000003938046 561688794 /nfs/dbraw/zinc/68/87/94/561688794.db2.gz ABNSVKOEGMDRJR-UHFFFAOYSA-N 1 2 548.715 9.154 1 0 KKAFLO Oc1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COCCOCCOCCOCCOC2 ZINC000005841176 561699321 /nfs/dbraw/zinc/69/93/21/561699321.db2.gz COAIIDHOLUTVHX-UHFFFAOYSA-O 1 2 618.750 6.767 1 0 KKAFLO CCOC(=O)N1CC[NH+]([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000013487415 561715148 /nfs/dbraw/zinc/71/51/48/561715148.db2.gz IMMRQJKFAMQIFK-OAQYLSRUSA-N 1 2 504.471 5.756 1 0 KKAFLO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)C1CCC(c3ccc(NC(=[NH2+])c4cccs4)cc3)CC1)O2 ZINC000013531467 561717611 /nfs/dbraw/zinc/71/76/11/561717611.db2.gz FALMIVYOZSZXLI-SGSZRKLKSA-N 1 2 516.707 7.443 1 0 KKAFLO O=C(C[NH+]1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O ZINC000013612743 561721962 /nfs/dbraw/zinc/72/19/62/561721962.db2.gz ANCUXNHVYZRKHM-UHFFFAOYSA-N 1 2 501.970 5.111 1 0 KKAFLO CSc1cc(C)[nH+]c(C)c1NC(=O)N(Cc1ccc(Oc2ccc(F)cc2)cc1)C1CCCCCC1 ZINC000013781735 561729480 /nfs/dbraw/zinc/72/94/80/561729480.db2.gz JDOAWEPQZNHSMC-UHFFFAOYSA-N 1 2 507.675 8.109 1 0 KKAFLO COc1cc2c(cc1OC[C@@H](O)C[NH+]1CCOCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000014175361 561737340 /nfs/dbraw/zinc/73/73/40/561737340.db2.gz ZQFOUXRMQZZLKL-SANMLTNESA-N 1 2 557.691 6.149 1 0 KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000014234298 561738207 /nfs/dbraw/zinc/73/82/07/561738207.db2.gz CNHCDGVYZXTPAZ-JQODTUQTSA-N 1 2 638.853 5.240 1 0 KKAFLO COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)[nH+]c4ccccc43)cc1)cn2C(=O)N1CCCC1 ZINC000013776698 561728640 /nfs/dbraw/zinc/72/86/40/561728640.db2.gz HWHDWKHODJSTCQ-UHFFFAOYSA-N 1 2 520.589 5.429 1 0 KKAFLO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4Cn4cc[nH+]c4)cc3F)cc12 ZINC000014951201 561746021 /nfs/dbraw/zinc/74/60/21/561746021.db2.gz ABNRVSUBULFNSQ-UHFFFAOYSA-N 1 2 561.499 5.918 1 0 KKAFLO Fc1ccc2nc(C3CC[NH+](Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1 ZINC000014957996 561748147 /nfs/dbraw/zinc/74/81/47/561748147.db2.gz PLIPTRZNWFRKNU-UHFFFAOYSA-N 1 2 530.611 5.991 1 0 KKAFLO C[NH+](C)[C@@H](COC(C)(C)C)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017306995 561754568 /nfs/dbraw/zinc/75/45/68/561754568.db2.gz XDLHLYACXBLRKL-UIOOFZCWSA-N 1 2 615.816 5.712 3 0 KKAFLO CC(C)(C)C(=O)O[C@@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257020 561761351 /nfs/dbraw/zinc/76/13/51/561761351.db2.gz YBEIFGQJPMCNPV-XMMPIXPASA-N 1 2 580.705 5.088 1 0 KKAFLO Cc1[nH+]c[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1CCc1ccccc1 ZINC000025982346 561763945 /nfs/dbraw/zinc/76/39/45/561763945.db2.gz OOQMUYRDXKMWLS-RUZDIDTESA-N 1 2 504.631 5.070 1 0 KKAFLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270024 561777036 /nfs/dbraw/zinc/77/70/36/561777036.db2.gz MSXWYJRSWIKQOX-PDHQKIGBSA-N 1 2 676.924 5.102 1 0 KKAFLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270024 561777039 /nfs/dbraw/zinc/77/70/39/561777039.db2.gz MSXWYJRSWIKQOX-PDHQKIGBSA-N 1 2 676.924 5.102 1 0 KKAFLO CCCCc1[nH+]c2ccccc2n1CCc1cc(I)c(O)c(I)c1 ZINC000026278875 561778769 /nfs/dbraw/zinc/77/87/69/561778769.db2.gz VDPXXLREHAEINT-UHFFFAOYSA-N 1 2 546.190 5.536 1 0 KKAFLO CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1[nH]c(C(C)C)c[nH+]1)C(C)C ZINC000026484228 561792264 /nfs/dbraw/zinc/79/22/64/561792264.db2.gz QGRGDPUQQAHWKX-JMZGFNRRSA-N 1 2 548.728 5.109 1 0 KKAFLO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000026571621 561798180 /nfs/dbraw/zinc/79/81/80/561798180.db2.gz FLCHWTIQFVHCMK-FIRIVFDPSA-N 1 2 582.745 6.970 1 0 KKAFLO Cn1cc(Cc2cn(CC(=O)N(CCC[NH+](C)C)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026575946 561799677 /nfs/dbraw/zinc/79/96/77/561799677.db2.gz RPMBWDUTWZVOBC-UHFFFAOYSA-N 1 2 673.258 6.300 1 0 KKAFLO CCCCc1[nH+]cc2n1[C@H](c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)CC[C@@H]2N1C(=O)CCC1=O ZINC000026577065 561800925 /nfs/dbraw/zinc/80/09/25/561800925.db2.gz PBOOLGIAJKFQQW-YATWDLPUSA-N 1 2 737.908 8.960 1 0 KKAFLO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000026580315 561805791 /nfs/dbraw/zinc/80/57/91/561805791.db2.gz SUMKUTBDVXRKCI-OAQYLSRUSA-N 1 2 613.654 5.670 1 0 KKAFLO COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2CSCC[N@@H+]2Cc2ccccc21 ZINC000026662673 561810588 /nfs/dbraw/zinc/81/05/88/561810588.db2.gz YNAZXHOLEXQCOW-AREMUKBSSA-N 1 2 549.696 6.192 1 0 KKAFLO COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2CSCC[N@H+]2Cc2ccccc21 ZINC000026662673 561810591 /nfs/dbraw/zinc/81/05/91/561810591.db2.gz YNAZXHOLEXQCOW-AREMUKBSSA-N 1 2 549.696 6.192 1 0 KKAFLO Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)C[C@@H]1CSCC[N@H+]1C2 ZINC000026663032 561810647 /nfs/dbraw/zinc/81/06/47/561810647.db2.gz LSADLCFIPFOYOF-MUUNZHRXSA-N 1 2 533.697 6.492 1 0 KKAFLO Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)C[C@@H]1CSCC[N@@H+]1C2 ZINC000026663032 561810648 /nfs/dbraw/zinc/81/06/48/561810648.db2.gz LSADLCFIPFOYOF-MUUNZHRXSA-N 1 2 533.697 6.492 1 0 KKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674600 561813557 /nfs/dbraw/zinc/81/35/57/561813557.db2.gz XIFNDLZEADZPOZ-FGZHOGPDSA-N 1 2 533.713 6.691 1 0 KKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674600 561813559 /nfs/dbraw/zinc/81/35/59/561813559.db2.gz XIFNDLZEADZPOZ-FGZHOGPDSA-N 1 2 533.713 6.691 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@@H](c2ccccc2Cl)C1C(=O)OCc1ccccc1 ZINC000026839463 561825268 /nfs/dbraw/zinc/82/52/68/561825268.db2.gz AEBKEJCCPUJAQJ-QKXWFQKGSA-N 1 2 619.121 7.901 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026971456 561830464 /nfs/dbraw/zinc/83/04/64/561830464.db2.gz IKTCQXBLEMUSIF-HYBUGGRVSA-N 1 2 545.558 5.408 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026971456 561830465 /nfs/dbraw/zinc/83/04/65/561830465.db2.gz IKTCQXBLEMUSIF-HYBUGGRVSA-N 1 2 545.558 5.408 1 0 KKAFLO C[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026976370 561830923 /nfs/dbraw/zinc/83/09/23/561830923.db2.gz KLNREZJWLLCYLH-ZADIWHOSSA-N 1 2 659.787 5.775 1 0 KKAFLO C[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026976370 561830925 /nfs/dbraw/zinc/83/09/25/561830925.db2.gz KLNREZJWLLCYLH-ZADIWHOSSA-N 1 2 659.787 5.775 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000026992798 561832771 /nfs/dbraw/zinc/83/27/71/561832771.db2.gz BNBSDZRWCCHBOZ-CBHGIOBQSA-N 1 2 661.844 5.122 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000026992798 561832774 /nfs/dbraw/zinc/83/27/74/561832774.db2.gz BNBSDZRWCCHBOZ-CBHGIOBQSA-N 1 2 661.844 5.122 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027327620 561854029 /nfs/dbraw/zinc/85/40/29/561854029.db2.gz NOASMCANAQBJTR-UHFFFAOYSA-N 1 2 538.659 6.746 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518093 561861853 /nfs/dbraw/zinc/86/18/53/561861853.db2.gz DSHYGKAKVRNSRB-AHWVRZQESA-N 1 2 576.694 5.344 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518093 561861854 /nfs/dbraw/zinc/86/18/54/561861854.db2.gz DSHYGKAKVRNSRB-AHWVRZQESA-N 1 2 576.694 5.344 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2Cl)cc1-c1ccccc1 ZINC000027518359 561862191 /nfs/dbraw/zinc/86/21/91/561862191.db2.gz VXCDYZVCGQAARZ-NDEPHWFRSA-N 1 2 563.123 5.888 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000027557378 561869884 /nfs/dbraw/zinc/86/98/84/561869884.db2.gz UPWGQPKTTPFZIG-MHZLTWQESA-N 1 2 662.717 5.201 1 0 KKAFLO COc1c(I)cc(C[C@@H]2[NH2+]CCc3c(Br)c(O)c(Br)cc32)cc1I ZINC000027657067 561877922 /nfs/dbraw/zinc/87/79/22/561877922.db2.gz DUQWKKUGMYFWOL-AWEZNQCLSA-N 1 2 678.928 5.565 1 0 KKAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)CC3)ccc2s1 ZINC000027635732 561874418 /nfs/dbraw/zinc/87/44/18/561874418.db2.gz KVMBIACTNDOBRU-HSZRJFAPSA-N 1 2 567.111 5.046 1 0 KKAFLO C[C@@H](Nc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1)c1ccccc1 ZINC000027865357 561887725 /nfs/dbraw/zinc/88/77/25/561887725.db2.gz DTSRVIPSGXHWMM-WZONZLPQSA-N 1 2 527.518 6.466 1 0 KKAFLO O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3c[nH+]cn3Cc3ccccc3)cn1)C2 ZINC000028103894 561902035 /nfs/dbraw/zinc/90/20/35/561902035.db2.gz YFJZTISMEVURGQ-MGBGTMOVSA-N 1 2 537.623 5.879 1 0 KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028257314 561911618 /nfs/dbraw/zinc/91/16/18/561911618.db2.gz SHGYNXXABXGXNI-SLJGUOPMSA-N 1 2 703.928 6.289 1 0 investigational KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028257314 561911620 /nfs/dbraw/zinc/91/16/20/561911620.db2.gz SHGYNXXABXGXNI-SLJGUOPMSA-N 1 2 703.928 6.289 1 0 investigational KKAFLO CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)ccc(O)c4Cl)c(=O)n(C)c3n2)cc1 ZINC000028332696 561912931 /nfs/dbraw/zinc/91/29/31/561912931.db2.gz ABXPYYQYRWGUER-UHFFFAOYSA-N 1 2 528.440 5.472 1 0 KKAFLO CC(C)Oc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c21 ZINC000028459510 561924841 /nfs/dbraw/zinc/92/48/41/561924841.db2.gz GSSWFUNMAVJYOH-JPYJTQIMSA-N 1 2 513.685 5.072 1 0 KKAFLO CC[NH+](CC)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N[C@H](C)CCc3ccccc3)c2F)c(C(=O)[O-])c1 ZINC000028525371 561931250 /nfs/dbraw/zinc/93/12/50/561931250.db2.gz USEPDDWZBZHNPR-HXUWFJFHSA-N 1 2 603.670 7.206 1 0 KKAFLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC2=NO[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570633 561938984 /nfs/dbraw/zinc/93/89/84/561938984.db2.gz JCNGFFPINBNJRH-CLJLJLNGSA-N 1 2 637.625 5.052 1 0 KKAFLO Cc1cc(Nc2ncnc3cnc(NCC[NH+]4CCOCC4)cc32)ccc1Oc1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000028706419 561949752 /nfs/dbraw/zinc/94/97/52/561949752.db2.gz HQCWJTWXBIUKSY-UHFFFAOYSA-N 1 2 569.710 5.389 1 0 KKAFLO Fc1ccc(C(OCCN2C[C@H]3C[C@@H](C2)[N@H+]3C/C=C/c2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000028713799 561954167 /nfs/dbraw/zinc/95/41/67/561954167.db2.gz XEDMXCZQRHSJSF-MHGGUPSASA-N 1 2 510.628 6.696 1 0 KKAFLO Fc1ccc(C(OCCN2C[C@H]3C[C@@H](C2)[N@@H+]3C/C=C/c2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000028713799 561954168 /nfs/dbraw/zinc/95/41/68/561954168.db2.gz XEDMXCZQRHSJSF-MHGGUPSASA-N 1 2 510.628 6.696 1 0 KKAFLO CCCCOP(=O)(CCCCC1(C(=O)NCC[NH+]2CCOCC2)c2ccccc2-c2ccccc21)OCCCC ZINC000028764984 561959357 /nfs/dbraw/zinc/95/93/57/561959357.db2.gz YTYFLZZSJZICPU-UHFFFAOYSA-N 1 2 570.711 6.398 1 0 KKAFLO Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2cccc3c2n1[C@@H](C[NH+]1CCOCC1)CO3 ZINC000028765080 561959408 /nfs/dbraw/zinc/95/94/08/561959408.db2.gz UAXKWURORIRMBX-SFHVURJKSA-N 1 2 505.412 5.362 1 0 KKAFLO COc1ccc(C2(O)CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028767558 561959940 /nfs/dbraw/zinc/95/99/40/561959940.db2.gz TVETZAUSJOXPCP-UHFFFAOYSA-N 1 2 521.539 6.130 1 0 KKAFLO O=C(c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000028769687 561960851 /nfs/dbraw/zinc/96/08/51/561960851.db2.gz VLNZHMSMASUUKG-UHFFFAOYSA-N 1 2 507.943 7.580 1 0 KKAFLO c1ccc(C(CCCN2CC[NH+](CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816215 561964034 /nfs/dbraw/zinc/96/40/34/561964034.db2.gz LCOHBFLNTLGXJE-OCQXTOTRSA-N 1 2 652.879 9.213 1 0 KKAFLO COc1ccc(CNC(=O)c2ccc([C@@H]3c4[nH]c[nH+]c4CCN3Cc3cccc(Cl)c3Cl)cc2)cc1 ZINC000028820382 561966014 /nfs/dbraw/zinc/96/60/14/561966014.db2.gz XWZLOENAKILRNI-HHHXNRCGSA-N 1 2 521.448 5.803 1 0 KKAFLO CCC(=C(c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000028821487 561966457 /nfs/dbraw/zinc/96/64/57/561966457.db2.gz SUUSHNJKHBMTFM-UHFFFAOYSA-N 1 2 542.720 5.478 1 0 KKAFLO O=C(NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F ZINC000028822132 561966544 /nfs/dbraw/zinc/96/65/44/561966544.db2.gz SOCODJVQCMYULP-UHFFFAOYSA-N 1 2 594.884 6.108 1 0 KKAFLO CCNc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)nc[nH+]1 ZINC000028952845 561982201 /nfs/dbraw/zinc/98/22/01/561982201.db2.gz BRMZWRZGFPCVLB-UHFFFAOYSA-N 1 2 502.497 6.186 1 0 KKAFLO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H]([NH2+]Cc2ccccc2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973202 561986225 /nfs/dbraw/zinc/98/62/25/561986225.db2.gz AHXIDNQATNXBMX-UUWRZZSWSA-N 1 2 557.698 6.489 1 0 KKAFLO Nc1ccccc1NC(=O)c1cc2ccc([C@H]([NH2+]Cc3cccnc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976351 561986866 /nfs/dbraw/zinc/98/68/66/561986866.db2.gz OGQTXRUVOBITHX-NDEPHWFRSA-N 1 2 521.646 5.278 1 0 KKAFLO CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C ZINC000029345712 562016229 /nfs/dbraw/zinc/01/62/29/562016229.db2.gz KHWUUKOCPOUZAU-QNRWOPMTSA-N 1 2 621.823 5.054 1 0 KKAFLO CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C ZINC000029345712 562016230 /nfs/dbraw/zinc/01/62/30/562016230.db2.gz KHWUUKOCPOUZAU-QNRWOPMTSA-N 1 2 621.823 5.054 1 0 KKAFLO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3ccc(Cl)cc3Cl)CC2)c2ccccc21 ZINC000029490028 562029201 /nfs/dbraw/zinc/02/92/01/562029201.db2.gz MYRGTFCDJGLONZ-MHZLTWQESA-N 1 2 602.584 5.008 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)c2cc1OC ZINC000033969099 562037856 /nfs/dbraw/zinc/03/78/56/562037856.db2.gz DUTNABYDBFVZOA-UHFFFAOYSA-N 1 2 516.504 5.827 1 0 in-vitro KKAFLO Cc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12 ZINC000034001813 562037994 /nfs/dbraw/zinc/03/79/94/562037994.db2.gz DVBKZPSCTGHZHB-UHFFFAOYSA-N 1 2 508.666 6.984 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccc(F)cc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000036160574 562048561 /nfs/dbraw/zinc/04/85/61/562048561.db2.gz YHJMQEBMDVYYBG-BZKUTMRRSA-N 1 2 644.832 7.209 1 0 KKAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000036330427 562055777 /nfs/dbraw/zinc/05/57/77/562055777.db2.gz PPUPMAFZXZRFPN-XIFFEERXSA-N 1 2 530.628 6.599 1 0 KKAFLO CCC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331640 562056799 /nfs/dbraw/zinc/05/67/99/562056799.db2.gz XVKFSUSKDHLMBF-UHFFFAOYSA-N 1 2 627.757 7.876 1 0 KKAFLO CCC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331640 562056801 /nfs/dbraw/zinc/05/68/01/562056801.db2.gz XVKFSUSKDHLMBF-UHFFFAOYSA-N 1 2 627.757 7.876 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)C2CC2)c1 ZINC000036338828 562057371 /nfs/dbraw/zinc/05/73/71/562057371.db2.gz SFCSGFUQASTWES-UHFFFAOYSA-N 1 2 552.748 5.962 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)C2CC2)c1 ZINC000036338828 562057373 /nfs/dbraw/zinc/05/73/73/562057373.db2.gz SFCSGFUQASTWES-UHFFFAOYSA-N 1 2 552.748 5.962 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)C2CC2)c1 ZINC000036338828 562057374 /nfs/dbraw/zinc/05/73/74/562057374.db2.gz SFCSGFUQASTWES-UHFFFAOYSA-N 1 2 552.748 5.962 1 0 KKAFLO CN(CC(=O)N(C)[C@@H](C[NH+]1CCOCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000040379166 562073311 /nfs/dbraw/zinc/07/33/11/562073311.db2.gz ALINQGUROWXGAJ-MHZLTWQESA-N 1 2 512.481 5.629 1 0 KKAFLO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000040420985 562075749 /nfs/dbraw/zinc/07/57/49/562075749.db2.gz DRXAZGSQFACNDY-UHFFFAOYSA-N 1 2 531.056 5.557 1 0 KKAFLO COc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c[nH+]4)CC3)nc2-c2ccc(C)cc2)c1 ZINC000040918149 562084239 /nfs/dbraw/zinc/08/42/39/562084239.db2.gz CCFUQIBZCDKHQD-UHFFFAOYSA-N 1 2 503.606 5.367 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(/C=C/n4cnc5cncnc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000043078716 562645801 /nfs/dbraw/zinc/64/58/01/562645801.db2.gz LNPOXTZTOXVGTM-AATRIKPKSA-N 1 2 503.488 5.528 1 0 KKAFLO CC[C@H](Nc1cc(NC2CCCCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043122562 562646230 /nfs/dbraw/zinc/64/62/30/562646230.db2.gz SNIWCKNLSLJDJE-UIOOFZCWSA-N 1 2 541.965 8.244 1 0 KKAFLO CC[C@H](Nc1cc(NC2CCCCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043122562 562646231 /nfs/dbraw/zinc/64/62/31/562646231.db2.gz SNIWCKNLSLJDJE-UIOOFZCWSA-N 1 2 541.965 8.244 1 0 KKAFLO CCNc1cccnc1N1CC[NH+](CC(=O)[C@H]2[C@H](C)C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000043641047 562650470 /nfs/dbraw/zinc/65/04/70/562650470.db2.gz ZJOVANLWKDPSMI-YYUYOLNOSA-N 1 2 528.741 5.295 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C[NH2+][C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000044018425 562651535 /nfs/dbraw/zinc/65/15/35/562651535.db2.gz AGHMAPQYNYKURG-VMPREFPWSA-N 1 2 641.806 5.800 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044052910 562651892 /nfs/dbraw/zinc/65/18/92/562651892.db2.gz VCGJYQLITQXOFG-ZQWAWDFXSA-N 1 2 626.842 7.070 1 0 KKAFLO O=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)N1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000044305157 562653351 /nfs/dbraw/zinc/65/33/51/562653351.db2.gz FOKBLZLTYMKGGH-UHFFFAOYSA-N 1 2 610.187 5.591 1 0 KKAFLO O=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)N1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000044305157 562653352 /nfs/dbraw/zinc/65/33/52/562653352.db2.gz FOKBLZLTYMKGGH-UHFFFAOYSA-N 1 2 610.187 5.591 1 0 KKAFLO COc1c(NC(N)=O)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12 ZINC000044352471 562655152 /nfs/dbraw/zinc/65/51/52/562655152.db2.gz HBXGKLUVQXEQQH-UHFFFAOYSA-N 1 2 582.705 6.175 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000044406603 562656901 /nfs/dbraw/zinc/65/69/01/562656901.db2.gz YXIJYAQZAHKAPZ-MHZLTWQESA-N 1 2 535.635 5.334 1 0 KKAFLO Brc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2n2cc[nH+]c2)cc1 ZINC000044406607 562656931 /nfs/dbraw/zinc/65/69/31/562656931.db2.gz TXQCXYFGISOHQR-RPWUZVMVSA-N 1 2 522.244 6.615 1 0 KKAFLO Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N)[nH+]4)c4ccccc43)c(Cl)c2)n1 ZINC000044418693 562657357 /nfs/dbraw/zinc/65/73/57/562657357.db2.gz HLUSMHIRGMOTIA-KQWNVCNZSA-N 1 2 563.008 5.197 1 0 KKAFLO CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1F)CC[N@H+](C)CC2 ZINC000045189335 562658407 /nfs/dbraw/zinc/65/84/07/562658407.db2.gz VLADTGIAPXLRHM-UHFFFAOYSA-N 1 2 503.039 5.765 1 0 KKAFLO CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1F)CC[N@@H+](C)CC2 ZINC000045189335 562658408 /nfs/dbraw/zinc/65/84/08/562658408.db2.gz VLADTGIAPXLRHM-UHFFFAOYSA-N 1 2 503.039 5.765 1 0 KKAFLO COc1cc2c(cc1S(=O)(=O)c1ccc(NC(=O)c3cc4ccccc4s3)cc1)CC[N@H+](C)CC2 ZINC000045190093 562658480 /nfs/dbraw/zinc/65/84/80/562658480.db2.gz BMPJDZMDUCRREB-UHFFFAOYSA-N 1 2 506.649 5.025 1 0 KKAFLO COc1cc2c(cc1S(=O)(=O)c1ccc(NC(=O)c3cc4ccccc4s3)cc1)CC[N@@H+](C)CC2 ZINC000045190093 562658481 /nfs/dbraw/zinc/65/84/81/562658481.db2.gz BMPJDZMDUCRREB-UHFFFAOYSA-N 1 2 506.649 5.025 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5ccccn5)C4=O)cc3F)c2cc1OC ZINC000045287449 562660239 /nfs/dbraw/zinc/66/02/39/562660239.db2.gz WMZKQQBAYCRMRE-UHFFFAOYSA-N 1 2 503.490 5.053 1 0 KKAFLO COc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045337896 562661454 /nfs/dbraw/zinc/66/14/54/562661454.db2.gz SSULWRYWQAAWNT-SLGOVJDISA-N 1 2 534.100 5.315 1 0 KKAFLO CC(C)(CC(=O)NC1CCCCC1)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338093 562661490 /nfs/dbraw/zinc/66/14/90/562661490.db2.gz NDVMMLBGSCTHNJ-LJAQVGFWSA-N 1 2 510.122 5.829 1 0 KKAFLO Clc1ccc2cc(NCCCCNc3nc(N4CCCCC4)nc(NC4CCCCC4)[nH+]3)cnc2c1 ZINC000045354547 562661860 /nfs/dbraw/zinc/66/18/60/562661860.db2.gz FWQCPSGJMXPDGK-UHFFFAOYSA-N 1 2 509.102 6.112 1 0 KKAFLO Clc1ccc2cc(NCCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)[nH+]3)cnc2c1 ZINC000045354547 562661861 /nfs/dbraw/zinc/66/18/61/562661861.db2.gz FWQCPSGJMXPDGK-UHFFFAOYSA-N 1 2 509.102 6.112 1 0 KKAFLO Clc1ccc2cc(NCCCCNc3nc(NC4CCCCC4)[nH+]c(N4CCCCC4)n3)cnc2c1 ZINC000045354547 562661862 /nfs/dbraw/zinc/66/18/62/562661862.db2.gz FWQCPSGJMXPDGK-UHFFFAOYSA-N 1 2 509.102 6.112 1 0 KKAFLO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000045366087 562662070 /nfs/dbraw/zinc/66/20/70/562662070.db2.gz JDFLEUYRGZPZQD-YTTGMZPUSA-N 1 2 528.618 7.161 1 0 KKAFLO Cc1ccc(CNC(=O)CC(C)(C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045388424 562662485 /nfs/dbraw/zinc/66/24/85/562662485.db2.gz BVRIVEXUJSALFS-WJOKGBTCSA-N 1 2 532.128 6.005 1 0 KKAFLO COc1ccc(-c2nc3ncc(Br)c(N4CC[NH+](Cc5ccc(Cl)cc5)CC4)c3[nH]2)cc1 ZINC000049046726 562663730 /nfs/dbraw/zinc/66/37/30/562663730.db2.gz HVZNKPWGHREOMW-UHFFFAOYSA-N 1 2 512.839 5.372 1 0 KKAFLO CCn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049072871 562664274 /nfs/dbraw/zinc/66/42/74/562664274.db2.gz YLGPNUOSRABSDL-NDEPHWFRSA-N 1 2 504.417 6.013 1 0 KKAFLO CCn1c[nH+]cc1[C@](OC)(c1ccc(C(C)C)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049112844 562664587 /nfs/dbraw/zinc/66/45/87/562664587.db2.gz APDKNPUEIGDZHT-YTTGMZPUSA-N 1 2 526.080 7.137 1 0 KKAFLO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)cc4)s3)nc2c1 ZINC000049625935 562666916 /nfs/dbraw/zinc/66/69/16/562666916.db2.gz BJHDKGYTSWIUQJ-UHFFFAOYSA-N 1 2 530.579 6.848 1 0 KKAFLO FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)cc4)s3)[nH]c2c1 ZINC000049625935 562666917 /nfs/dbraw/zinc/66/69/17/562666917.db2.gz BJHDKGYTSWIUQJ-UHFFFAOYSA-N 1 2 530.579 6.848 1 0 KKAFLO C[C@@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(=O)(=O)c1ccccc1 ZINC000049694726 562669720 /nfs/dbraw/zinc/66/97/20/562669720.db2.gz BTZSHTKXTWWUKJ-WBBHLRKXSA-N 1 2 632.750 5.376 1 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3ccc(-n4ccc5c4ncnc5NC(=O)c4ccccc4)cc3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000049695391 562670497 /nfs/dbraw/zinc/67/04/97/562670497.db2.gz OKGAGRBICNLPQC-UHFFFAOYSA-N 1 2 581.558 6.438 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(Nc5ccccc5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049695488 562670641 /nfs/dbraw/zinc/67/06/41/562670641.db2.gz WEEMSRUOVNMUPV-UHFFFAOYSA-N 1 2 585.620 6.586 1 0 KKAFLO O=C(NCCc1ccccc1)c1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049708599 562671002 /nfs/dbraw/zinc/67/10/02/562671002.db2.gz RGIULWBHYMMYLJ-UHFFFAOYSA-N 1 2 552.550 5.148 1 0 KKAFLO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cccc(OCC[NH+]5CCOCC5)c34)cc2)no1 ZINC000049708797 562671066 /nfs/dbraw/zinc/67/10/66/562671066.db2.gz YMPLGYCVVGOFAQ-UHFFFAOYSA-N 1 2 560.680 5.857 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccc(Cl)cc3)[C@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049708778 562671089 /nfs/dbraw/zinc/67/10/89/562671089.db2.gz CJSUZJKOGMJPLX-RAWKRMDASA-N 1 2 537.103 7.700 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccc(Cl)cc3)[C@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049708778 562671090 /nfs/dbraw/zinc/67/10/90/562671090.db2.gz CJSUZJKOGMJPLX-RAWKRMDASA-N 1 2 537.103 7.700 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3cnc4ccccc4c3)cc2)CC1 ZINC000049723015 562672795 /nfs/dbraw/zinc/67/27/95/562672795.db2.gz SWBHGWRSYWUKET-UHFFFAOYSA-N 1 2 542.481 6.011 1 0 KKAFLO COc1cc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000049746349 562674384 /nfs/dbraw/zinc/67/43/84/562674384.db2.gz RFHHKLHLLXMGOX-UMSFTDKQSA-N 1 2 550.699 6.168 1 0 KKAFLO Cc1cc2[nH+]c(N3CCC(Cc4ccccc4)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049755996 562674769 /nfs/dbraw/zinc/67/47/69/562674769.db2.gz QGLWZSDWMHONEN-UHFFFAOYSA-N 1 2 565.802 8.296 1 0 KKAFLO CC1CCN(C(=O)Nc2ccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)c(C(=O)c3ccccc3)c2)CC1 ZINC000049757452 562676032 /nfs/dbraw/zinc/67/60/32/562676032.db2.gz GNNGNCHIXHINKM-SSEXGKCCSA-N 1 2 553.707 5.109 1 0 KKAFLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(NC(=O)c3cccc4ccccc43)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049762397 562676524 /nfs/dbraw/zinc/67/65/24/562676524.db2.gz ZBDTYDOIKGTAFL-UMSFTDKQSA-N 1 2 582.704 6.250 1 0 KKAFLO COc1cccc(C(=O)N(Cc2cccc(Cl)c2)C2CCC(CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)CC2)c1 ZINC000049776247 562679276 /nfs/dbraw/zinc/67/92/76/562679276.db2.gz HIIPPTHLNPXHOY-UHFFFAOYSA-N 1 2 711.303 8.000 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2-c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[nH+]1 ZINC000049777176 562679757 /nfs/dbraw/zinc/67/97/57/562679757.db2.gz NIKUHRUBZNLGBP-AWEZNQCLSA-N 1 2 531.926 5.438 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049778282 562681121 /nfs/dbraw/zinc/68/11/21/562681121.db2.gz HOJJPFAVIQOXGJ-OFSOJUDTSA-N 1 2 722.541 8.047 1 0 KKAFLO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](Cc3cccc4c3OC(F)(F)O4)CC2)c2ccccc21)c1ccccc1Cl ZINC000049778330 562681175 /nfs/dbraw/zinc/68/11/75/562681175.db2.gz MCISFZLVURUIGO-UHFFFAOYSA-N 1 2 636.486 7.008 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(C(F)(F)F)c1)cc(=O)n2C ZINC000049784845 562683789 /nfs/dbraw/zinc/68/37/89/562683789.db2.gz JDSSTWGXBBEJLG-NDEPHWFRSA-N 1 2 537.969 6.550 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1C(F)(F)F)cc(=O)n2C ZINC000049802241 562685599 /nfs/dbraw/zinc/68/55/99/562685599.db2.gz FOENVKPTEKITTF-NDEPHWFRSA-N 1 2 537.969 6.550 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(F)ccc(F)c4F)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049853690 562689056 /nfs/dbraw/zinc/68/90/56/562689056.db2.gz IDXLHUPKARTEIR-KPURRNSFSA-N 1 2 674.547 6.406 1 0 KKAFLO CCCC=Cc1ccccc1C=CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)[O-])Cc1ccc(O)cc1 ZINC000049863835 562689325 /nfs/dbraw/zinc/68/93/25/562689325.db2.gz KZEVLOIRBPOAGQ-UAFZSCROSA-N 1 2 663.819 5.025 1 0 KKAFLO CCC/C=C\c1ccccc1C=CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)[O-])Cc1ccc(O)cc1 ZINC000049863835 562689326 /nfs/dbraw/zinc/68/93/26/562689326.db2.gz KZEVLOIRBPOAGQ-UAFZSCROSA-N 1 2 663.819 5.025 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4cccc(Cl)c4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049889557 562692203 /nfs/dbraw/zinc/69/22/03/562692203.db2.gz OFJBQMHKYNWMTQ-WXGMZPBLSA-N 1 2 653.050 7.196 1 0 KKAFLO COc1cc(Cn2c[nH+]cc2CCN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000052957133 562695987 /nfs/dbraw/zinc/69/59/87/562695987.db2.gz CPUPJBLXXHGNPV-UHFFFAOYSA-N 1 2 569.027 6.171 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000053132358 562696305 /nfs/dbraw/zinc/69/63/05/562696305.db2.gz BCCRJSQTEBENFE-XMMPIXPASA-N 1 2 593.042 5.875 1 0 KKAFLO COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@@H]3[NH2+][C@@H](Cc4ccccc43)C(=O)N1[C@H]2COC(=O)c1cccc2ccccc21 ZINC000058582633 562700007 /nfs/dbraw/zinc/70/00/07/562700007.db2.gz GTWCPZJMZZQVDE-VNDOHOEKSA-N 1 2 578.665 5.095 1 0 KKAFLO O=C1N(c2ccc(F)c(Cl)c2)[C@H](c2ccccn2)C12CCN(c1[nH]c3cc(Cl)c(F)cc3[nH+]1)CC2 ZINC000058602663 562700866 /nfs/dbraw/zinc/70/08/66/562700866.db2.gz XVBZNKYJEANPDR-JOCHJYFZSA-N 1 2 514.363 5.918 1 0 KKAFLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000058655680 562701382 /nfs/dbraw/zinc/70/13/82/562701382.db2.gz CJPLMXOWZZCYHJ-QHCPKHFHSA-N 1 2 504.377 6.078 1 0 in-vitro KKAFLO CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=[NH+]c1cc(OC)c(OC)c(OC)c1)C1C(=O)OC(C)(C)OC1=O ZINC000059033401 562701673 /nfs/dbraw/zinc/70/16/73/562701673.db2.gz KFLZSAWEIXFKEF-QFIPXVFZSA-N 1 2 596.765 6.941 1 0 KKAFLO COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)cc(C)c5o4)c(F)c3)c3c2nc[nH+]c3N)CC1 ZINC000063540209 562704501 /nfs/dbraw/zinc/70/45/01/562704501.db2.gz DMSXWHFOVKIEKR-UHFFFAOYSA-N 1 2 566.037 6.208 1 0 KKAFLO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCCn2cc[nH+]c2)C(=O)N2CCc3c4ccc(-c5ccco5)cc4[nH]c3[C@]12C)C(C)C ZINC000066113542 562712191 /nfs/dbraw/zinc/71/21/91/562712191.db2.gz IFIUROUYXGHBCQ-ZDMRONSHSA-N 1 2 612.775 5.102 3 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000071280718 562716530 /nfs/dbraw/zinc/71/65/30/562716530.db2.gz OJERHTYXNSEIQQ-BETPUDKTSA-N 1 2 576.741 6.475 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000071280718 562716531 /nfs/dbraw/zinc/71/65/31/562716531.db2.gz OJERHTYXNSEIQQ-BETPUDKTSA-N 1 2 576.741 6.475 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000071294833 562717011 /nfs/dbraw/zinc/71/70/11/562717011.db2.gz YELXQLUATCAJLB-ZVBBVAIHSA-N 1 2 560.714 5.713 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000071294833 562717012 /nfs/dbraw/zinc/71/70/12/562717012.db2.gz YELXQLUATCAJLB-ZVBBVAIHSA-N 1 2 560.714 5.713 1 0 KKAFLO CCC[N@@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000071294856 562717040 /nfs/dbraw/zinc/71/70/40/562717040.db2.gz WPGJWLRFTVNJMY-PSXMRANNSA-N 1 2 530.712 8.246 1 0 KKAFLO CCC[N@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000071294856 562717041 /nfs/dbraw/zinc/71/70/41/562717041.db2.gz WPGJWLRFTVNJMY-PSXMRANNSA-N 1 2 530.712 8.246 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3cccc(Nc4nc(-c5cccnc5)cs4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000071296557 562717555 /nfs/dbraw/zinc/71/75/55/562717555.db2.gz SQUMGCBLKYHKTJ-UHFFFAOYSA-N 1 2 520.540 6.714 1 0 KKAFLO Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)[nH+]c3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn32)cc1 ZINC000071316771 562718015 /nfs/dbraw/zinc/71/80/15/562718015.db2.gz FANGMBNRHHUJFX-UHFFFAOYSA-N 1 2 595.407 8.051 1 0 KKAFLO Cc1ccc(-c2nnc(-c3ccc4[nH+]c(-c5c[nH]c6ccc(Br)cc65)c(Nc5ccc(F)cc5)n4c3)o2)cc1 ZINC000071329373 562718878 /nfs/dbraw/zinc/71/88/78/562718878.db2.gz PFRDCSXDCPGWDF-UHFFFAOYSA-N 1 2 579.433 8.153 1 0 KKAFLO Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000071329933 562719039 /nfs/dbraw/zinc/71/90/39/562719039.db2.gz UVAYJCNXALJIMC-UHFFFAOYSA-N 1 2 630.618 5.680 1 0 KKAFLO CCCNc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)cc(C)[nH+]1 ZINC000071330069 562719094 /nfs/dbraw/zinc/71/90/94/562719094.db2.gz KVYBERCRZGEUHM-UHFFFAOYSA-N 1 2 616.591 5.292 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(CC[C@@H](C[NH+]6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112410 562722093 /nfs/dbraw/zinc/72/20/93/562722093.db2.gz HKNNYRWOHFPOQA-XVDJRSNDSA-N 1 2 626.879 6.394 1 0 KKAFLO CN(c1nc(Nc2ccc(C(F)(F)F)cc2)c2c([nH+]1)CCN(c1ncccc1C(F)(F)F)CC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072115333 562722973 /nfs/dbraw/zinc/72/29/73/562722973.db2.gz UYKWYCSLAOFZHJ-JOCHJYFZSA-N 1 2 665.683 7.094 1 0 KKAFLO COc1cc2ncnc(N3CCC[C@H](c4ccccc4)C3)c2cc1OCCCc1[nH+]c2ccccc2n1C ZINC000072116266 562723071 /nfs/dbraw/zinc/72/30/71/562723071.db2.gz BKHNNIXZWBICGR-QHCPKHFHSA-N 1 2 507.638 5.921 1 0 KKAFLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC(=O)[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000072116543 562723146 /nfs/dbraw/zinc/72/31/46/562723146.db2.gz YFDUGDUXNFIIKK-QHCPKHFHSA-N 1 2 505.483 6.095 1 0 KKAFLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC(=O)[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000072116543 562723147 /nfs/dbraw/zinc/72/31/47/562723147.db2.gz YFDUGDUXNFIIKK-QHCPKHFHSA-N 1 2 505.483 6.095 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC1CCCCC1)OCCCC[C@@H](C)O2 ZINC000072120309 562723986 /nfs/dbraw/zinc/72/39/86/562723986.db2.gz WIHMVTBVTHNAAG-PWRUDQNKSA-N 1 2 662.894 5.400 3 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC1CCCCC1)OCCCC[C@@H](C)O2 ZINC000072120309 562723987 /nfs/dbraw/zinc/72/39/87/562723987.db2.gz WIHMVTBVTHNAAG-PWRUDQNKSA-N 1 2 662.894 5.400 3 0 KKAFLO O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCC[NH+]1CCOCC1 ZINC000072127672 562725784 /nfs/dbraw/zinc/72/57/84/562725784.db2.gz KGOYVAWWNZPSHA-DXBDNNBUSA-N 1 2 691.873 5.128 3 0 KKAFLO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000072132795 562726860 /nfs/dbraw/zinc/72/68/60/562726860.db2.gz DYZVWXUOWDGLAY-PLDZGXPLSA-N 1 2 646.789 8.728 1 0 KKAFLO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000072132795 562726861 /nfs/dbraw/zinc/72/68/61/562726861.db2.gz DYZVWXUOWDGLAY-PLDZGXPLSA-N 1 2 646.789 8.728 1 0 KKAFLO O=C1[C@@H](Cc2ccccc2)Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Br)cc1 ZINC000072136873 562728164 /nfs/dbraw/zinc/72/81/64/562728164.db2.gz SJVJGNJQMCDUGK-AREMUKBSSA-N 1 2 569.507 5.136 3 0 KKAFLO CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 ZINC000072181721 562732745 /nfs/dbraw/zinc/73/27/45/562732745.db2.gz ZKKDLCWGYBNIIU-WJOKGBTCSA-N 1 2 536.651 5.744 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073169753 562734875 /nfs/dbraw/zinc/73/48/75/562734875.db2.gz IOSKGFGRSUKMIG-HSZRJFAPSA-N 1 2 531.455 5.510 1 0 KKAFLO O=C(NCC[NH+]1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000073195606 562734942 /nfs/dbraw/zinc/73/49/42/562734942.db2.gz ANRVKRAATRXECV-UHFFFAOYSA-N 1 2 583.925 5.851 1 0 KKAFLO Nc1scc(C[NH+]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073222559 562736375 /nfs/dbraw/zinc/73/63/75/562736375.db2.gz KRHSLCQRUAKMQG-UHFFFAOYSA-N 1 2 514.400 6.209 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2nnc(Cc4ccc(F)cc4)o2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073223334 562736453 /nfs/dbraw/zinc/73/64/53/562736453.db2.gz MVVGGEIJCHNRCW-UHFFFAOYSA-N 1 2 613.562 5.879 1 0 KKAFLO CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082140018 562739290 /nfs/dbraw/zinc/73/92/90/562739290.db2.gz ZAHRFXJMKYNPOM-SSEXGKCCSA-N 1 2 639.580 5.357 1 0 KKAFLO CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082149500 562739708 /nfs/dbraw/zinc/73/97/08/562739708.db2.gz LOEFFGXUUMOLPT-SSEXGKCCSA-N 1 2 674.025 5.545 1 0 KKAFLO FC(F)(F)c1cccc([C@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)nc[nH+]3)C2)c1 ZINC000082151453 562739937 /nfs/dbraw/zinc/73/99/37/562739937.db2.gz ZRRDBJLAIRYZTN-SBUREZEXSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1cccc([C@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)[nH+]cn3)C2)c1 ZINC000082151453 562739938 /nfs/dbraw/zinc/73/99/38/562739938.db2.gz ZRRDBJLAIRYZTN-SBUREZEXSA-N 1 2 561.439 7.404 1 0 KKAFLO CCOc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@@H+]32)c1 ZINC000082157169 562740859 /nfs/dbraw/zinc/74/08/59/562740859.db2.gz LMZYSZYVTRLRLE-QDSKXPNFSA-N 1 2 510.478 7.296 1 0 KKAFLO CCOc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@H+]32)c1 ZINC000082157169 562740860 /nfs/dbraw/zinc/74/08/60/562740860.db2.gz LMZYSZYVTRLRLE-QDSKXPNFSA-N 1 2 510.478 7.296 1 0 KKAFLO O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000084403314 562742978 /nfs/dbraw/zinc/74/29/78/562742978.db2.gz HDNVEIAURQYZGK-UHFFFAOYSA-N 1 2 531.966 5.109 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1F ZINC000084596057 562743629 /nfs/dbraw/zinc/74/36/29/562743629.db2.gz PDRYICFJQPVDPW-UHFFFAOYSA-N 1 2 615.674 6.755 1 0 KKAFLO COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)oc2c1 ZINC000084617328 562744833 /nfs/dbraw/zinc/74/48/33/562744833.db2.gz ZUULLQGMZOHIHX-UHFFFAOYSA-N 1 2 606.163 7.550 1 0 KKAFLO COc1cc(=O)c2c(O)cc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)oc-2c1 ZINC000084617328 562744834 /nfs/dbraw/zinc/74/48/34/562744834.db2.gz ZUULLQGMZOHIHX-UHFFFAOYSA-N 1 2 606.163 7.550 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(Cl)c3)c2cc1OC ZINC000084652646 562746615 /nfs/dbraw/zinc/74/66/15/562746615.db2.gz UMWXVGCBUMYAFH-UHFFFAOYSA-N 1 2 544.995 5.748 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@H]4CCN(Cc5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654116 562747185 /nfs/dbraw/zinc/74/71/85/562747185.db2.gz FAFVLTUTYIQUIY-HXUWFJFHSA-N 1 2 515.541 5.171 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3cc(OC)ccc3OC)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084672474 562748790 /nfs/dbraw/zinc/74/87/90/562748790.db2.gz MJVJUEWZIWGYLO-UHFFFAOYSA-N 1 2 615.738 6.182 1 0 KKAFLO CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000084689252 562749300 /nfs/dbraw/zinc/74/93/00/562749300.db2.gz ZXJRIOIBPFUSJT-XZWHSSHBSA-N 1 2 638.802 5.018 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084709533 562750311 /nfs/dbraw/zinc/75/03/11/562750311.db2.gz PZTXQOOIYYVVEH-UHFFFAOYSA-N 1 2 541.659 6.123 1 0 KKAFLO CC(C)Cc1ccc([C@@H](C)c2[nH+]c3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713286 562750887 /nfs/dbraw/zinc/75/08/87/562750887.db2.gz UGASTDYELDRSCE-RUZDIDTESA-N 1 2 560.141 9.216 1 0 KKAFLO COc1ccc(-c2cc(NCc3c[nH+]cn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679167 562753352 /nfs/dbraw/zinc/75/33/52/562753352.db2.gz UKKYGOCNBQSDIE-UHFFFAOYSA-N 1 2 578.741 9.163 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000095544139 562757654 /nfs/dbraw/zinc/75/76/54/562757654.db2.gz YZFTVGIGQKRBNP-OFSOJUDTSA-N 1 2 756.093 8.413 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)[nH+]c(NCC3CCOCC3)n2)cc1 ZINC000095552099 562760574 /nfs/dbraw/zinc/76/05/74/562760574.db2.gz FGSTZZQAEPJJMJ-MUUNZHRXSA-N 1 2 662.886 5.346 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)nc(NCC3CCOCC3)[nH+]2)cc1 ZINC000095552099 562760575 /nfs/dbraw/zinc/76/05/75/562760575.db2.gz FGSTZZQAEPJJMJ-MUUNZHRXSA-N 1 2 662.886 5.346 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCC3CCOCC3)nc(NCc3csc(-c4ccccc4)n3)[nH+]2)cc1 ZINC000095552099 562760576 /nfs/dbraw/zinc/76/05/76/562760576.db2.gz FGSTZZQAEPJJMJ-MUUNZHRXSA-N 1 2 662.886 5.346 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)[nH+]c(N(C)CCC)n2)cc1 ZINC000095554972 562761435 /nfs/dbraw/zinc/76/14/35/562761435.db2.gz JRHIVNLGKRZILO-AREMUKBSSA-N 1 2 620.849 5.353 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(N(C)CCC)nc(NCc3csc(-c4ccccc4)n3)[nH+]2)cc1 ZINC000095554972 562761436 /nfs/dbraw/zinc/76/14/36/562761436.db2.gz JRHIVNLGKRZILO-AREMUKBSSA-N 1 2 620.849 5.353 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(Nc4ccccc4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095556986 562761956 /nfs/dbraw/zinc/76/19/56/562761956.db2.gz NYJPJUMJBCQVIN-GDLZYMKVSA-N 1 2 609.752 5.700 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095566927 562765381 /nfs/dbraw/zinc/76/53/81/562765381.db2.gz MYYMGOYXUZYBJC-NJQVLOCASA-N 1 2 662.809 5.166 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095566927 562765382 /nfs/dbraw/zinc/76/53/82/562765382.db2.gz MYYMGOYXUZYBJC-NJQVLOCASA-N 1 2 662.809 5.166 1 0 KKAFLO CCCCc1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095586698 562774016 /nfs/dbraw/zinc/77/40/16/562774016.db2.gz AXOCWLMNXWTXKF-UHFFFAOYSA-N 1 2 593.719 5.909 1 0 KKAFLO O=C(N[C@@H](C(=O)Nc1cc([C@@H](O)C[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095593400 562776231 /nfs/dbraw/zinc/77/62/31/562776231.db2.gz DZUXVCBPFLNAAX-OIDHKYIRSA-N 1 2 613.714 6.347 1 0 KKAFLO Cc1nccc2c3ccc(OC(C)C)cc3n(CCCCCCn3c4cc(OC(C)C)ccc4c4cc[nH+]c(C)c43)c21 ZINC000095596098 562776881 /nfs/dbraw/zinc/77/68/81/562776881.db2.gz JUDIQOBYRMCKQX-UHFFFAOYSA-N 1 2 562.758 9.144 1 0 KKAFLO CC(C)OC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC[NH+]2CCOCC2)c1 ZINC000095601207 562779500 /nfs/dbraw/zinc/77/95/00/562779500.db2.gz UYPNXWQCBZHNSO-UHFFFAOYSA-N 1 2 529.681 5.640 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095601995 562779824 /nfs/dbraw/zinc/77/98/24/562779824.db2.gz VIOGDUQZNOFWDO-JYWVQFHMSA-N 1 2 712.762 6.783 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095601995 562779825 /nfs/dbraw/zinc/77/98/25/562779825.db2.gz VIOGDUQZNOFWDO-JYWVQFHMSA-N 1 2 712.762 6.783 1 0 KKAFLO O=C(NCCO)C1=Cc2c(Nc3ccc(Oc4cccc5sccc54)c(Cl)c3)nc[nH+]c2NCC1 ZINC000095604501 562781058 /nfs/dbraw/zinc/78/10/58/562781058.db2.gz QHUDPFOODLMGQO-UHFFFAOYSA-N 1 2 508.003 5.188 1 0 in-vitro KKAFLO O=C(Nc1cccc(-c2nc3ccccc3s2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095605534 562781625 /nfs/dbraw/zinc/78/16/25/562781625.db2.gz OUYPKCMCAFZJAZ-UHFFFAOYSA-N 1 2 576.766 7.352 1 0 KKAFLO CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615498 562787317 /nfs/dbraw/zinc/78/73/17/562787317.db2.gz CUHGPASOBZRQFT-TUMTZTIRSA-N 1 2 562.723 5.056 1 0 KKAFLO CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615498 562787318 /nfs/dbraw/zinc/78/73/18/562787318.db2.gz CUHGPASOBZRQFT-TUMTZTIRSA-N 1 2 562.723 5.056 1 0 KKAFLO NC(=O)CCCC(=O)N1C[C@H]2CC(c3ccc(CCCOc4cc(Cl)ccc4Br)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000095615699 562787468 /nfs/dbraw/zinc/78/74/68/562787468.db2.gz PNFMKRFBBKGWQG-LHXZUMEBSA-N 1 2 768.580 6.941 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000095842791 562789422 /nfs/dbraw/zinc/78/94/22/562789422.db2.gz ZCFURLKVMXTVMO-UHFFFAOYSA-N 1 2 555.000 6.630 1 0 KKAFLO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)nc3)c3nccnc23)c1Cl ZINC000096173400 562791384 /nfs/dbraw/zinc/79/13/84/562791384.db2.gz ACPLMHRYFMEVPH-UHFFFAOYSA-N 1 2 554.434 5.100 1 0 KKAFLO COc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258266 562792868 /nfs/dbraw/zinc/79/28/68/562792868.db2.gz SNQLYBYKPJDMFL-UHFFFAOYSA-N 1 2 530.694 5.693 1 0 KKAFLO Cc1cccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)nc21 ZINC000096258269 562792882 /nfs/dbraw/zinc/79/28/82/562792882.db2.gz XUCCLIRSYCGFRB-UHFFFAOYSA-N 1 2 514.695 5.993 1 0 KKAFLO O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258265 562792898 /nfs/dbraw/zinc/79/28/98/562792898.db2.gz XAWRUXJWRYIPJC-UHFFFAOYSA-N 1 2 584.664 6.583 1 0 KKAFLO CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CC[NH+](CCNC(C)=O)CC1 ZINC000096270379 562793198 /nfs/dbraw/zinc/79/31/98/562793198.db2.gz WOJXNSCIVSUSTO-QPPIDDCLSA-N 1 2 692.732 7.456 1 0 KKAFLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096272163 562794000 /nfs/dbraw/zinc/79/40/00/562794000.db2.gz JUNNVCZQHLEVMH-SFHVURJKSA-N 1 2 543.508 5.047 1 0 KKAFLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096272162 562794025 /nfs/dbraw/zinc/79/40/25/562794025.db2.gz JUNNVCZQHLEVMH-GOSISDBHSA-N 1 2 543.508 5.047 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccc(F)cc2)cc2c[nH]nc21 ZINC000096284726 562795345 /nfs/dbraw/zinc/79/53/45/562795345.db2.gz ZZXHJYKDDQFFMU-SSEXGKCCSA-N 1 2 606.706 5.761 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCC4CCCCC4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913934 562800600 /nfs/dbraw/zinc/80/06/00/562800600.db2.gz JNDOTITYLUSWQG-SSEXGKCCSA-N 1 2 572.746 6.130 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCC4CCCCC4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913934 562800601 /nfs/dbraw/zinc/80/06/01/562800601.db2.gz JNDOTITYLUSWQG-SSEXGKCCSA-N 1 2 572.746 6.130 1 0 KKAFLO O=C(Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000098209109 562806051 /nfs/dbraw/zinc/80/60/51/562806051.db2.gz RKYWJGOKHMLHHS-MHZLTWQESA-N 1 2 605.353 7.813 1 0 in-vitro KKAFLO C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)[C@H]1[NH2+]C=C(CCc2ccccc2)S1 ZINC000100645814 562807217 /nfs/dbraw/zinc/80/72/17/562807217.db2.gz IQSWDZUJSSCOIV-YCFCNZCISA-N 1 2 541.761 7.157 1 0 KKAFLO COc1cc(-c2nnc3n([C@H](CCS(C)(=O)=O)c4ccc(F)cc4)cc(Cl)cc2-3)ccc1-n1c[nH+]c(C)c1 ZINC000102945180 562813650 /nfs/dbraw/zinc/81/36/50/562813650.db2.gz SASWPIJNMSYVDI-HSZRJFAPSA-N 1 2 554.047 5.369 1 0 KKAFLO CCCCCCOc1ccc([NH+]=C(NCCCCCCCCc2ccc(C(C)(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103217102 562817177 /nfs/dbraw/zinc/81/71/77/562817177.db2.gz DTBQYSNXKOXLMZ-UHFFFAOYSA-N 1 2 606.848 8.576 1 0 KKAFLO CCC(CC)c1nc(-c2ccc(N3CC[NH+]([C@@H](C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 ZINC000103225269 562817640 /nfs/dbraw/zinc/81/76/40/562817640.db2.gz HYZITMLDKVZQPY-AREMUKBSSA-N 1 2 507.654 5.511 1 0 KKAFLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 ZINC000103227786 562817965 /nfs/dbraw/zinc/81/79/65/562817965.db2.gz DUYMQZQSVQSGJR-GDLZYMKVSA-N 1 2 565.133 6.127 1 0 KKAFLO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228640 562818042 /nfs/dbraw/zinc/81/80/42/562818042.db2.gz WMBYFDQIJQYKCC-UHFFFAOYSA-N 1 2 563.651 5.245 1 0 KKAFLO CC(C)Nc1nc(Nc2ccccc2)nc(OCCCCNc2nc(Nc3ccccc3)nc(NC(C)C)[nH+]2)n1 ZINC000103255157 562820754 /nfs/dbraw/zinc/82/07/54/562820754.db2.gz CHDJUEIMQBIAGF-UHFFFAOYSA-N 1 2 543.680 5.456 1 0 KKAFLO Nc1cc2c(cc1N1CCN(c3cccc[nH+]3)CC1)n(Cc1ccc(Cl)cc1)cc(C(=O)OCc1ccc(Cl)cc1)c2=O ZINC000103255750 562820804 /nfs/dbraw/zinc/82/08/04/562820804.db2.gz KKXKGIUXBDOASI-UHFFFAOYSA-N 1 2 614.533 6.017 1 0 KKAFLO CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@H]1c1ccccc1-n1cc[nH+]c1 ZINC000103268268 562822644 /nfs/dbraw/zinc/82/26/44/562822644.db2.gz PHNSNDFSSDONGG-MVSFAKPFSA-N 1 2 600.789 5.680 1 0 KKAFLO CCCOc1ccc(-c2cc([C@@H](C(=O)OCCCO)n3cc4nc(-c5cccc(F)c5F)nc-4c[nH+]3)on2)c(C(F)(F)F)c1 ZINC000103268783 562822737 /nfs/dbraw/zinc/82/27/37/562822737.db2.gz LGBQINUHIWGEER-SANMLTNESA-N 1 2 617.531 5.701 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1-c1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000114037819 562827231 /nfs/dbraw/zinc/82/72/31/562827231.db2.gz JEIDWBHFLNLBQE-UHFFFAOYSA-N 1 2 519.432 5.979 1 0 KKAFLO O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(N2CCC(F)(F)C2)CC1)C1CC1 ZINC000114038334 562827354 /nfs/dbraw/zinc/82/73/54/562827354.db2.gz JXGXXVNULDDODU-UHFFFAOYSA-N 1 2 544.017 7.057 1 0 KKAFLO Cc1c(Cc2cccc(F)c2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092963 562830127 /nfs/dbraw/zinc/83/01/27/562830127.db2.gz BOVTUFXDFCTEJN-UHFFFAOYSA-N 1 2 518.583 6.212 1 0 KKAFLO COc1cccc(Cc2[nH+]c3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118092644 562830142 /nfs/dbraw/zinc/83/01/42/562830142.db2.gz AHYZQEFOHOYMIP-UHFFFAOYSA-N 1 2 530.619 6.082 1 0 KKAFLO Cc1c(-c2cccc(S(C)(=O)=O)c2)[nH+]c2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118095375 562830162 /nfs/dbraw/zinc/83/01/62/562830162.db2.gz DRAIOFZWUAABDN-UHFFFAOYSA-N 1 2 587.717 5.789 1 0 KKAFLO Cc1[nH+]c2ccccc2n1CC(=O)N(c1ccc(NC(=O)C(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140325417 562833002 /nfs/dbraw/zinc/83/30/02/562833002.db2.gz DNUBFHDTUPIDPD-HHHXNRCGSA-N 1 2 545.709 5.690 1 0 KKAFLO COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CC(C)(C)O)n2)ccc1-n1c[nH+]c(C)c1 ZINC000142029394 562833947 /nfs/dbraw/zinc/83/39/47/562833947.db2.gz ICIJXEDXCAIRIT-UHFFFAOYSA-N 1 2 504.488 5.120 1 0 KKAFLO COc1ccc(C(C)(C)c2cnc(SCCOc3ccc(-n4cc[nH+]c4)cc3)n2-c2ccc(F)cc2)cc1OC ZINC000145740338 562837574 /nfs/dbraw/zinc/83/75/74/562837574.db2.gz ZRQBEFYILDBORB-UHFFFAOYSA-N 1 2 558.679 6.711 1 0 KKAFLO COc1cc(-c2cn([C@H]3CCc4c(F)c(Br)ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000145871508 562837708 /nfs/dbraw/zinc/83/77/08/562837708.db2.gz HXLYXVBIWJFTFT-NRFANRHFSA-N 1 2 593.379 5.432 1 0 KKAFLO COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4ccccc4)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000146657529 562838737 /nfs/dbraw/zinc/83/87/37/562838737.db2.gz MPGWLSFOOKKDCL-MUUNZHRXSA-N 1 2 504.594 5.169 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363951 562843352 /nfs/dbraw/zinc/84/33/52/562843352.db2.gz RCKWMABJCMHYRX-KCMFSSCLSA-N 1 2 841.353 5.725 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363951 562843353 /nfs/dbraw/zinc/84/33/53/562843353.db2.gz RCKWMABJCMHYRX-KCMFSSCLSA-N 1 2 841.353 5.725 1 0 KKAFLO O[C@H](COc1c(Br)cc(C2(c3cc(Br)c(OC[C@@H](O)C[NH+]4CCOCC4)c(Br)c3)CCCC2)cc1Br)CN1CCOCC1 ZINC000150571453 562845106 /nfs/dbraw/zinc/84/51/06/562845106.db2.gz VXOHPPOEKZPICY-ZEQRLZLVSA-N 1 2 856.285 5.741 1 0 KKAFLO COc1ccc(C[NH+]2CCN(c3nc(Oc4cccc5cccnc54)nc(Sc4nnc(-c5cc6ccccc6oc5=O)o4)n3)CC2)c(OC)c1OC ZINC000150589068 562846071 /nfs/dbraw/zinc/84/60/71/562846071.db2.gz LMEBLPGZFNPROP-UHFFFAOYSA-N 1 2 732.779 5.868 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604175 562847607 /nfs/dbraw/zinc/84/76/07/562847607.db2.gz SBBZCSSPXOWAMS-RRURFNPQSA-N 1 2 742.972 6.244 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604175 562847608 /nfs/dbraw/zinc/84/76/08/562847608.db2.gz SBBZCSSPXOWAMS-RRURFNPQSA-N 1 2 742.972 6.244 1 0 KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000165222140 562849886 /nfs/dbraw/zinc/84/98/86/562849886.db2.gz SHGYNXXABXGXNI-NVDXAGTOSA-N 1 2 703.928 6.289 1 0 investigational KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000165222140 562849887 /nfs/dbraw/zinc/84/98/87/562849887.db2.gz SHGYNXXABXGXNI-NVDXAGTOSA-N 1 2 703.928 6.289 1 0 investigational KKAFLO O[C@@H](c1ccccc1)[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330916 562858855 /nfs/dbraw/zinc/85/88/55/562858855.db2.gz KTWPPHPCLMIACC-ZWXJPIIXSA-N 1 2 513.081 6.512 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(I)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC ZINC000169333360 562859281 /nfs/dbraw/zinc/85/92/81/562859281.db2.gz YARRECJIJYGRPI-UHFFFAOYSA-N 1 2 655.395 6.330 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000169339724 562860451 /nfs/dbraw/zinc/86/04/51/562860451.db2.gz QQYYCLHUDLWINO-SSEXGKCCSA-N 1 2 604.201 6.115 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000169339711 562860472 /nfs/dbraw/zinc/86/04/72/562860472.db2.gz XDPGDIUQGLHHQP-SSEXGKCCSA-N 1 2 569.756 5.461 1 0 KKAFLO Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc[nH+]cc4)cc3)c3ccccc3n2)cc1C ZINC000169341210 562860769 /nfs/dbraw/zinc/86/07/69/562860769.db2.gz SBUYCXHQLFFYLM-UHFFFAOYSA-N 1 2 508.603 5.967 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3cnn(C)c3)c2)cc1F ZINC000169344653 562861446 /nfs/dbraw/zinc/86/14/46/562861446.db2.gz LPCWRKLTAPXZDQ-UHFFFAOYSA-N 1 2 660.772 5.392 1 0 KKAFLO O=C(OC[C@@H](C1CCCCC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000169353021 562863321 /nfs/dbraw/zinc/86/33/21/562863321.db2.gz YKSWAAHSHPVWLU-LHEWISCISA-N 1 2 690.263 9.475 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)N[C@@H](Cc3ccccc3)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700916 562867788 /nfs/dbraw/zinc/86/77/88/562867788.db2.gz GMMMMSVTUNACQG-SANMLTNESA-N 1 2 725.590 8.035 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700909 562867799 /nfs/dbraw/zinc/86/77/99/562867799.db2.gz CEFCDNZNDCSAEL-HHHXNRCGSA-N 1 2 711.563 8.165 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NCC3CCC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703104 562868575 /nfs/dbraw/zinc/86/85/75/562868575.db2.gz CKXAVUPNJQBCEH-UHFFFAOYSA-N 1 2 596.506 6.460 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCc3ccccc3C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703084 562868585 /nfs/dbraw/zinc/86/85/85/562868585.db2.gz AXQPEIJSNMFGIW-UHFFFAOYSA-N 1 2 686.509 7.879 1 0 KKAFLO O=C(NCC(F)(F)F)Nc1cc(Br)cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000169704740 562869105 /nfs/dbraw/zinc/86/91/05/562869105.db2.gz NSOPAAHEWFDMGX-UHFFFAOYSA-N 1 2 559.268 5.923 1 0 KKAFLO O=C(NCC(F)(F)F)Nc1cc(Cl)cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000169704743 562869146 /nfs/dbraw/zinc/86/91/46/562869146.db2.gz WNCQEKLGKYUWQO-UHFFFAOYSA-N 1 2 514.817 5.814 1 0 KKAFLO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CCCN(CC[NH+](C)C)C1 ZINC000203987276 562874270 /nfs/dbraw/zinc/87/42/70/562874270.db2.gz HBCSKPHEJXULQA-IBGZPJMESA-N 1 2 501.458 5.555 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1-c1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000203987071 562874274 /nfs/dbraw/zinc/87/42/74/562874274.db2.gz VNLFKSIEMHTZQT-UHFFFAOYSA-N 1 2 547.482 7.649 1 0 KKAFLO C[C@@H](c1ccncc1)N1CC[NH+](Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1 ZINC000205445396 562875406 /nfs/dbraw/zinc/87/54/06/562875406.db2.gz DNTMCNBTTISIRL-IBGZPJMESA-N 1 2 523.521 5.940 1 0 KKAFLO C[C@@H](c1ccncc1)[NH+]1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1 ZINC000205445396 562875407 /nfs/dbraw/zinc/87/54/07/562875407.db2.gz DNTMCNBTTISIRL-IBGZPJMESA-N 1 2 523.521 5.940 1 0 KKAFLO C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)CC1 ZINC000215494996 562877390 /nfs/dbraw/zinc/87/73/90/562877390.db2.gz WGIPOIJAYZGXFD-UHFFFAOYSA-N 1 2 525.556 5.230 1 0 KKAFLO C[N@@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)CC1 ZINC000215494996 562877391 /nfs/dbraw/zinc/87/73/91/562877391.db2.gz WGIPOIJAYZGXFD-UHFFFAOYSA-N 1 2 525.556 5.230 1 0 KKAFLO [NH3+]C1CCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000219354962 562878143 /nfs/dbraw/zinc/87/81/43/562878143.db2.gz IDXVAWKPYYMUGK-UHFFFAOYSA-N 1 2 549.462 5.968 1 0 KKAFLO Cc1nn(-c2ccc(C)cc2)c(C)c1C[N@@H+]1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220160441 562878379 /nfs/dbraw/zinc/87/83/79/562878379.db2.gz UKRTYGVANCAREZ-UHFFFAOYSA-N 1 2 614.831 7.809 1 0 KKAFLO Cc1nn(-c2ccc(C)cc2)c(C)c1C[N@H+]1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220160441 562878380 /nfs/dbraw/zinc/87/83/80/562878380.db2.gz UKRTYGVANCAREZ-UHFFFAOYSA-N 1 2 614.831 7.809 1 0 KKAFLO CC(C)(C)c1ncc(C[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)s1 ZINC000220158718 562878409 /nfs/dbraw/zinc/87/84/09/562878409.db2.gz RBIIRDZYGLPGBR-UHFFFAOYSA-N 1 2 569.812 7.452 1 0 KKAFLO CC(C)(C)c1ncc(C[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)s1 ZINC000220158718 562878410 /nfs/dbraw/zinc/87/84/10/562878410.db2.gz RBIIRDZYGLPGBR-UHFFFAOYSA-N 1 2 569.812 7.452 1 0 KKAFLO COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4[nH+]c3[C@@H]3CC3(C)C)c(F)c2)cn1 ZINC000220524642 562878575 /nfs/dbraw/zinc/87/85/75/562878575.db2.gz LXQIXGHIRQOLRH-NDEPHWFRSA-N 1 2 558.657 7.935 1 0 KKAFLO Cc1cc2[nH+]c(N(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2cc1C ZINC000253665703 562882678 /nfs/dbraw/zinc/88/26/78/562882678.db2.gz GLRUMVHZMOEWPW-YHBQERECSA-N 1 2 514.678 5.567 1 0 KKAFLO 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](NC(=O)OC)[C@@H](C)OC)[nH+]4)CC3)cc2)c[nH]1)[C@@H](C)OC ZINC000299830109 562885083 /nfs/dbraw/zinc/88/50/83/562885083.db2.gz WKGZLSCPSQDYDO-GFYFZUNGSA-N 1 2 776.936 5.087 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc3[nH]ccc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299837393 562887482 /nfs/dbraw/zinc/88/74/82/562887482.db2.gz KBTIMMLOBWCAST-UHFFFAOYSA-N 1 2 602.617 6.660 1 0 KKAFLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CC[NH2+]CC6)sc5c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299843479 562889029 /nfs/dbraw/zinc/88/90/29/562889029.db2.gz ZARCYRCSIPWCIF-CWERTZRHSA-N 1 2 822.978 5.068 1 0 KKAFLO COc1cc2c(cc1OCc1ccccc1)nncc2-c1ccc(N2CCC(O)(c3cccnc3)CC2)[nH+]c1 ZINC000299865397 562894388 /nfs/dbraw/zinc/89/43/88/562894388.db2.gz NQHLEHQTDXRJSD-UHFFFAOYSA-N 1 2 519.605 5.162 1 0 KKAFLO COc1cc(-c2cn([C@@H]3CCc4c5ccccc5ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000473096812 562897894 /nfs/dbraw/zinc/89/78/94/562897894.db2.gz AMACJRIXBHCKJL-AREMUKBSSA-N 1 2 546.553 5.684 1 0 KKAFLO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 562901770 /nfs/dbraw/zinc/90/17/70/562901770.db2.gz MQZWPCCIMNZVNV-ZPMCFJSWSA-N 1 2 540.054 6.429 1 0 KKAFLO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 562901771 /nfs/dbraw/zinc/90/17/71/562901771.db2.gz MQZWPCCIMNZVNV-ZPMCFJSWSA-N 1 2 540.054 6.429 1 0 KKAFLO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccn3nccc3n2)C2CCCC2)nn1 ZINC000473154337 562902138 /nfs/dbraw/zinc/90/21/38/562902138.db2.gz GJWDUYBKAOXWIS-ZTOMLWHTSA-N 1 2 587.622 5.452 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473164923 562902829 /nfs/dbraw/zinc/90/28/29/562902829.db2.gz FLJUBDLWTYCPIE-UAPYVXQJSA-N 1 2 513.469 6.000 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000473213486 562903870 /nfs/dbraw/zinc/90/38/70/562903870.db2.gz MFVYUXAOMUYLIA-UHFFFAOYSA-N 1 2 536.463 5.425 1 0 KKAFLO O=C([O-])C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215230 562903919 /nfs/dbraw/zinc/90/39/19/562903919.db2.gz CLHWZIKMCHBNFA-CXKPPADYSA-N 1 2 504.719 6.175 1 0 KKAFLO O=C([O-])C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215230 562903920 /nfs/dbraw/zinc/90/39/20/562903920.db2.gz CLHWZIKMCHBNFA-CXKPPADYSA-N 1 2 504.719 6.175 1 0 KKAFLO O=C([O-])C[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215230 562903921 /nfs/dbraw/zinc/90/39/21/562903921.db2.gz CLHWZIKMCHBNFA-CXKPPADYSA-N 1 2 504.719 6.175 1 0 KKAFLO O=C([O-])C[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215230 562903922 /nfs/dbraw/zinc/90/39/22/562903922.db2.gz CLHWZIKMCHBNFA-CXKPPADYSA-N 1 2 504.719 6.175 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)Nc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653694180 562906902 /nfs/dbraw/zinc/90/69/02/562906902.db2.gz FWTFRDCXSJWXPR-UHFFFAOYSA-N 1 2 600.683 6.039 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccccc3F)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653697699 562907147 /nfs/dbraw/zinc/90/71/47/562907147.db2.gz SUJUZSXFSKWECJ-UHFFFAOYSA-N 1 2 616.701 5.890 1 0 KKAFLO Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4[nH]c(C)[nH+]c4c3)c3ccc(O)c(F)c3)c(Cl)c2)n1 ZINC000653730882 562909443 /nfs/dbraw/zinc/90/94/43/562909443.db2.gz VVNXUQUIOABXPY-SFHVURJKSA-N 1 2 539.398 5.474 1 0 KKAFLO Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4[nH+]c(C)[nH]c4c3)c3ccc(O)c(F)c3)c(Cl)c2)n1 ZINC000653730882 562909444 /nfs/dbraw/zinc/90/94/44/562909444.db2.gz VVNXUQUIOABXPY-SFHVURJKSA-N 1 2 539.398 5.474 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=[NH+]1 ZINC000653760027 562911210 /nfs/dbraw/zinc/91/12/10/562911210.db2.gz GEVKIAUMVKQPCK-HHHXNRCGSA-N 1 2 581.478 5.505 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1OCc1ccc(F)cc1)Cc1ccccc1OCc1ccc(F)cc1)C(=O)[O-] ZINC000653762755 562911458 /nfs/dbraw/zinc/91/14/58/562911458.db2.gz IWIYOBMPFZAQBZ-LJAQVGFWSA-N 1 2 546.614 5.927 1 0 KKAFLO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769223 562911792 /nfs/dbraw/zinc/91/17/92/562911792.db2.gz MIDBSZHCPLCZDJ-UHFFFAOYSA-N 1 2 545.039 5.196 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653794448 562912928 /nfs/dbraw/zinc/91/29/28/562912928.db2.gz UKZWQHUHEACMLG-UHFFFAOYSA-N 1 2 576.623 6.094 1 0 KKAFLO Cc1[nH+]c2cc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ncccn4)n3)ccc2n1Cc1ccccc1 ZINC000653799602 562913269 /nfs/dbraw/zinc/91/32/69/562913269.db2.gz OWGQIWZLINBIHM-UHFFFAOYSA-N 1 2 518.560 5.738 1 0 KKAFLO C/C=C(\C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C)C1CCCC1 ZINC000085595256 565152743 /nfs/dbraw/zinc/15/27/43/565152743.db2.gz LFXFUSOZDJPIAN-IGGRRGLOSA-N 1 2 640.733 5.810 1 0 biogenic,in-vitro KKAFLO C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C)C1CCCC1 ZINC000085595256 565152745 /nfs/dbraw/zinc/15/27/45/565152745.db2.gz LFXFUSOZDJPIAN-IGGRRGLOSA-N 1 2 640.733 5.810 1 0 biogenic,in-vitro KKAFLO CC(=O)O[C@H](CCc1cc(OC2CCCC2)c(O)cc1-c1cc[nH+]c(N)c1)C[C@H](CC1CCCCC1)OC(C)=O ZINC000085629440 291901469 /nfs/dbraw/zinc/90/14/69/291901469.db2.gz VHOMDZYCUPPKLH-IZLXSDGUSA-N 1 2 552.712 6.514 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C([C@H]3c4cc[nH+]c(N)c4CC[C@@H]3N3C(=O)C=CC3=O)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571163 291919309 /nfs/dbraw/zinc/91/93/09/291919309.db2.gz GOQNMMODIXIYBD-QWSDXDRJSA-N 1 2 675.826 6.669 1 0 biogenic,in-vitro KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CC1 ZINC000003937457 561688730 /nfs/dbraw/zinc/68/87/30/561688730.db2.gz WOZVVFKBCBNPBT-BHVANESWSA-N 1 2 671.798 5.703 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CC1 ZINC000003937457 561688732 /nfs/dbraw/zinc/68/87/32/561688732.db2.gz WOZVVFKBCBNPBT-BHVANESWSA-N 1 2 671.798 5.703 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CCC1 ZINC000003937452 561688799 /nfs/dbraw/zinc/68/87/99/561688799.db2.gz HNXRTWHXWCHGID-QNGWXLTQSA-N 1 2 685.825 6.093 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CCC1 ZINC000003937452 561688801 /nfs/dbraw/zinc/68/88/01/561688801.db2.gz HNXRTWHXWCHGID-QNGWXLTQSA-N 1 2 685.825 6.093 1 0 KKAFLO C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=[NH+]/CCOC(=O)c5cccc6cc7ccccc7nc65)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000005544610 561696636 /nfs/dbraw/zinc/69/66/36/561696636.db2.gz FGPQFRAMWAWRGN-YXIKAUAYSA-N 1 2 546.711 6.923 1 0 KKAFLO C(=C\CCC[N@@H+]1O[C@@H](CCCCCCCCc2cccnc2)[C@H]2CCC[C@H]21)\CCCCCCCCCc1cccnc1 ZINC000005597095 561697408 /nfs/dbraw/zinc/69/74/08/561697408.db2.gz HGHNPXOXZZBCDJ-RICYTYLWSA-N 1 2 573.910 10.234 1 0 KKAFLO C(=C\CCC[N@H+]1O[C@@H](CCCCCCCCc2cccnc2)[C@H]2CCC[C@H]21)\CCCCCCCCCc1cccnc1 ZINC000005597095 561697409 /nfs/dbraw/zinc/69/74/09/561697409.db2.gz HGHNPXOXZZBCDJ-RICYTYLWSA-N 1 2 573.910 10.234 1 0 KKAFLO CCC[NH+](CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 ZINC000013611743 561722017 /nfs/dbraw/zinc/72/20/17/561722017.db2.gz WSSVKAAIGVWZQY-UHFFFAOYSA-N 1 2 504.121 6.810 1 0 KKAFLO O=C(OCc1ccccc1)c1c(Cl)c(CCn2c[nH+]c3c2NC=NC[C@@H]3O)c2c(c1Cl)CCCC2 ZINC000013861961 561734781 /nfs/dbraw/zinc/73/47/81/561734781.db2.gz BTMGEDFAWKMHMZ-FQEVSTJZSA-N 1 2 513.425 5.156 1 0 KKAFLO CC[C@@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943516 561741870 /nfs/dbraw/zinc/74/18/70/561741870.db2.gz ZNEZCXJJIUHKKH-LAJKQIPCSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943516 561741872 /nfs/dbraw/zinc/74/18/72/561741872.db2.gz ZNEZCXJJIUHKKH-LAJKQIPCSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943519 561741887 /nfs/dbraw/zinc/74/18/87/561741887.db2.gz ZNEZCXJJIUHKKH-FZIXDTKSSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943519 561741889 /nfs/dbraw/zinc/74/18/89/561741889.db2.gz ZNEZCXJJIUHKKH-FZIXDTKSSA-N 1 2 626.754 6.421 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[NH+]2CCC(O)CC2)c1Cl ZINC000014963050 561748822 /nfs/dbraw/zinc/74/88/22/561748822.db2.gz SEEPETPHVJFUOK-UHFFFAOYSA-N 1 2 569.898 5.573 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2cc[nH+]c2)c1Cl ZINC000014963196 561748981 /nfs/dbraw/zinc/74/89/81/561748981.db2.gz QBKJMJCFJKCLRF-UHFFFAOYSA-N 1 2 536.828 5.861 1 0 KKAFLO O=C(OCCN1CC[NH+](CCOC(=O)C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000022448253 561759007 /nfs/dbraw/zinc/75/90/07/561759007.db2.gz IHPKCQRRLLCVPT-UHFFFAOYSA-N 1 2 562.710 5.355 1 0 KKAFLO O=S(=O)(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2c[nH+]c[nH]2)[C@H](CCc2ccccc2)C1 ZINC000025981044 561763873 /nfs/dbraw/zinc/76/38/73/561763873.db2.gz JRGUHOSLFBIWAQ-MUUNZHRXSA-N 1 2 522.674 5.775 1 0 KKAFLO O=S(=O)(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2c[nH]c[nH+]2)[C@H](CCc2ccccc2)C1 ZINC000025981044 561763875 /nfs/dbraw/zinc/76/38/75/561763875.db2.gz JRGUHOSLFBIWAQ-MUUNZHRXSA-N 1 2 522.674 5.775 1 0 KKAFLO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccco2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026284327 561779600 /nfs/dbraw/zinc/77/96/00/561779600.db2.gz AJSJTPARXRHMIG-UHFFFAOYSA-N 1 2 641.744 6.659 1 0 KKAFLO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccco2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026284327 561779603 /nfs/dbraw/zinc/77/96/03/561779603.db2.gz AJSJTPARXRHMIG-UHFFFAOYSA-N 1 2 641.744 6.659 1 0 KKAFLO CC(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1[nH]c(C(C)C)c[nH+]1)C(C)C ZINC000026489602 561793003 /nfs/dbraw/zinc/79/30/03/561793003.db2.gz CHIPAHFFXADKDX-QMGVEFKFSA-N 1 2 562.755 5.497 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NC(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000026491892 561793586 /nfs/dbraw/zinc/79/35/86/561793586.db2.gz ZNEZCXJJIUHKKH-MRLTYDNFSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NC(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000026491892 561793588 /nfs/dbraw/zinc/79/35/88/561793588.db2.gz ZNEZCXJJIUHKKH-MRLTYDNFSA-N 1 2 626.754 6.421 1 0 KKAFLO CCOC(=O)[C@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669453 561812036 /nfs/dbraw/zinc/81/20/36/561812036.db2.gz PVTFSFOLZGVZIC-ZTTXAYQISA-N 1 2 729.985 5.100 1 0 KKAFLO CCOC(=O)[C@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669453 561812038 /nfs/dbraw/zinc/81/20/38/561812038.db2.gz PVTFSFOLZGVZIC-ZTTXAYQISA-N 1 2 729.985 5.100 1 0 KKAFLO C[C@@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000027080642 561834998 /nfs/dbraw/zinc/83/49/98/561834998.db2.gz LHWFFKQEXHJCEB-IVUOSGLUSA-N 1 2 659.787 5.602 1 0 KKAFLO C[C@@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000027080642 561835000 /nfs/dbraw/zinc/83/50/00/561835000.db2.gz LHWFFKQEXHJCEB-IVUOSGLUSA-N 1 2 659.787 5.602 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@H](c2ccccc2Cl)C1C(=O)OCCOC ZINC000026839459 561825286 /nfs/dbraw/zinc/82/52/86/561825286.db2.gz VSBQMHAEFRINSA-MYBLTPEZSA-N 1 2 587.076 6.347 1 0 KKAFLO CON(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000027299495 561848709 /nfs/dbraw/zinc/84/87/09/561848709.db2.gz UWBGLUNBUMFOSR-QOEXFKEZSA-N 1 2 677.846 5.147 1 0 KKAFLO CON(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000027299495 561848710 /nfs/dbraw/zinc/84/87/10/561848710.db2.gz UWBGLUNBUMFOSR-QOEXFKEZSA-N 1 2 677.846 5.147 1 0 KKAFLO COCC[NH+](CCOC)Cc1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc(Br)cc2)n1 ZINC000027518944 561862783 /nfs/dbraw/zinc/86/27/83/561862783.db2.gz LHRKGKRKRYDLCE-UHFFFAOYSA-N 1 2 638.407 6.411 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCS(=O)CC3)c3ccccc23)cc1 ZINC000027524802 561865921 /nfs/dbraw/zinc/86/59/21/561865921.db2.gz UQDWAVPZBOQOCI-UHFFFAOYSA-N 1 2 559.736 5.719 1 0 KKAFLO O=C(CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 ZINC000027558873 561870079 /nfs/dbraw/zinc/87/00/79/561870079.db2.gz WDXHEDSUUDLQKV-BHVANESWSA-N 1 2 648.696 7.413 1 0 KKAFLO Cc1ccc(CCNc2ccc([C@H](Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)c[nH+]2)cc1 ZINC000027848908 561885864 /nfs/dbraw/zinc/88/58/64/561885864.db2.gz WPJSVTWGBMKFBF-XMMPIXPASA-N 1 2 541.545 6.255 1 0 KKAFLO O=C(Nc1ccc(Oc2cncc(C(=O)NCC[NH+]3CCOCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000027877751 561888782 /nfs/dbraw/zinc/88/87/82/561888782.db2.gz KXIFYAXVDDAFBG-UHFFFAOYSA-N 1 2 563.964 5.252 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC[NH+]([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027986473 561892353 /nfs/dbraw/zinc/89/23/53/561892353.db2.gz YDDWRTVPRXYBAT-NDEPHWFRSA-N 1 2 539.120 5.104 1 0 KKAFLO O=C1c2c(cc(N3CCOCC3)[nH+]c2-c2ccccc2)OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028136533 561906752 /nfs/dbraw/zinc/90/67/52/561906752.db2.gz HVVXOEOURPNUSM-UHFFFAOYSA-N 1 2 565.514 6.048 1 0 KKAFLO C[C@@H](c1nc2ccccc2c(=O)n1N1CC[NH+](C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccc(OCC2CC2)cc1OCC1CC1 ZINC000028391199 561922215 /nfs/dbraw/zinc/92/22/15/561922215.db2.gz XYIBSLIRPZZEBK-DEOSSOPVSA-N 1 2 640.760 5.796 1 0 KKAFLO C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H]([NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)[C@H]12 ZINC000028460456 561925065 /nfs/dbraw/zinc/92/50/65/561925065.db2.gz JOKSRMFADWQTKR-NVUDGKPJSA-N 1 2 637.825 5.738 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000028522985 561929864 /nfs/dbraw/zinc/92/98/64/561929864.db2.gz MUCLFAUMYUHFOS-XMMPIXPASA-N 1 2 576.587 5.360 1 0 KKAFLO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 ZINC000028523558 561930256 /nfs/dbraw/zinc/93/02/56/561930256.db2.gz NISQXPDZBAPPBD-UHFFFAOYSA-N 1 2 512.610 5.383 1 0 KKAFLO COc1cc(-c2cc(SC)n(-c3nc(NCc4ccccc4)[nH+]c(NCc4ccccc4)n3)n2)cc(OC)c1OC ZINC000028528651 561933245 /nfs/dbraw/zinc/93/32/45/561933245.db2.gz GUBJYVZZFRBQOL-UHFFFAOYSA-N 1 2 569.691 5.696 1 0 KKAFLO COc1cc(-c2cc(SC)n(-c3nc(NC4CCCCC4)[nH+]c(NC4CCCCC4)n3)n2)cc(OC)c1OC ZINC000028528854 561933459 /nfs/dbraw/zinc/93/34/59/561933459.db2.gz XWEJPPMZWVEKBS-UHFFFAOYSA-N 1 2 553.733 5.961 1 0 KKAFLO O=C(NCCCc1c[nH+]c[nH]1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569130 561937750 /nfs/dbraw/zinc/93/77/50/561937750.db2.gz DKBCPWSPMZLASX-DGPALRBDSA-N 1 2 669.068 5.186 1 0 KKAFLO O=C(NCCCc1c[nH]c[nH+]1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569130 561937751 /nfs/dbraw/zinc/93/77/51/561937751.db2.gz DKBCPWSPMZLASX-DGPALRBDSA-N 1 2 669.068 5.186 1 0 KKAFLO CCCOc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3cc(-n4cc[nH+]c4)cc(C)c3[nH]2)cc1Cl ZINC000028703578 561947854 /nfs/dbraw/zinc/94/78/54/561947854.db2.gz QCLLJBIDXQRZLO-JOCHJYFZSA-N 1 2 519.005 5.000 1 0 KKAFLO Cn1c[nH+]cc1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1 ZINC000028712116 561952655 /nfs/dbraw/zinc/95/26/55/561952655.db2.gz HDGFQGNDTIVLBZ-SANMLTNESA-N 1 2 535.974 5.367 1 0 KKAFLO CCCCc1[nH+]c2ccc(C3=NNC(=O)C[C@@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028755787 561955850 /nfs/dbraw/zinc/95/58/50/561955850.db2.gz UIOODGFNLCGWIH-IBGZPJMESA-N 1 2 518.625 5.134 1 0 KKAFLO Cc1cccc(C2(O)CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)c1 ZINC000028768746 561960460 /nfs/dbraw/zinc/96/04/60/561960460.db2.gz SWTDYLJYAKOKSU-UHFFFAOYSA-N 1 2 505.540 6.429 1 0 KKAFLO Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028768772 561960634 /nfs/dbraw/zinc/96/06/34/561960634.db2.gz ILMMTNWHFSVEAA-UHFFFAOYSA-N 1 2 526.584 5.817 1 0 KKAFLO O=C(CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)NCc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)cc1 ZINC000028817796 561965075 /nfs/dbraw/zinc/96/50/75/561965075.db2.gz OAHWOIJCVJDDOC-UHFFFAOYSA-N 1 2 639.747 8.007 1 0 KKAFLO Cc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@@H](NC(=O)Oc1ccccc1F)C(C)C ZINC000028821688 561966633 /nfs/dbraw/zinc/96/66/33/561966633.db2.gz HMJCRVRGZFQOMD-MUUNZHRXSA-N 1 2 513.657 8.038 1 0 KKAFLO CSc1ccc(/C=C/c2ccc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCC[NH+]6CCOCC6)n(C)c5)n(C)c4)ccc3n2)cc1 ZINC000028864925 561973201 /nfs/dbraw/zinc/97/32/01/561973201.db2.gz PEGUGHQKENRNNI-RUDMXATFSA-N 1 2 677.831 5.371 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)o3)c3ccccc23)cc1 ZINC000028899811 561979619 /nfs/dbraw/zinc/97/96/19/561979619.db2.gz IKJJFZMMHAIPNB-UHFFFAOYSA-N 1 2 563.702 7.368 1 0 KKAFLO COc1ccccc1N1CC[NH+](CCCOc2cc3c(cc2OC)-c2[nH]nc(-c4ccc(-c5ccc(O)cc5)cc4)c2C3)CC1 ZINC000028952714 561982219 /nfs/dbraw/zinc/98/22/19/561982219.db2.gz AMYBJHMUONETNW-UHFFFAOYSA-N 1 2 602.735 6.629 1 0 KKAFLO COc1ccccc1N1CC[NH+](CCCOc2cc3c(cc2OC)-c2n[nH]c(-c4ccc(-c5ccc(O)cc5)cc4)c2C3)CC1 ZINC000028952714 561982221 /nfs/dbraw/zinc/98/22/21/561982221.db2.gz AMYBJHMUONETNW-UHFFFAOYSA-N 1 2 602.735 6.629 1 0 KKAFLO COCCN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)ns3)cc2)nc[nH+]1 ZINC000028953206 561982307 /nfs/dbraw/zinc/98/23/07/561982307.db2.gz RNDKLAJBVAMORT-UHFFFAOYSA-N 1 2 547.538 5.232 1 0 KKAFLO O[C@](COc1ccc(-c2ccc(NCc3cccc(Cl)c3)[nH+]c2)cc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000029046666 561993044 /nfs/dbraw/zinc/99/30/44/561993044.db2.gz XWLZINMZKFXHEP-LJAQVGFWSA-N 1 2 547.993 5.851 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(OCC[NH+]3CCOCC3)c3ccc(Cl)cc23)cc1 ZINC000029126181 561998552 /nfs/dbraw/zinc/99/85/52/561998552.db2.gz KMJJCZVUYDIXTL-UHFFFAOYSA-N 1 2 575.109 5.817 1 0 KKAFLO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCC[NH+]2CCOCC2)c2ccccc12 ZINC000029126227 561998576 /nfs/dbraw/zinc/99/85/76/561998576.db2.gz HKNRETMMTGULKN-UHFFFAOYSA-N 1 2 540.664 5.164 1 0 KKAFLO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@H]([NH3+])Cc2ccccc2)c1=O ZINC000029235484 562009603 /nfs/dbraw/zinc/00/96/03/562009603.db2.gz RIFWCGCOPPCCHA-AREMUKBSSA-N 1 2 549.454 5.805 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755078 562037491 /nfs/dbraw/zinc/03/74/91/562037491.db2.gz CBNGIDPDOUWHDP-VXKWHMMOSA-N 1 2 515.760 7.043 1 0 KKAFLO COc1cccc2c(C(=O)c3ccc(Br)c4ccccc34)c(C)n(CC[NH+]3CCOCC3)c21 ZINC000034026362 562038089 /nfs/dbraw/zinc/03/80/89/562038089.db2.gz OKLQXZSFLXZPLW-UHFFFAOYSA-N 1 2 507.428 5.437 1 0 KKAFLO C[NH+]1CCN(Cc2cc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3s2)CC1 ZINC000034663411 562039555 /nfs/dbraw/zinc/03/95/55/562039555.db2.gz XYCZXPVVNCEPEF-UHFFFAOYSA-N 1 2 507.084 5.730 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ccco2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000036160518 562048354 /nfs/dbraw/zinc/04/83/54/562048354.db2.gz FOWBIQIEPIBKKC-ZQWAWDFXSA-N 1 2 636.793 6.931 1 0 KKAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(Br)c1 ZINC000036330410 562055730 /nfs/dbraw/zinc/05/57/30/562055730.db2.gz DIBXXBYKQOAPHR-HHHXNRCGSA-N 1 2 517.427 5.569 1 0 KKAFLO Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)cc1 ZINC000036338857 562057458 /nfs/dbraw/zinc/05/74/58/562057458.db2.gz DNQBBKLYBVCDBY-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)cc1 ZINC000036338857 562057460 /nfs/dbraw/zinc/05/74/60/562057460.db2.gz DNQBBKLYBVCDBY-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1ccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)cc1 ZINC000036338857 562057463 /nfs/dbraw/zinc/05/74/63/562057463.db2.gz DNQBBKLYBVCDBY-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)N(CCC(C)C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338859 562057492 /nfs/dbraw/zinc/05/74/92/562057492.db2.gz WMNVNRZPBVAORA-UHFFFAOYSA-N 1 2 582.818 6.845 1 0 KKAFLO Cc1cccc(NC(=O)N(CCC(C)C)Cc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338859 562057494 /nfs/dbraw/zinc/05/74/94/562057494.db2.gz WMNVNRZPBVAORA-UHFFFAOYSA-N 1 2 582.818 6.845 1 0 KKAFLO Cc1cccc(NC(=O)N(CCC(C)C)Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338859 562057497 /nfs/dbraw/zinc/05/74/97/562057497.db2.gz WMNVNRZPBVAORA-UHFFFAOYSA-N 1 2 582.818 6.845 1 0 KKAFLO CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)[NH2+][C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000038144575 562064053 /nfs/dbraw/zinc/06/40/53/562064053.db2.gz OZIUWBAUEHSBIP-DOUCHOMGSA-N 1 2 537.443 5.080 3 0 KKAFLO O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCCn3cc[nH+]c3)c1cc2-c1c(Cl)cccc1Cl ZINC000038804714 562072294 /nfs/dbraw/zinc/07/22/94/562072294.db2.gz MVJZWAJTUZRAKA-UHFFFAOYSA-N 1 2 505.361 5.644 1 0 KKAFLO COc1cc2[nH+]cn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)N(C)C)s3)c2cc1OC ZINC000040934219 562084767 /nfs/dbraw/zinc/08/47/67/562084767.db2.gz CKYDKNBLVBVPCS-UHFFFAOYSA-N 1 2 505.518 5.404 1 0 KKAFLO CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=[NH+]1 ZINC000103533212 560050919 /nfs/dbraw/zinc/05/09/19/560050919.db2.gz GHVGIDCBTAFBII-UHFFFAOYSA-N 1 2 554.619 5.770 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C(C3(c4cc[nH+]c(N)c4)CCCC3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571191 560069905 /nfs/dbraw/zinc/06/99/05/560069905.db2.gz AOGUGYZJVYKNFZ-NKUCLGPASA-N 1 2 594.796 8.157 1 0 biogenic,in-vitro KKAFLO Clc1ccc2ccc(C=Cc3cccc(Cn4c5ccccc5c5c4C[N@@H+](CCc4nn[nH]n4)CC5)c3)nc2c1 ZINC000043078853 562645791 /nfs/dbraw/zinc/64/57/91/562645791.db2.gz RGYGJPGSQUMFRC-XYOKQWHBSA-N 1 2 546.078 6.176 1 0 KKAFLO Clc1ccc2ccc(C=Cc3cccc(Cn4c5ccccc5c5c4C[N@H+](CCc4nn[nH]n4)CC5)c3)nc2c1 ZINC000043078853 562645792 /nfs/dbraw/zinc/64/57/92/562645792.db2.gz RGYGJPGSQUMFRC-XYOKQWHBSA-N 1 2 546.078 6.176 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000043202263 562646916 /nfs/dbraw/zinc/64/69/16/562646916.db2.gz QMDDHVPNWRIYII-UHFFFAOYSA-N 1 2 584.455 6.643 1 0 KKAFLO COc1ccc(Cn2c3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3[nH+]c2N(C)C)cc1 ZINC000044069541 562652091 /nfs/dbraw/zinc/65/20/91/562652091.db2.gz MHLVGKWMEPPXSU-UHFFFAOYSA-N 1 2 542.064 6.240 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc(Nc5ccc(C(F)(F)F)cc5)n(C)c4=O)cc3F)c2cc1OC ZINC000044305631 562653506 /nfs/dbraw/zinc/65/35/06/562653506.db2.gz WKDSRSWTJRXFHC-UHFFFAOYSA-N 1 2 566.511 6.707 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2-c2nc[nH]n2)cc1 ZINC000044306701 562653808 /nfs/dbraw/zinc/65/38/08/562653808.db2.gz QLFOLIXAZGHBOP-UHFFFAOYSA-N 1 2 537.671 7.351 1 0 KKAFLO C[C@H](CN1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045227661 562659441 /nfs/dbraw/zinc/65/94/41/562659441.db2.gz ZOXQYQOWAXKIKN-LJQANCHMSA-N 1 2 521.587 5.738 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(c5cccc(F)c5)C4=O)cc3F)c2cc1OC ZINC000045283849 562660073 /nfs/dbraw/zinc/66/00/73/562660073.db2.gz RPWBDLXYCZXFDI-UHFFFAOYSA-N 1 2 520.492 5.797 1 0 KKAFLO CCCc1[nH+]c2c(cccc2C)n1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)OCC)cc1 ZINC000045316703 562660875 /nfs/dbraw/zinc/66/08/75/562660875.db2.gz JLNDFPWHZBHHAB-HKBQPEDESA-N 1 2 500.639 6.320 1 0 KKAFLO C[C@H](CN1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045322593 562661102 /nfs/dbraw/zinc/66/11/02/562661102.db2.gz QFNWXBCCKJYIFU-LJQANCHMSA-N 1 2 521.587 5.738 1 0 KKAFLO COC[C@@H]1CCCN1c1[nH+]c2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000045367331 562662086 /nfs/dbraw/zinc/66/20/86/562662086.db2.gz BTGLPNMAFVTVLS-QFIPXVFZSA-N 1 2 505.703 6.452 1 0 KKAFLO COc1cc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N)n2)cc(OC)c1OC ZINC000045496508 562662676 /nfs/dbraw/zinc/66/26/76/562662676.db2.gz ZYTMHYYXWRHOJM-UHFFFAOYSA-N 1 2 513.985 6.364 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C ZINC000049087971 562664302 /nfs/dbraw/zinc/66/43/02/562664302.db2.gz KVNUNQVIQXLHFU-MUUNZHRXSA-N 1 2 505.952 5.809 1 0 in-vitro KKAFLO C[C@H](O)CNc1nc(-n2ccnc2-c2cccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000049089163 562664395 /nfs/dbraw/zinc/66/43/95/562664395.db2.gz IYTMFGZUURLRKD-AWEZNQCLSA-N 1 2 516.911 5.047 1 0 KKAFLO Cc1c(Cl)cccc1-c1cc(=O)n(C)c2ccc([C@](O)(c3c[nH+]cn3C)c3ccc(Cl)cc3)cc12 ZINC000049125188 562664719 /nfs/dbraw/zinc/66/47/19/562664719.db2.gz WXGAEOKBYIMZFF-NDEPHWFRSA-N 1 2 504.417 5.838 1 0 KKAFLO C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000049669637 562668137 /nfs/dbraw/zinc/66/81/37/562668137.db2.gz AOIWJAFRJNGOTJ-LJAQVGFWSA-N 1 2 678.787 9.027 1 0 KKAFLO FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)c4)s3)[nH]c2c1 ZINC000049745178 562673706 /nfs/dbraw/zinc/67/37/06/562673706.db2.gz OCSLRAQVINBTOG-UHFFFAOYSA-N 1 2 530.579 6.848 1 0 KKAFLO COc1cc(CNC(=O)C[C@H](C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756741 562675198 /nfs/dbraw/zinc/67/51/98/562675198.db2.gz QEMGEAVSFHMSAA-JPQMRUPTSA-N 1 2 594.152 5.332 1 0 KKAFLO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756738 562675223 /nfs/dbraw/zinc/67/52/23/562675223.db2.gz QEMGEAVSFHMSAA-HEIROHQZSA-N 1 2 594.152 5.332 1 0 KKAFLO O=C(Nc1ccccc1)N(c1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H](CN(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1 ZINC000049776333 562679362 /nfs/dbraw/zinc/67/93/62/562679362.db2.gz VIGDRXGMJIQJQK-PDDLMNHVSA-N 1 2 708.514 7.657 1 0 KKAFLO CCn1c[nH+]cc1[C@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cc3ccccc3)c1)cc(=O)n2C ZINC000049784085 562683437 /nfs/dbraw/zinc/68/34/37/562683437.db2.gz FVKPCLGFXYXAQY-BHVANESWSA-N 1 2 574.124 7.604 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cc(F)ccc4Br)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049833478 562687816 /nfs/dbraw/zinc/68/78/16/562687816.db2.gz CSKPWQGLDMUAIU-AYWVHJORSA-N 1 2 717.463 6.890 1 0 KKAFLO C[C@H](CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000053295706 562697335 /nfs/dbraw/zinc/69/73/35/562697335.db2.gz QEIVLZWJFZSSID-RQFXENQPSA-N 1 2 576.866 6.251 1 0 KKAFLO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)c(C)cn6C)c4)CC3)CC2)CC1 ZINC000058548537 562699124 /nfs/dbraw/zinc/69/91/24/562699124.db2.gz AMEKOLQDUVWTCP-UHFFFAOYSA-N 1 2 646.836 5.223 1 0 KKAFLO COc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4C)cc3)CC2)cc1 ZINC000058593993 562700722 /nfs/dbraw/zinc/70/07/22/562700722.db2.gz QPWNDQZWQHMQEY-UHFFFAOYSA-N 1 2 571.725 6.186 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)c(C)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059186021 562701873 /nfs/dbraw/zinc/70/18/73/562701873.db2.gz SMVYUVVBZSDULV-SSEXGKCCSA-N 1 2 610.784 5.445 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)c(C)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059186021 562701874 /nfs/dbraw/zinc/70/18/74/562701874.db2.gz SMVYUVVBZSDULV-SSEXGKCCSA-N 1 2 610.784 5.445 1 0 KKAFLO Cc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3cc(C)c(C)cc3Cl)cc2)C2CC2)c1C ZINC000059585363 562702065 /nfs/dbraw/zinc/70/20/65/562702065.db2.gz LHFGKDVPSAPJDC-SSEXGKCCSA-N 1 2 576.137 5.527 1 0 KKAFLO COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Br)cc(C)c5o4)cc3)c3c2nc[nH+]c3N)CC1 ZINC000063540205 562704518 /nfs/dbraw/zinc/70/45/18/562704518.db2.gz LDGFTLHOBZCPLF-UHFFFAOYSA-N 1 2 592.498 6.178 1 0 KKAFLO O=C1C(Cl)=C(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000064480328 562705850 /nfs/dbraw/zinc/70/58/50/562705850.db2.gz NJVJKEMCJNLWPG-XMMPIXPASA-N 1 2 561.296 6.378 1 0 KKAFLO Cc1ccc(Nc2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(NC3CCCCC3)n2)cc1 ZINC000066066201 562709354 /nfs/dbraw/zinc/70/93/54/562709354.db2.gz HVUBGQAEWZQGPA-UHFFFAOYSA-N 1 2 551.098 8.357 1 0 KKAFLO Cc1ccccc1Nc1nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)nc(NC2CCCCC2)n1 ZINC000066073881 562709634 /nfs/dbraw/zinc/70/96/34/562709634.db2.gz SHGYSMADJXEWHY-UHFFFAOYSA-N 1 2 551.098 8.357 1 0 KKAFLO Fc1ccc2nc(NCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)nc(NCc3ccco3)c2c1 ZINC000066076332 562710118 /nfs/dbraw/zinc/71/01/18/562710118.db2.gz OBUOFLYFXMPDJI-UHFFFAOYSA-N 1 2 515.420 5.515 1 0 KKAFLO COc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)Nc4cc(-n5c[nH+]c(C)c5)cc(C(F)(F)F)c4)cc3C)c2N)cc1 ZINC000066077833 562710321 /nfs/dbraw/zinc/71/03/21/562710321.db2.gz GBULJTBAZAWJQI-UHFFFAOYSA-N 1 2 618.620 6.240 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(NC(=O)NCc2ccc(Cl)cc2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000066103453 562711552 /nfs/dbraw/zinc/71/15/52/562711552.db2.gz YHOYXHWFJKRWGY-UHFFFAOYSA-N 1 2 568.480 5.569 1 0 KKAFLO O=S(=O)(c1ccccc1)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000066252496 562714752 /nfs/dbraw/zinc/71/47/52/562714752.db2.gz VGDMTLADDKVPNB-UHFFFAOYSA-N 1 2 527.568 5.305 1 0 KKAFLO Brc1ccc(-c2[nH+]c3ccc(-c4nc(-c5ccc(Oc6ccccc6)cc5)c[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066259811 562715330 /nfs/dbraw/zinc/71/53/30/562715330.db2.gz NSPVPTOXCFHYKN-UHFFFAOYSA-N 1 2 598.504 9.357 1 0 KKAFLO CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000068078926 562715754 /nfs/dbraw/zinc/71/57/54/562715754.db2.gz MVGHTOGJZPPSRC-MPQUPPDSSA-N 1 2 703.677 9.273 1 0 KKAFLO CCC[N@@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000071294855 562717055 /nfs/dbraw/zinc/71/70/55/562717055.db2.gz WPGJWLRFTVNJMY-BHVANESWSA-N 1 2 530.712 8.246 1 0 KKAFLO CCC[N@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000071294855 562717056 /nfs/dbraw/zinc/71/70/56/562717056.db2.gz WPGJWLRFTVNJMY-BHVANESWSA-N 1 2 530.712 8.246 1 0 KKAFLO O=C(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101895 562720254 /nfs/dbraw/zinc/72/02/54/562720254.db2.gz YGWPNWALTMWPRE-JOCHJYFZSA-N 1 2 508.466 5.498 1 0 KKAFLO O=S(=O)(NC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072103696 562720407 /nfs/dbraw/zinc/72/04/07/562720407.db2.gz FZZDPJKTRXYMFZ-JOCHJYFZSA-N 1 2 544.521 5.047 1 0 KKAFLO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc(Nc2ccc(C(F)(F)F)cc2)c2c([nH+]1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000072115243 562722865 /nfs/dbraw/zinc/72/28/65/562722865.db2.gz QBAAPNYTIXKOSR-JOCHJYFZSA-N 1 2 665.683 7.460 1 0 KKAFLO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1OC(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072121310 562724180 /nfs/dbraw/zinc/72/41/80/562724180.db2.gz PHZUPHKUYCEUDA-CWBDRXANSA-N 1 2 523.599 6.213 3 0 KKAFLO FC(F)(F)Oc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072136235 562727820 /nfs/dbraw/zinc/72/78/20/562727820.db2.gz UXTAYLODUMJYMD-WKMZLRSWSA-N 1 2 534.586 5.040 3 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](CCc1ccccc1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000072136880 562728193 /nfs/dbraw/zinc/72/81/93/562728193.db2.gz IBFMGBXBGSKGGE-MHZLTWQESA-N 1 2 507.642 5.345 3 0 KKAFLO O=C(NC1CC[NH+]([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000072184767 562732928 /nfs/dbraw/zinc/73/29/28/562732928.db2.gz LKMDHUQJLAYUMB-JOCHJYFZSA-N 1 2 510.894 5.411 1 0 KKAFLO O=C(c1ccc(C(c2cccc3cccnc32)=C2CC[NH+](Cc3cscn3)CC2)cc1)N1CCOCC1 ZINC000073199166 562735961 /nfs/dbraw/zinc/73/59/61/562735961.db2.gz HFWSSTSNALJTOM-UHFFFAOYSA-N 1 2 510.663 5.262 1 0 KKAFLO CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082150663 562739843 /nfs/dbraw/zinc/73/98/43/562739843.db2.gz MQPQDOZJBKGKPN-HHHXNRCGSA-N 1 2 691.012 5.160 1 0 KKAFLO O=C(c1ccc(C(c2cccc3cccnc32)=C2CC[NH+](Cc3cscn3)CC2)cc1)N1CCC(O)CC1 ZINC000082154703 562740390 /nfs/dbraw/zinc/74/03/90/562740390.db2.gz BXROQSXLYZDORH-UHFFFAOYSA-N 1 2 524.690 5.386 1 0 KKAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082156310 562740664 /nfs/dbraw/zinc/74/06/64/562740664.db2.gz PWQZBGJWVHZYED-JGCGQSQUSA-N 1 2 606.163 5.011 1 0 KKAFLO COc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000082190203 562742531 /nfs/dbraw/zinc/74/25/31/562742531.db2.gz NJXAMPZWYFRQTL-UHFFFAOYSA-N 1 2 646.515 6.830 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@@]4(F)CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654114 562747158 /nfs/dbraw/zinc/74/71/58/562747158.db2.gz WLDCXGNTAXVYLK-NDEPHWFRSA-N 1 2 519.504 5.267 1 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3cccc(-n4ccc5c4ccnc5NC(=O)c4ccccc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084655278 562747458 /nfs/dbraw/zinc/74/74/58/562747458.db2.gz YEOGKHZRTFBASG-UHFFFAOYSA-N 1 2 580.570 7.043 1 0 KKAFLO COc1c(C(C)(C)C)cc(C[NH+]2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000084668475 562747626 /nfs/dbraw/zinc/74/76/26/562747626.db2.gz WFWWRMLXRXPPQR-UHFFFAOYSA-N 1 2 604.826 8.605 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CC[C@H](Cc5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084756821 562752298 /nfs/dbraw/zinc/75/22/98/562752298.db2.gz XNEDFTVHEMGHBT-LJQANCHMSA-N 1 2 515.541 5.807 1 0 KKAFLO COCCN(C(=O)c1sccc1Cl)[C@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884064 562753086 /nfs/dbraw/zinc/75/30/86/562753086.db2.gz VYQHDBXDUIVOEH-UIOOFZCWSA-N 1 2 508.087 5.449 1 0 KKAFLO Nc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(Cl)c(-c2ccccc2N2CCOCC2)c1 ZINC000085679205 562753354 /nfs/dbraw/zinc/75/33/54/562753354.db2.gz PZECVJVBWOOQCF-UHFFFAOYSA-N 1 2 550.106 6.950 1 0 KKAFLO CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000095541706 562756313 /nfs/dbraw/zinc/75/63/13/562756313.db2.gz KOOYIHJHNJDLEE-BHVANESWSA-N 1 2 753.878 5.266 1 0 KKAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3cc(Cl)c(Cl)c(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095548345 562759307 /nfs/dbraw/zinc/75/93/07/562759307.db2.gz QWXPUMULWMMLKL-HBWBRTLKSA-N 1 2 824.128 5.218 1 0 KKAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3cc(Cl)c(Cl)c(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095548345 562759308 /nfs/dbraw/zinc/75/93/08/562759308.db2.gz QWXPUMULWMMLKL-HBWBRTLKSA-N 1 2 824.128 5.218 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000095551641 562760382 /nfs/dbraw/zinc/76/03/82/562760382.db2.gz ZSNBYQQLJAZHBE-JHOUSYSJSA-N 1 2 778.752 6.141 1 0 KKAFLO CCCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(NCc2csc(-c3cccs3)n2)[nH+]1 ZINC000095552571 562760721 /nfs/dbraw/zinc/76/07/21/562760721.db2.gz DQYFCUXEUPMHRJ-HXUWFJFHSA-N 1 2 652.794 5.847 1 0 KKAFLO CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000095552571 562760722 /nfs/dbraw/zinc/76/07/22/562760722.db2.gz DQYFCUXEUPMHRJ-HXUWFJFHSA-N 1 2 652.794 5.847 1 0 KKAFLO CCCCNc1nc(NCc2csc(-c3cccs3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000095552571 562760723 /nfs/dbraw/zinc/76/07/23/562760723.db2.gz DQYFCUXEUPMHRJ-HXUWFJFHSA-N 1 2 652.794 5.847 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccco4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095552964 562760795 /nfs/dbraw/zinc/76/07/95/562760795.db2.gz QHQGXRZZEDTTTN-AREMUKBSSA-N 1 2 584.698 5.217 1 0 KKAFLO C[C@H](CCCN1C=[NH+]N(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000095556304 562761701 /nfs/dbraw/zinc/76/17/01/562761701.db2.gz OLDUYSAPUVVQAL-NSAKODIFSA-N 1 2 636.876 7.428 1 0 KKAFLO CCCOc1nc2ccccc2cc1-c1cc2nc(OCCC)c(-c3cc4[nH+]c(N5CCOCC5)ccc4c(C(C)C)c3)cc2c(C(C)C)c1 ZINC000095556235 562761715 /nfs/dbraw/zinc/76/17/15/562761715.db2.gz MMYHKCKKEJUSEO-UHFFFAOYSA-N 1 2 668.882 10.326 1 0 KKAFLO C[C@H](CCCN1C=[NH+]N(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000095556305 562761739 /nfs/dbraw/zinc/76/17/39/562761739.db2.gz OLDUYSAPUVVQAL-ZJZZGYAGSA-N 1 2 636.876 7.428 1 0 KKAFLO c1ccc(C[NH+](Cc2ccccc2)[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)cc1 ZINC000095570734 562768443 /nfs/dbraw/zinc/76/84/43/562768443.db2.gz SEELQFMPORHBDW-YTTGMZPUSA-N 1 2 540.627 5.774 3 0 KKAFLO Cc1[nH+]c2ccccc2n1CC(=O)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000095576314 562770575 /nfs/dbraw/zinc/77/05/75/562770575.db2.gz QGBXSUVTQOBSQO-PMERELPUSA-N 1 2 512.629 6.016 1 0 KKAFLO CC(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1 ZINC000095579760 562771684 /nfs/dbraw/zinc/77/16/84/562771684.db2.gz WFDHLKUQFQCHKF-UHFFFAOYSA-N 1 2 571.616 5.759 1 0 in-vitro KKAFLO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095590144 562775177 /nfs/dbraw/zinc/77/51/77/562775177.db2.gz HEOIVHKOOVXPFF-UHFFFAOYSA-N 1 2 547.490 5.096 1 0 KKAFLO COc1cc2[nH+]c(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095591249 562775551 /nfs/dbraw/zinc/77/55/51/562775551.db2.gz MALQSTLACRSJTA-AYHJJNSGSA-N 1 2 601.701 5.276 1 0 KKAFLO COc1cc2[nH+]c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095591249 562775552 /nfs/dbraw/zinc/77/55/52/562775552.db2.gz MALQSTLACRSJTA-AYHJJNSGSA-N 1 2 601.701 5.276 1 0 KKAFLO O=C(C1CC1)N1CCC[C@@H](Nc2nc(-n3c4ccc(O)cc4nc3-c3ccc4ccccc4c3)cc[nH+]2)C1 ZINC000095591267 562775578 /nfs/dbraw/zinc/77/55/78/562775578.db2.gz NONWPZRMZADEMH-HSZRJFAPSA-N 1 2 504.594 5.154 1 0 KKAFLO CCCCOc1ccc2c3ccnc(C)c3n(CCCCn3c4cc(OCCCC)ccc4c4cc[nH+]c(C)c43)c2c1 ZINC000095596563 562777025 /nfs/dbraw/zinc/77/70/25/562777025.db2.gz VGCSGNHXHJWTQG-UHFFFAOYSA-N 1 2 562.758 9.147 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599842 562778372 /nfs/dbraw/zinc/77/83/72/562778372.db2.gz LGFCYAUQAJYOOY-GTEDWBNGSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599842 562778373 /nfs/dbraw/zinc/77/83/73/562778373.db2.gz LGFCYAUQAJYOOY-GTEDWBNGSA-N 1 2 711.869 6.495 1 0 KKAFLO O=C(Nc1cccc(OC(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095601368 562779581 /nfs/dbraw/zinc/77/95/81/562779581.db2.gz XFHVFKZZHLVCOZ-UHFFFAOYSA-N 1 2 527.587 5.974 1 0 KKAFLO O=C(Nc1cccc(C(=O)OCCCC(F)(F)C(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095603203 562780399 /nfs/dbraw/zinc/78/03/99/562780399.db2.gz NBMYDFZOWOQBQJ-UHFFFAOYSA-N 1 2 647.685 7.210 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000095696498 562788504 /nfs/dbraw/zinc/78/85/04/562788504.db2.gz UCKXYPLEJSZYDX-UHFFFAOYSA-N 1 2 587.067 7.223 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095751624 562788825 /nfs/dbraw/zinc/78/88/25/562788825.db2.gz VIOGDUQZNOFWDO-CBKFLQRHSA-N 1 2 712.762 6.783 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095751624 562788826 /nfs/dbraw/zinc/78/88/26/562788826.db2.gz VIOGDUQZNOFWDO-CBKFLQRHSA-N 1 2 712.762 6.783 1 0 KKAFLO CS(=O)(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258250 562792811 /nfs/dbraw/zinc/79/28/11/562792811.db2.gz FBYLWVFZBOAEKD-UHFFFAOYSA-N 1 2 578.760 5.088 1 0 KKAFLO Cc1cc(Cn2cc[nH+]c2[C@@H](Cc2cc3c[nH]nc3c(C)c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc(Cl)n1 ZINC000096284744 562795337 /nfs/dbraw/zinc/79/53/37/562795337.db2.gz VPVMAWOPPJSTCZ-GDLZYMKVSA-N 1 2 638.176 5.978 1 0 KKAFLO C[C@H](Sc1cc(-c2ccc(C(=O)N3CC[NH+](C)CC3)c(F)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285920 562795933 /nfs/dbraw/zinc/79/59/33/562795933.db2.gz FGURHPQRVNDCDB-AWEZNQCLSA-N 1 2 537.463 6.157 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OC[N@@H+](CCc1ccc(O)cc1)C3 ZINC000096906232 562798736 /nfs/dbraw/zinc/79/87/36/562798736.db2.gz VFISXNLCGJWOBC-AINUZZEPSA-N 1 2 557.819 9.378 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OC[N@H+](CCc1ccc(O)cc1)C3 ZINC000096906232 562798737 /nfs/dbraw/zinc/79/87/37/562798737.db2.gz VFISXNLCGJWOBC-AINUZZEPSA-N 1 2 557.819 9.378 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OS(=O)(=O)c4ccc(C)cc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913917 562800568 /nfs/dbraw/zinc/80/05/68/562800568.db2.gz ONPXTVOELALULH-SSEXGKCCSA-N 1 2 630.763 5.247 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OS(=O)(=O)c4ccc(C)cc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913917 562800569 /nfs/dbraw/zinc/80/05/69/562800569.db2.gz ONPXTVOELALULH-SSEXGKCCSA-N 1 2 630.763 5.247 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCCC(C)C)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913963 562800619 /nfs/dbraw/zinc/80/06/19/562800619.db2.gz JMBZVDAZMNRCQF-NDEPHWFRSA-N 1 2 546.708 5.596 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCCC(C)C)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913963 562800620 /nfs/dbraw/zinc/80/06/20/562800620.db2.gz JMBZVDAZMNRCQF-NDEPHWFRSA-N 1 2 546.708 5.596 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCCCCOc4ccccc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913948 562800622 /nfs/dbraw/zinc/80/06/22/562800622.db2.gz KWAVIJKYXAWCLV-MGBGTMOVSA-N 1 2 624.778 6.409 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCCCCOc4ccccc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913948 562800623 /nfs/dbraw/zinc/80/06/23/562800623.db2.gz KWAVIJKYXAWCLV-MGBGTMOVSA-N 1 2 624.778 6.409 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCC(F)(F)F)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913957 562800629 /nfs/dbraw/zinc/80/06/29/562800629.db2.gz YYTDLVBZAMHPRK-DEOSSOPVSA-N 1 2 558.597 5.112 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCC(F)(F)F)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913957 562800630 /nfs/dbraw/zinc/80/06/30/562800630.db2.gz YYTDLVBZAMHPRK-DEOSSOPVSA-N 1 2 558.597 5.112 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCCC(C)C)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913962 562800665 /nfs/dbraw/zinc/80/06/65/562800665.db2.gz JMBZVDAZMNRCQF-MUUNZHRXSA-N 1 2 546.708 5.596 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCCC(C)C)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913962 562800666 /nfs/dbraw/zinc/80/06/66/562800666.db2.gz JMBZVDAZMNRCQF-MUUNZHRXSA-N 1 2 546.708 5.596 1 0 KKAFLO CC(=O)N1N=C(c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000096921910 562801592 /nfs/dbraw/zinc/80/15/92/562801592.db2.gz MUASTJORUMUBOP-SANMLTNESA-N 1 2 519.830 7.092 1 0 KKAFLO CC(=O)N1CC[NH+](Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1 ZINC000096937292 562804167 /nfs/dbraw/zinc/80/41/67/562804167.db2.gz IOWFCZSAGHCMTJ-UHFFFAOYSA-N 1 2 586.067 6.669 1 0 KKAFLO CC(C)(C)c1ccc(O)c([C@]2(c3ccccc3)C(=O)Nc3ccc(-c4ccc(N5CCOCC5)[nH+]c4)cc32)c1 ZINC000096937477 562804254 /nfs/dbraw/zinc/80/42/54/562804254.db2.gz FKSQPBXCIRHKQS-MGBGTMOVSA-N 1 2 519.645 5.875 1 0 KKAFLO Nc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(Cl)c(-c2ccccc2N2CCCCC2)c1 ZINC000096940285 562804943 /nfs/dbraw/zinc/80/49/43/562804943.db2.gz JUAKXGKVHWCEMI-UHFFFAOYSA-N 1 2 548.134 8.103 1 0 KKAFLO COc1ccc(C2=[NH+][C@H](c3ccc(C(F)(F)F)cc3F)C(C(=O)Nc3ccc4n[nH]cc4c3)=C(C)N2)cc1 ZINC000100410966 562806933 /nfs/dbraw/zinc/80/69/33/562806933.db2.gz UDGVPGNQAALWQS-XMMPIXPASA-N 1 2 523.490 5.733 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Cl)cc2Cl)nc(NC[NH+]2CCCCC2)n1 ZINC000103170088 562814760 /nfs/dbraw/zinc/81/47/60/562814760.db2.gz WWDRGGAQQQUZTP-UHFFFAOYSA-N 1 2 560.279 6.842 1 0 KKAFLO O=C(Nc1cccc(CNc2[nH+]cnc3c2cnn3CCc2ccccc2)c1)c1ccc(Br)cc1 ZINC000103253414 562820528 /nfs/dbraw/zinc/82/05/28/562820528.db2.gz KEFIPKHDSKXZAY-UHFFFAOYSA-N 1 2 527.426 5.696 1 0 KKAFLO CCOc1ccccc1C1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[NH2+]1 ZINC000103255253 562820729 /nfs/dbraw/zinc/82/07/29/562820729.db2.gz ZPDOKJLMEDEGBM-AHKZPQOWSA-N 1 2 524.448 5.833 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cccn3n2)cc1 ZINC000103261546 562821444 /nfs/dbraw/zinc/82/14/44/562821444.db2.gz PSKRLPUKFCSZPF-UHFFFAOYSA-N 1 2 518.621 5.533 1 0 KKAFLO Cc1cc(-c2cccc(Oc3ccc4c(c3)c(=O)ncn4Cc3c(F)cc(F)cc3F)c2C(F)(F)F)c[nH+]c1N ZINC000103263179 562821709 /nfs/dbraw/zinc/82/17/09/562821709.db2.gz BRVXDJKZKSPOFB-UHFFFAOYSA-N 1 2 556.466 6.626 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267524 562822442 /nfs/dbraw/zinc/82/24/42/562822442.db2.gz KNWXDUNKBINOJC-UHFFFAOYSA-N 1 2 590.650 6.402 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc(NCCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103277778 562823322 /nfs/dbraw/zinc/82/33/22/562823322.db2.gz GSBMKWHUKWHKQB-MUUNZHRXSA-N 1 2 582.195 5.807 1 0 KKAFLO C[N@@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114037604 562827277 /nfs/dbraw/zinc/82/72/77/562827277.db2.gz DYGYGRPOZXQEEJ-HXUWFJFHSA-N 1 2 536.463 6.714 1 0 KKAFLO C[N@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114037604 562827278 /nfs/dbraw/zinc/82/72/78/562827278.db2.gz DYGYGRPOZXQEEJ-HXUWFJFHSA-N 1 2 536.463 6.714 1 0 KKAFLO O=S(=O)(Nc1ccccc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccnc1 ZINC000114983391 562828685 /nfs/dbraw/zinc/82/86/85/562828685.db2.gz LQLQYWVDPJUALB-GDLZYMKVSA-N 1 2 546.092 6.637 1 0 KKAFLO CCC(=O)Nc1ccc(N(C(=O)Cn2c(C)[nH+]c3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140324894 562833038 /nfs/dbraw/zinc/83/30/38/562833038.db2.gz BSSWUQMZIVUQCA-MHZLTWQESA-N 1 2 531.682 5.444 1 0 KKAFLO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147818115 562839698 /nfs/dbraw/zinc/83/96/98/562839698.db2.gz DZEQBPTXICASFA-FUHWJXTLSA-N 1 2 517.605 5.411 1 0 KKAFLO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147818115 562839699 /nfs/dbraw/zinc/83/96/99/562839699.db2.gz DZEQBPTXICASFA-FUHWJXTLSA-N 1 2 517.605 5.411 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CCC(F)(F)C6)nc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000148305687 562840932 /nfs/dbraw/zinc/84/09/32/562840932.db2.gz NSKMUQGOPDSSPX-UHFFFAOYSA-N 1 2 609.563 6.082 1 0 KKAFLO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)c(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148343181 562841089 /nfs/dbraw/zinc/84/10/89/562841089.db2.gz KNBHYSNNPRWRHR-UHFFFAOYSA-N 1 2 627.071 5.829 1 0 KKAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2cnccc2s1)C[C@H](O)CN1CC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]1C(=O)NCC(F)(F)F ZINC000150363939 562843346 /nfs/dbraw/zinc/84/33/46/562843346.db2.gz QCDSMEFLKXHFKV-RTSAQHOVSA-N 1 2 862.919 5.824 1 0 KKAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2cnccc2s1)C[C@H](O)CN1CC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]1C(=O)NCC(F)(F)F ZINC000150363939 562843347 /nfs/dbraw/zinc/84/33/47/562843347.db2.gz QCDSMEFLKXHFKV-RTSAQHOVSA-N 1 2 862.919 5.824 1 0 KKAFLO O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)o1 ZINC000150587896 562845938 /nfs/dbraw/zinc/84/59/38/562845938.db2.gz MXRJOIUHKRRDJE-UMSFTDKQSA-N 1 2 753.244 8.085 1 0 KKAFLO CN(C)c1nc(NC[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000168767911 562851536 /nfs/dbraw/zinc/85/15/36/562851536.db2.gz NWUCPBLQECHRFK-QAQDUYKDSA-N 1 2 616.504 5.554 1 0 in-vivo KKAFLO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000169298908 562852743 /nfs/dbraw/zinc/85/27/43/562852743.db2.gz QJBPHQZAFKFRKI-XTEPFMGCSA-N 1 2 514.651 5.464 1 0 KKAFLO Nc1[nH+]ccc(Oc2ccc(NC(=O)[C@@]3(Cl)CCCN(c4ccc(F)cc4)C3=O)cc2F)c1Cl ZINC000169333346 562859296 /nfs/dbraw/zinc/85/92/96/562859296.db2.gz NMUOJDWOISQZJO-QHCPKHFHSA-N 1 2 507.324 5.131 1 0 KKAFLO COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc1 ZINC000169339723 562860458 /nfs/dbraw/zinc/86/04/58/562860458.db2.gz ZIXQMKJJFGXLGE-WJOKGBTCSA-N 1 2 599.782 5.470 1 0 KKAFLO COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339730 562860509 /nfs/dbraw/zinc/86/05/09/562860509.db2.gz RSHUKIXSTVOUEV-PMERELPUSA-N 1 2 659.834 5.487 1 0 KKAFLO CCCCCCOc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000169349174 562862457 /nfs/dbraw/zinc/86/24/57/562862457.db2.gz GXIHSGIDZJWTEP-GDLZYMKVSA-N 1 2 560.735 6.130 1 0 KKAFLO CCCCCCOc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000169349174 562862458 /nfs/dbraw/zinc/86/24/58/562862458.db2.gz GXIHSGIDZJWTEP-GDLZYMKVSA-N 1 2 560.735 6.130 1 0 KKAFLO CC[NH+](CC)c1ccc(Cc2c(Cc3ccc(OC)c(OC)c3)nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2C)cc1 ZINC000169350618 562862870 /nfs/dbraw/zinc/86/28/70/562862870.db2.gz BOQHMDZKZCCXDM-UHFFFAOYSA-N 1 2 602.732 5.743 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NC3(c4ccc(F)cc4)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700903 562867776 /nfs/dbraw/zinc/86/77/76/562867776.db2.gz WKGCBXPNRGGEQF-UHFFFAOYSA-N 1 2 687.594 7.690 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(N3CC[C@@H](F)C3)c(F)c21 ZINC000169701026 562867875 /nfs/dbraw/zinc/86/78/75/562867875.db2.gz MLHMFFFSOXCAQN-GOSISDBHSA-N 1 2 697.536 8.244 1 0 KKAFLO CN(CC(F)F)c1cc2c(cc1C(=O)Nc1ccc(OC(F)(F)F)cc1)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169701018 562867879 /nfs/dbraw/zinc/86/78/79/562867879.db2.gz LJDZGGMVMICTKZ-UHFFFAOYSA-N 1 2 701.524 8.138 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)CC3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701021 562867898 /nfs/dbraw/zinc/86/78/98/562867898.db2.gz VBWLKINPARVGLN-UHFFFAOYSA-N 1 2 731.525 8.374 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NC[C@H]3CCCO3)c(OCC(F)F)cc21 ZINC000169703091 562868583 /nfs/dbraw/zinc/86/85/83/562868583.db2.gz TVXHMXGONROKCX-MRXNPFEDSA-N 1 2 612.505 5.839 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NC3CCC(F)(F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703132 562868653 /nfs/dbraw/zinc/86/86/53/562868653.db2.gz YIIBOPVEDFQYCV-UHFFFAOYSA-N 1 2 646.513 7.238 1 0 KKAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1 ZINC000199986501 562873210 /nfs/dbraw/zinc/87/32/10/562873210.db2.gz PQOQZJVAYFBTGQ-RUZDIDTESA-N 1 2 512.635 5.219 1 0 KKAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1 ZINC000199986501 562873211 /nfs/dbraw/zinc/87/32/11/562873211.db2.gz PQOQZJVAYFBTGQ-RUZDIDTESA-N 1 2 512.635 5.219 1 0 KKAFLO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(Cn5cc[nH+]c5)cc4)c3c2)cc(Cl)c1O ZINC000203988768 562874283 /nfs/dbraw/zinc/87/42/83/562874283.db2.gz HFIRJBLPXDARCG-UHFFFAOYSA-N 1 2 525.008 6.851 1 0 KKAFLO O=C(c1cnc2cc(F)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000203989544 562874315 /nfs/dbraw/zinc/87/43/15/562874315.db2.gz UEKHQJCIOOAHBZ-UHFFFAOYSA-N 1 2 552.437 6.194 1 0 KKAFLO O=C(N[C@@H]1CCc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1)c1cc(-c2c[nH]c[nH+]2)cc(C(F)(F)F)c1 ZINC000205014000 562874729 /nfs/dbraw/zinc/87/47/29/562874729.db2.gz AZGJHEXVDFPTCF-OAQYLSRUSA-N 1 2 547.537 5.455 1 0 KKAFLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206762350 562876500 /nfs/dbraw/zinc/87/65/00/562876500.db2.gz ATHFTUKMLNNXAQ-UHFFFAOYSA-N 1 2 550.055 6.872 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)N[C@@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000207906352 562876806 /nfs/dbraw/zinc/87/68/06/562876806.db2.gz VWNGTTNKRUNTFF-LJAQVGFWSA-N 1 2 571.685 5.656 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2ccnn2C2C[NH2+]C2)c1 ZINC000215496102 562877387 /nfs/dbraw/zinc/87/73/87/562877387.db2.gz BTDLMYTUSZMXGI-UHFFFAOYSA-N 1 2 555.607 5.791 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c1 ZINC000225087281 562880702 /nfs/dbraw/zinc/88/07/02/562880702.db2.gz HUOCOMBTJARILO-UHFFFAOYSA-N 1 2 515.582 6.160 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc3nc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299834060 562886398 /nfs/dbraw/zinc/88/63/98/562886398.db2.gz BAZSGUUPMOBQTI-UHFFFAOYSA-N 1 2 603.605 6.055 1 0 KKAFLO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@H](c2ccc(Cl)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000299836160 562887013 /nfs/dbraw/zinc/88/70/13/562887013.db2.gz MTAAFNJDLQWXSE-QLCOJLISSA-N 1 2 611.949 5.038 1 0 KKAFLO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000299836160 562887014 /nfs/dbraw/zinc/88/70/14/562887014.db2.gz MTAAFNJDLQWXSE-QLCOJLISSA-N 1 2 611.949 5.038 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2Cc2cccc(NC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c2)cc[nH+]1 ZINC000299838218 562887814 /nfs/dbraw/zinc/88/78/14/562887814.db2.gz MJPABCZQCTUXQJ-FQEVSTJZSA-N 1 2 587.511 6.123 1 0 KKAFLO C[C@@H](Cn1ncc2c1nc(SCC[NH+]1CCOCC1)nc2Nc1cccc(Cl)c1)c1ccccc1 ZINC000299872062 562895823 /nfs/dbraw/zinc/89/58/23/562895823.db2.gz ZVBOQDFXWNGDLX-IBGZPJMESA-N 1 2 509.079 5.451 1 0 KKAFLO C[C@H](Cn1ncc2c1nc(SCC[NH+]1CCOCC1)nc2Nc1cccc(Cl)c1)c1ccccc1 ZINC000299872063 562895850 /nfs/dbraw/zinc/89/58/50/562895850.db2.gz ZVBOQDFXWNGDLX-LJQANCHMSA-N 1 2 509.079 5.451 1 0 KKAFLO c1ccc(N=c2ccn(CCCCCCCCCC[N@@H+]3C=CC(=Nc4ccccc4)c4ccccc43)c3ccccc32)cc1 ZINC000377825258 562896233 /nfs/dbraw/zinc/89/62/33/562896233.db2.gz GRHAIWNRCIOJSD-UHFFFAOYSA-N 1 2 578.804 9.882 1 0 KKAFLO c1ccc(N=c2ccn(CCCCCCCCCC[N@H+]3C=CC(=Nc4ccccc4)c4ccccc43)c3ccccc32)cc1 ZINC000377825258 562896234 /nfs/dbraw/zinc/89/62/34/562896234.db2.gz GRHAIWNRCIOJSD-UHFFFAOYSA-N 1 2 578.804 9.882 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4c(cnnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473088552 562897325 /nfs/dbraw/zinc/89/73/25/562897325.db2.gz IRHHBHXACQPKJF-UHFFFAOYSA-N 1 2 618.134 6.348 1 0 KKAFLO COc1cc(-c2cn([C@@H]3CC[C@@H]4CCCC[C@H]4N(Cc4ccccc4)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000473106441 562898270 /nfs/dbraw/zinc/89/82/70/562898270.db2.gz XGXFNNLJOOPIOL-DANFDKMISA-N 1 2 510.642 5.370 1 0 KKAFLO COc1cc([C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@]23N=C(c2ccccc2)OC3=O)cc(OC)c1OC ZINC000473107604 562898364 /nfs/dbraw/zinc/89/83/64/562898364.db2.gz JMNAHOMPIDECCB-GJYLGELKSA-N 1 2 629.713 5.459 1 0 KKAFLO COc1cc([C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@]23N=C(c2ccccc2)OC3=O)cc(OC)c1OC ZINC000473107604 562898365 /nfs/dbraw/zinc/89/83/65/562898365.db2.gz JMNAHOMPIDECCB-GJYLGELKSA-N 1 2 629.713 5.459 1 0 KKAFLO COCO[C@H](C)[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000473112070 562898661 /nfs/dbraw/zinc/89/86/61/562898661.db2.gz CTKOLDQWZIXZAE-AJKFSELOSA-N 1 2 724.936 6.219 1 0 KKAFLO CC(C)C(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000473194814 562903660 /nfs/dbraw/zinc/90/36/60/562903660.db2.gz QZTXNSSAKJQZGD-QGZVFWFLSA-N 1 2 551.478 5.636 1 0 KKAFLO Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(OCC[NH+]3CCOCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653686453 562906490 /nfs/dbraw/zinc/90/64/90/562906490.db2.gz ILJPMSMIWVQVPA-UHFFFAOYSA-N 1 2 589.692 6.179 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(C(=O)NCC[NH+]4CCOCC4)c3)c3ccccc23)cc1 ZINC000653723254 562908866 /nfs/dbraw/zinc/90/88/66/562908866.db2.gz HNTBYCLQOJUQFT-UHFFFAOYSA-N 1 2 661.807 6.311 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCN(Cc7[nH+]ccn7C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653752931 562910772 /nfs/dbraw/zinc/91/07/72/562910772.db2.gz NFGYIAPTXBUDBP-DEOSSOPVSA-N 1 2 599.743 6.192 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 ZINC000653755897 562910966 /nfs/dbraw/zinc/91/09/66/562910966.db2.gz CYLYUXCOVSTOPH-SANMLTNESA-N 1 2 523.000 5.068 1 0 KKAFLO CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=[NH+]1 ZINC000653757859 562911098 /nfs/dbraw/zinc/91/10/98/562911098.db2.gz PAWZSKWZBCJWTL-VWLOTQADSA-N 1 2 587.869 5.522 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C(C)C)[NH+]=C3N=CNN3[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 ZINC000653757834 562911124 /nfs/dbraw/zinc/91/11/24/562911124.db2.gz OEINQNVWNIBDKU-MUUNZHRXSA-N 1 2 551.054 5.704 1 0 KKAFLO Cc1cccc(COc2ccccc2C[NH+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccc2OCc2cccc(C)c2)c1 ZINC000653761931 562911380 /nfs/dbraw/zinc/91/13/80/562911380.db2.gz YGKNVAAMULVFNN-HKBQPEDESA-N 1 2 538.688 6.266 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653773222 562911865 /nfs/dbraw/zinc/91/18/65/562911865.db2.gz BUXKFYFTEUSIDH-UHFFFAOYSA-N 1 2 614.710 5.717 1 0 KKAFLO COc1ccc(Cn2c3ccsc3c(COCc3ccccc3)c2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000653796431 562913123 /nfs/dbraw/zinc/91/31/23/562913123.db2.gz SHIBKXWPTLNPIK-UHFFFAOYSA-N 1 2 565.739 6.435 1 0 KKAFLO O=C(Nc1ccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000653826069 562914418 /nfs/dbraw/zinc/91/44/18/562914418.db2.gz GAFAXZNVNFWGCF-UHFFFAOYSA-N 1 2 556.450 6.102 1 0 KKAFLO C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@@H](c2cc(N)[nH+]cc2CC(=O)N2CC[C@@H]2CCC(C)C)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594651 565152023 /nfs/dbraw/zinc/15/20/23/565152023.db2.gz LYQJWQRZXSJRFR-PYFTZPEOSA-N 1 2 625.766 6.035 1 0 biogenic,in-vitro KKAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(NCC)[nH+]c1 ZINC000085595202 565152957 /nfs/dbraw/zinc/15/29/57/565152957.db2.gz AROOCBLXUFUCLI-GVPAPYLISA-N 1 2 600.668 5.395 1 0 biogenic,in-vitro KKAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(NCC)[nH+]c1 ZINC000085595202 565152961 /nfs/dbraw/zinc/15/29/61/565152961.db2.gz AROOCBLXUFUCLI-GVPAPYLISA-N 1 2 600.668 5.395 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)[C@H](O)C(=O)CCC[C@H]2CCC[C@H](CCCO)C2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631367 565163635 /nfs/dbraw/zinc/16/36/35/565163635.db2.gz HQUNJNPGHBTCHS-UZHPPJHESA-N 1 2 672.843 5.053 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(O)=CC(=O)CCCCCCC2CCCCC2)cc([C@H]2c3cc[nH+]c(N)c3C=C[C@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631546 565165361 /nfs/dbraw/zinc/16/53/61/565165361.db2.gz KMSHCHSHJMHOLW-AEGYFVCZSA-N 1 2 640.845 7.254 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)C=C(O)CCCCCCC2CCCCC2)cc([C@H]2c3cc[nH+]c(N)c3C=C[C@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631546 565165368 /nfs/dbraw/zinc/16/53/68/565165368.db2.gz KMSHCHSHJMHOLW-AEGYFVCZSA-N 1 2 640.845 7.254 1 0 biogenic,in-vitro KKAFLO O=C(C=C(O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1C[C@H](O)CCc1cccc(O)c1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000150348584 565201986 /nfs/dbraw/zinc/20/19/86/565201986.db2.gz HXABYAXFPBUHJD-MEXZRVEGSA-N 1 2 649.788 6.401 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571212 291920205 /nfs/dbraw/zinc/92/02/05/291920205.db2.gz WRTJQJFCXBSOSS-RTQDBOSMSA-N 1 2 595.696 5.183 1 0 biogenic,in-vitro KKAFLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001483530 561675836 /nfs/dbraw/zinc/67/58/36/561675836.db2.gz SRUVIRMFXGIZDE-QFIPXVFZSA-N 1 2 536.476 5.401 1 0 KKAFLO O=C(Cc1c[nH+]c[nH]1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001483530 561675837 /nfs/dbraw/zinc/67/58/37/561675837.db2.gz SRUVIRMFXGIZDE-QFIPXVFZSA-N 1 2 536.476 5.401 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)NCCOCc1ccccc1 ZINC000003939700 561688973 /nfs/dbraw/zinc/68/89/73/561688973.db2.gz HSKXGSAIEWWVOI-BHVANESWSA-N 1 2 675.786 5.188 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)NCCOCc1ccccc1 ZINC000003939700 561688974 /nfs/dbraw/zinc/68/89/74/561688974.db2.gz HSKXGSAIEWWVOI-BHVANESWSA-N 1 2 675.786 5.188 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccc(C(=O)OC)cc2C(=O)OC)cc1 ZINC000003940107 561689206 /nfs/dbraw/zinc/68/92/06/561689206.db2.gz RTPQEXFSFBAYHB-UHFFFAOYSA-N 1 2 586.692 7.139 1 0 KKAFLO CCC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000003995140 561693805 /nfs/dbraw/zinc/69/38/05/561693805.db2.gz LOWIJALPIWAMBK-UHFFFAOYSA-N 1 2 623.150 7.262 1 0 KKAFLO CCC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000003995140 561693807 /nfs/dbraw/zinc/69/38/07/561693807.db2.gz LOWIJALPIWAMBK-UHFFFAOYSA-N 1 2 623.150 7.262 1 0 KKAFLO C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=[NH+]CCOC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000005544604 561696626 /nfs/dbraw/zinc/69/66/26/561696626.db2.gz RNNVAXDYBXNRQD-CNWFNVNNSA-N 1 2 562.710 6.216 1 0 KKAFLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000013611519 561721981 /nfs/dbraw/zinc/72/19/81/561721981.db2.gz XJFWVELXUFRWHB-UHFFFAOYSA-N 1 2 513.455 5.315 1 0 KKAFLO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 ZINC000013612728 561722066 /nfs/dbraw/zinc/72/20/66/561722066.db2.gz UFSLHCGFHDBQBS-UHFFFAOYSA-N 1 2 517.029 6.028 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccccc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743383 561726474 /nfs/dbraw/zinc/72/64/74/561726474.db2.gz NVNWLRVYOZFSBO-DIBXZPPDSA-N 1 2 528.653 5.666 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)OC1CCCCC1 ZINC000013803058 561730958 /nfs/dbraw/zinc/73/09/58/561730958.db2.gz RCCYZUXEMVAFFV-UHFFFAOYSA-N 1 2 523.637 6.107 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCN(C(=O)c1cccc3ccccc31)C2)OC1CCCCC1 ZINC000013803058 561730959 /nfs/dbraw/zinc/73/09/59/561730959.db2.gz RCCYZUXEMVAFFV-UHFFFAOYSA-N 1 2 523.637 6.107 1 0 KKAFLO COc1cc(OC)c([C@@H](CC[NH+]2CCOCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013813536 561731880 /nfs/dbraw/zinc/73/18/80/561731880.db2.gz RGMGCPAFKUJFMB-QFIPXVFZSA-N 1 2 529.589 5.060 3 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1scc(Cn2cc[nH+]c2)c1Cl ZINC000014963668 561749185 /nfs/dbraw/zinc/74/91/85/561749185.db2.gz URIZEPZRDZSTNX-UHFFFAOYSA-N 1 2 505.814 6.458 1 0 KKAFLO O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017544779 561755539 /nfs/dbraw/zinc/75/55/39/561755539.db2.gz CYKOLZWTLFGEPE-OOOSNSGVSA-N 1 2 598.721 5.397 3 0 KKAFLO O[C@H](CNc1ccc(Cl)cc1)C[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941092 561761070 /nfs/dbraw/zinc/76/10/70/561761070.db2.gz UWCWXVUOPMHJCE-MUUNZHRXSA-N 1 2 514.060 5.621 1 0 KKAFLO O=C1N(CC[NH+]2CCN([C@@H]3C[C@@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000022940775 561761088 /nfs/dbraw/zinc/76/10/88/561761088.db2.gz IYXNMOCEVXJKKO-LMSSTIIKSA-N 1 2 519.064 5.616 1 0 KKAFLO O=C(c1ccc(Cl)cc1)[C@H](Nc1ccc(Cl)cc1)N[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025977879 561763729 /nfs/dbraw/zinc/76/37/29/561763729.db2.gz XKPZFHQUOCYFRH-ILBGXUMGSA-N 1 2 534.274 7.149 1 0 KKAFLO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3[nH]cc[nH+]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025982497 561763955 /nfs/dbraw/zinc/76/39/55/561763955.db2.gz RHVJCBFPRBRDSX-MHZLTWQESA-N 1 2 528.722 5.920 1 0 KKAFLO Cc1[nH]c(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2CCc2ccccc2)c[nH+]1 ZINC000025981555 561764057 /nfs/dbraw/zinc/76/40/57/561764057.db2.gz QIBQNJKMUJGWIQ-AREMUKBSSA-N 1 2 504.631 5.070 1 0 KKAFLO Cc1[nH]cc(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2CCc2ccccc2)[nH+]1 ZINC000025981555 561764058 /nfs/dbraw/zinc/76/40/58/561764058.db2.gz QIBQNJKMUJGWIQ-AREMUKBSSA-N 1 2 504.631 5.070 1 0 KKAFLO O=S(=O)(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2c[nH+]c[nH]2)[C@@H](CCc2ccccc2)C1 ZINC000025981053 561764078 /nfs/dbraw/zinc/76/40/78/561764078.db2.gz JRGUHOSLFBIWAQ-NDEPHWFRSA-N 1 2 522.674 5.775 1 0 KKAFLO O=S(=O)(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2c[nH]c[nH+]2)[C@@H](CCc2ccccc2)C1 ZINC000025981053 561764080 /nfs/dbraw/zinc/76/40/80/561764080.db2.gz JRGUHOSLFBIWAQ-NDEPHWFRSA-N 1 2 522.674 5.775 1 0 KKAFLO COc1ccc([C@@H](Cc2c(C)c[nH+]cc2C)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1OC1CCCC1 ZINC000026258234 561775086 /nfs/dbraw/zinc/77/50/86/561775086.db2.gz JKCZYJPBEUJZFZ-VWLOTQADSA-N 1 2 567.570 7.715 1 0 KKAFLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270032 561777018 /nfs/dbraw/zinc/77/70/18/561777018.db2.gz MSXWYJRSWIKQOX-KVBYWJEESA-N 1 2 676.924 5.102 1 0 KKAFLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270032 561777020 /nfs/dbraw/zinc/77/70/20/561777020.db2.gz MSXWYJRSWIKQOX-KVBYWJEESA-N 1 2 676.924 5.102 1 0 KKAFLO CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000026274137 561777931 /nfs/dbraw/zinc/77/79/31/561777931.db2.gz PROMUUQIOXRZGL-KDXMTYKHSA-N 1 2 581.675 6.537 1 0 KKAFLO CC(C)c1c[nH+]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[nH]1 ZINC000026493317 561793758 /nfs/dbraw/zinc/79/37/58/561793758.db2.gz ZYHQCENPVBLQDA-QMGVEFKFSA-N 1 2 576.782 5.887 1 0 KKAFLO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576978 561800840 /nfs/dbraw/zinc/80/08/40/561800840.db2.gz IAOSIUSNGUBCRR-WJOKGBTCSA-N 1 2 608.915 8.981 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 ZINC000026662432 561810451 /nfs/dbraw/zinc/81/04/51/561810451.db2.gz RNTYTRGYGHSHPI-HHHXNRCGSA-N 1 2 537.660 6.323 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 ZINC000026662432 561810454 /nfs/dbraw/zinc/81/04/54/561810454.db2.gz RNTYTRGYGHSHPI-HHHXNRCGSA-N 1 2 537.660 6.323 1 0 KKAFLO CCOC(=O)C1=C(c2ccc(-c3c(C)[nH+]c4ccccn43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026831316 561822946 /nfs/dbraw/zinc/82/29/46/561822946.db2.gz SAFXQJBGSURGQD-SSEXGKCCSA-N 1 2 604.110 6.932 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@@H](c2ccccc2Cl)C1C(=O)OC(C)(C)C ZINC000026835975 561824363 /nfs/dbraw/zinc/82/43/63/561824363.db2.gz YNSDOPBQSYBGFT-BTCYUKQASA-N 1 2 585.104 7.500 1 0 KKAFLO CCC(CC)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026982221 561831452 /nfs/dbraw/zinc/83/14/52/561831452.db2.gz KESDVVHGRDVTAS-LHEWISCISA-N 1 2 701.868 6.729 1 0 KKAFLO CCC(CC)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026982221 561831453 /nfs/dbraw/zinc/83/14/53/561831453.db2.gz KESDVVHGRDVTAS-LHEWISCISA-N 1 2 701.868 6.729 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000026993904 561832896 /nfs/dbraw/zinc/83/28/96/561832896.db2.gz WQPYGRKAOXZYEH-JTZWTTIBSA-N 1 2 693.914 6.136 1 0 KKAFLO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000026993904 561832898 /nfs/dbraw/zinc/83/28/98/561832898.db2.gz WQPYGRKAOXZYEH-JTZWTTIBSA-N 1 2 693.914 6.136 1 0 KKAFLO C[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000027080193 561834861 /nfs/dbraw/zinc/83/48/61/561834861.db2.gz LHWFFKQEXHJCEB-ZADIWHOSSA-N 1 2 659.787 5.602 1 0 KKAFLO C[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000027080193 561834863 /nfs/dbraw/zinc/83/48/63/561834863.db2.gz LHWFFKQEXHJCEB-ZADIWHOSSA-N 1 2 659.787 5.602 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(C(F)(F)F)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027204384 561845703 /nfs/dbraw/zinc/84/57/03/561845703.db2.gz PFPDAYPYRISXEH-IMRQLAEWSA-N 1 2 596.650 6.685 1 0 KKAFLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517862 561861604 /nfs/dbraw/zinc/86/16/04/561861604.db2.gz DSHYGKAKVRNSRB-AOYPEHQESA-N 1 2 576.694 5.344 1 0 KKAFLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517862 561861605 /nfs/dbraw/zinc/86/16/05/561861605.db2.gz DSHYGKAKVRNSRB-AOYPEHQESA-N 1 2 576.694 5.344 1 0 KKAFLO S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1cc[nH+]c1 ZINC000027525628 561866030 /nfs/dbraw/zinc/86/60/30/561866030.db2.gz ZEKIHIRYKCWJBQ-UHFFFAOYSA-N 1 2 570.388 5.689 1 0 KKAFLO Cc1[nH+]cc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)CCO4)nc2)n1Cc1ccccc1 ZINC000028103829 561902059 /nfs/dbraw/zinc/90/20/59/561902059.db2.gz DSHDAYCKUUJXPF-JGCGQSQUSA-N 1 2 552.638 5.583 1 0 KKAFLO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(N4c5ccc(OC)cc5COC4=O)CC3)ccc21 ZINC000028117905 561904107 /nfs/dbraw/zinc/90/41/07/561904107.db2.gz JEAAONDNZSTVDF-UHFFFAOYSA-N 1 2 512.610 5.383 1 0 KKAFLO CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCN(c4cccc[nH+]4)CC3)ncn2)cc1C(F)(F)F ZINC000028133320 561906156 /nfs/dbraw/zinc/90/61/56/561906156.db2.gz DSFIFHBCIUBDGW-UHFFFAOYSA-N 1 2 535.639 7.159 1 0 KKAFLO CC(C)c1ccccc1Sc1ccc(-c2csc(NCC[NH+]3CCOCC3)n2)cc1C(F)(F)F ZINC000028337582 561913608 /nfs/dbraw/zinc/91/36/08/561913608.db2.gz VRRZPNMTWFUQEJ-UHFFFAOYSA-N 1 2 507.647 6.848 1 0 KKAFLO CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028341415 561914090 /nfs/dbraw/zinc/91/40/90/561914090.db2.gz FFRCQBGVCKTCAM-UHFFFAOYSA-N 1 2 524.385 5.433 1 0 KKAFLO CN(C)c1nc(NC2CCN(C(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028342196 561914274 /nfs/dbraw/zinc/91/42/74/561914274.db2.gz AHAIAGUVLZQAPM-UHFFFAOYSA-N 1 2 538.368 5.074 1 0 KKAFLO COc1ccccc1Sc1ccc(-c2cc[nH+]c(N3CC[C@@H](N(C)C(C)=O)C3)c2)cc1C(F)(F)F ZINC000028357795 561916287 /nfs/dbraw/zinc/91/62/87/561916287.db2.gz LRABRYURWMXYGU-HXUWFJFHSA-N 1 2 501.574 5.984 1 0 KKAFLO CC(=O)N1CC[NH+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028387457 561921452 /nfs/dbraw/zinc/92/14/52/561921452.db2.gz UGCHPTMRZVEORF-UHFFFAOYSA-N 1 2 582.044 5.178 1 0 KKAFLO O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000028459882 561924768 /nfs/dbraw/zinc/92/47/68/561924768.db2.gz OZILZCKVEVTMAQ-BDOYRQHFSA-N 1 2 594.756 5.422 1 0 KKAFLO O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 ZINC000028459880 561924821 /nfs/dbraw/zinc/92/48/21/561924821.db2.gz OZILZCKVEVTMAQ-MQFPAPDUSA-N 1 2 594.756 5.422 1 0 KKAFLO CN(C)c1ccc(N2C(=O)C[C@@H]3[C@H]([NH2+][C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 ZINC000028460447 561925043 /nfs/dbraw/zinc/92/50/43/561925043.db2.gz JFEMEKUOHMARQZ-FNERNNGASA-N 1 2 623.798 5.492 1 0 KKAFLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC2=NO[C@H](C[NH+]3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570634 561939008 /nfs/dbraw/zinc/93/90/08/561939008.db2.gz JCNGFFPINBNJRH-FTJBHMTQSA-N 1 2 637.625 5.052 1 0 KKAFLO CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@@H+]2CC(F)F)cc(C(C)=O)c1 ZINC000028604026 561940405 /nfs/dbraw/zinc/94/04/05/561940405.db2.gz VMQXOMTZSIHVEX-LVXARBLLSA-N 1 2 517.592 5.721 1 0 KKAFLO CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@H+]2CC(F)F)cc(C(C)=O)c1 ZINC000028604026 561940406 /nfs/dbraw/zinc/94/04/06/561940406.db2.gz VMQXOMTZSIHVEX-LVXARBLLSA-N 1 2 517.592 5.721 1 0 KKAFLO CS(=O)(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702832 561947340 /nfs/dbraw/zinc/94/73/40/561947340.db2.gz LABJUYGFTREJOE-QHCPKHFHSA-N 1 2 648.695 6.222 1 0 KKAFLO COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC[NH+]5CCOCC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710605 561951515 /nfs/dbraw/zinc/95/15/15/561951515.db2.gz KMAGTVHOWINPHO-UHFFFAOYSA-N 1 2 680.853 5.223 1 0 KKAFLO Cc1ccc(NC(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=[NH2+])Nc5ccc(C)cc5)cc4)s3)cc2)cc1 ZINC000028707687 561950060 /nfs/dbraw/zinc/95/00/60/561950060.db2.gz QTJRLGKNYJCBEP-UHFFFAOYSA-N 1 2 530.701 8.616 1 0 KKAFLO CSc1nccc(N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)n1 ZINC000028766663 561959805 /nfs/dbraw/zinc/95/98/05/561959805.db2.gz AAPLMEZTZOTGCS-UHFFFAOYSA-N 1 2 524.572 5.472 1 0 KKAFLO O=C(c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000028768064 561960300 /nfs/dbraw/zinc/96/03/00/561960300.db2.gz AZWPXPDYMDKHIC-UHFFFAOYSA-N 1 2 525.958 6.774 1 0 KKAFLO Cc1[nH+]c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCCCCCNC(=O)Oc1c(F)cccc1F ZINC000028821696 561966592 /nfs/dbraw/zinc/96/65/92/561966592.db2.gz FTFMPYWXZDLNAM-UHFFFAOYSA-N 1 2 525.546 7.431 1 0 KKAFLO Cc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@H](NC(=O)Oc1ccccc1F)C(C)C ZINC000028821689 561966629 /nfs/dbraw/zinc/96/66/29/561966629.db2.gz HMJCRVRGZFQOMD-NDEPHWFRSA-N 1 2 513.657 8.038 1 0 KKAFLO COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1cc[nH+]cc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000028822234 561966860 /nfs/dbraw/zinc/96/68/60/561966860.db2.gz KVBYKIAFNGYLFS-UHFFFAOYSA-N 1 2 557.026 5.213 1 0 KKAFLO COCCN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)nc[nH+]1 ZINC000028952852 561982261 /nfs/dbraw/zinc/98/22/61/561982261.db2.gz ZJILDGXZYULAJU-UHFFFAOYSA-N 1 2 546.550 5.837 1 0 KKAFLO Nc1ccccc1NC(=O)c1ccc([C@@H](C(=O)Nc2ccc3ccccc3c2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000028976597 561986998 /nfs/dbraw/zinc/98/69/98/561986998.db2.gz WPBSNVTXKCFCIY-XIFFEERXSA-N 1 2 555.682 6.176 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000036338862 562057430 /nfs/dbraw/zinc/05/74/30/562057430.db2.gz SLZDAHQKZCFNCA-UHFFFAOYSA-N 1 2 598.670 6.279 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000036338862 562057431 /nfs/dbraw/zinc/05/74/31/562057431.db2.gz SLZDAHQKZCFNCA-UHFFFAOYSA-N 1 2 598.670 6.279 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000036338862 562057433 /nfs/dbraw/zinc/05/74/33/562057433.db2.gz SLZDAHQKZCFNCA-UHFFFAOYSA-N 1 2 598.670 6.279 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)C(C)C)c1 ZINC000036338858 562057562 /nfs/dbraw/zinc/05/75/62/562057562.db2.gz AKYQOQRRFDHNEA-UHFFFAOYSA-N 1 2 554.764 6.208 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)C(C)C)c1 ZINC000036338858 562057564 /nfs/dbraw/zinc/05/75/64/562057564.db2.gz AKYQOQRRFDHNEA-UHFFFAOYSA-N 1 2 554.764 6.208 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)C(C)C)c1 ZINC000036338858 562057566 /nfs/dbraw/zinc/05/75/66/562057566.db2.gz AKYQOQRRFDHNEA-UHFFFAOYSA-N 1 2 554.764 6.208 1 0 KKAFLO Cc1cccc(NC(=O)CCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338895 562057612 /nfs/dbraw/zinc/05/76/12/562057612.db2.gz OJLLDVYETXKYTJ-UHFFFAOYSA-N 1 2 511.695 5.337 1 0 KKAFLO Cc1cccc(NC(=O)CCc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338895 562057614 /nfs/dbraw/zinc/05/76/14/562057614.db2.gz OJLLDVYETXKYTJ-UHFFFAOYSA-N 1 2 511.695 5.337 1 0 KKAFLO Cc1cccc(NC(=O)CCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338895 562057616 /nfs/dbraw/zinc/05/76/16/562057616.db2.gz OJLLDVYETXKYTJ-UHFFFAOYSA-N 1 2 511.695 5.337 1 0 KKAFLO O=C1[C@@H](Cc2ccccc2)Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Cl)cc1 ZINC000036382446 562059899 /nfs/dbraw/zinc/05/98/99/562059899.db2.gz AHHDKULSHYIHSR-AREMUKBSSA-N 1 2 525.056 5.027 3 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000038157239 562068595 /nfs/dbraw/zinc/06/85/95/562068595.db2.gz FJGKVFWXFGAENH-OFVILXPXSA-N 1 2 559.585 5.799 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000038157239 562068598 /nfs/dbraw/zinc/06/85/98/562068598.db2.gz FJGKVFWXFGAENH-OFVILXPXSA-N 1 2 559.585 5.799 1 0 KKAFLO O=C(NCCCc1c[nH+]c[nH]1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372493 562071390 /nfs/dbraw/zinc/07/13/90/562071390.db2.gz DKBCPWSPMZLASX-MFMCTBQISA-N 1 2 669.068 5.186 1 0 KKAFLO O=C(NCCCc1c[nH]c[nH+]1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372493 562071392 /nfs/dbraw/zinc/07/13/92/562071392.db2.gz DKBCPWSPMZLASX-MFMCTBQISA-N 1 2 669.068 5.186 1 0 KKAFLO Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1-c1ccc([NH+](C)C)cc1 ZINC000040568308 562078108 /nfs/dbraw/zinc/07/81/08/562078108.db2.gz IIXPVVPLTZJXSU-UHFFFAOYSA-N 1 2 512.038 6.481 1 0 KKAFLO COc1cc(CC[C@H](C[C@H](CCCCCCc2ccccc2)OC(C)=O)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629458 560068425 /nfs/dbraw/zinc/06/84/25/560068425.db2.gz BGTKGWFSVKGUNL-URLMMPGGSA-N 1 2 562.707 6.424 1 0 biogenic,in-vitro KKAFLO C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)n1cc[nH+]c1 ZINC000043064399 562645289 /nfs/dbraw/zinc/64/52/89/562645289.db2.gz SUQWJVBVPBOQEV-DEOSSOPVSA-N 1 2 566.640 7.811 1 0 KKAFLO C[C@H](Nc1cc(NC2CCCCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043064671 562645310 /nfs/dbraw/zinc/64/53/10/562645310.db2.gz DMUURKFXZRTRBZ-UQBPGWFLSA-N 1 2 527.938 7.854 1 0 KKAFLO C[C@H](Nc1cc(NC2CCCCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043064671 562645311 /nfs/dbraw/zinc/64/53/11/562645311.db2.gz DMUURKFXZRTRBZ-UQBPGWFLSA-N 1 2 527.938 7.854 1 0 KKAFLO CCCC[C@H](CC)CNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc[nH+]1 ZINC000043066361 562645331 /nfs/dbraw/zinc/64/53/31/562645331.db2.gz CNPDKRZFFANWGF-ISJBWFOZSA-N 1 2 543.981 8.348 1 0 KKAFLO CCCC[C@H](CC)CNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]cn1 ZINC000043066361 562645332 /nfs/dbraw/zinc/64/53/32/562645332.db2.gz CNPDKRZFFANWGF-ISJBWFOZSA-N 1 2 543.981 8.348 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000043100216 562645911 /nfs/dbraw/zinc/64/59/11/562645911.db2.gz VDGCNOYTIPMBBA-LOAGWBBBSA-N 1 2 614.808 6.883 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000043100216 562645912 /nfs/dbraw/zinc/64/59/12/562645912.db2.gz VDGCNOYTIPMBBA-LOAGWBBBSA-N 1 2 614.808 6.883 1 0 KKAFLO COc1cc(-c2cn([C@@H]3CCc4c(C)cc(C)cc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000043201895 562646891 /nfs/dbraw/zinc/64/68/91/562646891.db2.gz FPIQKPMIVCAYLZ-HSZRJFAPSA-N 1 2 524.547 5.147 1 0 KKAFLO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000043206911 562647085 /nfs/dbraw/zinc/64/70/85/562647085.db2.gz SSUPLUNANJLTQW-UHFFFAOYSA-N 1 2 617.477 6.216 1 0 KKAFLO COc1cccc(C(=O)N[C@@H]2CCC[C@H](CN(C(=O)Nc3ccccc3)c3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000044031722 562651553 /nfs/dbraw/zinc/65/15/53/562651553.db2.gz FCRQRXBCUSWSEF-LITSAYRRSA-N 1 2 586.733 5.434 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044052902 562651881 /nfs/dbraw/zinc/65/18/81/562651881.db2.gz VCGJYQLITQXOFG-CQTOTRCISA-N 1 2 626.842 7.070 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)nn1)OC1CCCC1 ZINC000044157165 562652473 /nfs/dbraw/zinc/65/24/73/562652473.db2.gz PKEPNCXIQXADFL-PXLJZGITSA-N 1 2 610.202 7.285 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)nn1)OC1CCCC1 ZINC000044157165 562652474 /nfs/dbraw/zinc/65/24/74/562652474.db2.gz PKEPNCXIQXADFL-PXLJZGITSA-N 1 2 610.202 7.285 1 0 KKAFLO Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)[nH+]c2c1 ZINC000044280628 562652914 /nfs/dbraw/zinc/65/29/14/562652914.db2.gz AJDHVQNHDFFNGF-UHFFFAOYSA-N 1 2 585.455 7.074 1 0 KKAFLO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000044388110 562656255 /nfs/dbraw/zinc/65/62/55/562656255.db2.gz TZNQLVLILPGVRT-WJOKGBTCSA-N 1 2 628.843 5.511 1 0 KKAFLO Cc1nc(-c2cccc(C(=O)N(Cc3c[nH+]cn3Cc3cccc(C(F)(F)F)c3)CC3CC3)c2)cs1 ZINC000045186984 562658209 /nfs/dbraw/zinc/65/82/09/562658209.db2.gz DCBDPBKJFSXHMJ-UHFFFAOYSA-N 1 2 510.585 6.435 1 0 KKAFLO CCn1nc(C)c2c1CC[N@H+]([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000049033015 562663417 /nfs/dbraw/zinc/66/34/17/562663417.db2.gz DGPFFUIWMVZLDF-SQJMNOBHSA-N 1 2 520.546 5.528 1 0 KKAFLO CCn1nc(C)c2c1CC[N@@H+]([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000049033015 562663418 /nfs/dbraw/zinc/66/34/18/562663418.db2.gz DGPFFUIWMVZLDF-SQJMNOBHSA-N 1 2 520.546 5.528 1 0 KKAFLO FC(F)(F)c1ccc2nc(-c3cccc(-c4cccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)c4)c3)[nH]c2c1 ZINC000049605062 562665299 /nfs/dbraw/zinc/66/52/99/562665299.db2.gz GVVRNTFBEWLVJR-UHFFFAOYSA-N 1 2 524.550 6.786 1 0 KKAFLO O=C(NCCSCc1c(F)cccc1Cl)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCc1c[nH]c[nH+]1 ZINC000049605145 562665420 /nfs/dbraw/zinc/66/54/20/562665420.db2.gz QWFGSMFHLLHPFP-UHFFFAOYSA-N 1 2 601.111 5.910 1 0 KKAFLO O=C(NCCSCc1c(F)cccc1Cl)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCc1c[nH+]c[nH]1 ZINC000049605145 562665421 /nfs/dbraw/zinc/66/54/21/562665421.db2.gz QWFGSMFHLLHPFP-UHFFFAOYSA-N 1 2 601.111 5.910 1 0 KKAFLO COc1ccc(CNC(=O)c2c[nH+]c3c(O)cccc3c2Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000049626900 562667377 /nfs/dbraw/zinc/66/73/77/562667377.db2.gz SJAJINIWKOFELB-UHFFFAOYSA-N 1 2 594.671 7.542 1 0 KKAFLO COc1cc2[nH+]c(NCc3ccc(S(N)(=O)=O)cc3)nc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000049639170 562667649 /nfs/dbraw/zinc/66/76/49/562667649.db2.gz ZECFEOSQXVAFOC-UHFFFAOYSA-N 1 2 557.632 5.442 1 0 KKAFLO C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000049639630 562667773 /nfs/dbraw/zinc/66/77/73/562667773.db2.gz UUPKKYWOMUYXMX-LJAQVGFWSA-N 1 2 661.785 8.283 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(NC5CCOCC5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049694958 562670041 /nfs/dbraw/zinc/67/00/41/562670041.db2.gz QFBIGXSOTHTHGD-UHFFFAOYSA-N 1 2 593.640 5.433 1 0 KKAFLO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3[nH+]cccc3OC)CC2)c1 ZINC000049695471 562670614 /nfs/dbraw/zinc/67/06/14/562670614.db2.gz TVCIORPXEJERBU-UHFFFAOYSA-N 1 2 545.728 6.288 1 0 KKAFLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000049710550 562671760 /nfs/dbraw/zinc/67/17/60/562671760.db2.gz SWHUTHIDFNRMRW-UHFFFAOYSA-N 1 2 609.123 6.871 1 0 KKAFLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000049710550 562671761 /nfs/dbraw/zinc/67/17/61/562671761.db2.gz SWHUTHIDFNRMRW-UHFFFAOYSA-N 1 2 609.123 6.871 1 0 KKAFLO Cc1ccc(Nc2nccc(Nc3ccc4c(c3)[nH+]c(Nc3cc(C(C)(C)C)on3)n4C)n2)cc1S(C)(=O)=O ZINC000049723256 562673132 /nfs/dbraw/zinc/67/31/32/562673132.db2.gz TVQOKORJECSXIC-UHFFFAOYSA-N 1 2 546.657 5.592 1 0 KKAFLO COc1ccccc1N1CCN(c2[nH+]c3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000049746394 562674427 /nfs/dbraw/zinc/67/44/27/562674427.db2.gz TYUANHFHQLOLIK-UHFFFAOYSA-N 1 2 582.789 7.172 1 0 KKAFLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(NC(=O)c3cccc4ccccc43)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049762399 562676513 /nfs/dbraw/zinc/67/65/13/562676513.db2.gz ZBDTYDOIKGTAFL-UUWRZZSWSA-N 1 2 582.704 6.250 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(N[C@@H](CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC ZINC000049762525 562676598 /nfs/dbraw/zinc/67/65/98/562676598.db2.gz VVCJSJLTDUKFKI-VWLOTQADSA-N 1 2 529.490 6.555 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)C[C@@H](Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC ZINC000049762523 562676600 /nfs/dbraw/zinc/67/66/00/562676600.db2.gz QZFNZRUAGFFIGB-RUZDIDTESA-N 1 2 529.490 6.555 1 0 KKAFLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N2CCOCC2)ncn1 ZINC000049774813 562678773 /nfs/dbraw/zinc/67/87/73/562678773.db2.gz GGEALBVZDVXUND-UHFFFAOYSA-N 1 2 573.579 5.975 1 0 KKAFLO O=C(Nc1ccccc1)N(c1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](CN(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1 ZINC000049776334 562679351 /nfs/dbraw/zinc/67/93/51/562679351.db2.gz VIGDRXGMJIQJQK-VIZCGCQYSA-N 1 2 708.514 7.657 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777010 562679539 /nfs/dbraw/zinc/67/95/39/562679539.db2.gz BCFJYKHFHKDCKL-PMERELPUSA-N 1 2 631.777 6.008 1 0 KKAFLO O=C(CCC[NH2+][C@@H](CCC(=O)OC1CCCCC1)C(=O)OCc1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000049778218 562681060 /nfs/dbraw/zinc/68/10/60/562681060.db2.gz SLTWKISWBRZBEL-ZPGRZCPFSA-N 1 2 714.856 5.876 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049778285 562681118 /nfs/dbraw/zinc/68/11/18/562681118.db2.gz HOJJPFAVIQOXGJ-BHBYDHKZSA-N 1 2 722.541 8.047 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2cccc(F)c2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000049803238 562686079 /nfs/dbraw/zinc/68/60/79/562686079.db2.gz JZAYARPHTUBBFJ-UHFFFAOYSA-N 1 2 590.667 6.096 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2cccc(F)c2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000049803238 562686080 /nfs/dbraw/zinc/68/60/80/562686080.db2.gz JZAYARPHTUBBFJ-UHFFFAOYSA-N 1 2 590.667 6.096 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(C)c3C)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049833154 562687530 /nfs/dbraw/zinc/68/75/30/562687530.db2.gz BSAHCNUPPUAXIC-XQJOSWFISA-N 1 2 662.658 6.914 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(F)ccc(F)c4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049889182 562691859 /nfs/dbraw/zinc/69/18/59/562691859.db2.gz YRCLMQJQELEYIJ-KPURRNSFSA-N 1 2 691.002 6.920 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4c(Cl)cc(C)c(C)c4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049898532 562692636 /nfs/dbraw/zinc/69/26/36/562692636.db2.gz XGORADXWFLMHCT-OOWIMERYSA-N 1 2 717.521 7.912 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(Cl)cc(C)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049898597 562692710 /nfs/dbraw/zinc/69/27/10/562692710.db2.gz WHPOWHLJYXCXKJ-HVIPQOSHSA-N 1 2 701.522 8.158 1 0 KKAFLO CC(C)(C)c1cc(C(=O)Cn2c3ccc(C(=O)c4ccccc4)cc3[nH+]c2NCCCO)cc(C(C)(C)C)c1O ZINC000053297474 562697449 /nfs/dbraw/zinc/69/74/49/562697449.db2.gz LBNDKTVIYGWAKT-UHFFFAOYSA-N 1 2 541.692 6.245 1 0 KKAFLO CC(C)(C)c1cc(C(=O)Cn2c3ccc(-c4ccccc4)cc3[nH+]c2NCCCO)cc(C(C)(C)C)c1O ZINC000053298932 562697548 /nfs/dbraw/zinc/69/75/48/562697548.db2.gz BTUOIABZANYDEN-UHFFFAOYSA-N 1 2 513.682 6.681 1 0 KKAFLO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc(C(F)(F)F)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1 ZINC000058548427 562699115 /nfs/dbraw/zinc/69/91/15/562699115.db2.gz FMNYPFYWZCNSLW-UHFFFAOYSA-N 1 2 686.779 5.923 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])C(=O)N(Cc3cc(CCS(C)(=O)=O)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000058583615 562700150 /nfs/dbraw/zinc/70/01/50/562700150.db2.gz UPTADYJTDLFDFQ-XMMPIXPASA-N 1 2 668.083 6.309 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000058602198 562700835 /nfs/dbraw/zinc/70/08/35/562700835.db2.gz BNBSDZRWCCHBOZ-DZMJNENTSA-N 1 2 661.844 5.122 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000058602198 562700836 /nfs/dbraw/zinc/70/08/36/562700836.db2.gz BNBSDZRWCCHBOZ-DZMJNENTSA-N 1 2 661.844 5.122 1 0 KKAFLO CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C ZINC000064585971 562708795 /nfs/dbraw/zinc/70/87/95/562708795.db2.gz PTVBRWZQHJAIAX-JBOQNHBVSA-N 1 2 625.807 5.978 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066252477 562714769 /nfs/dbraw/zinc/71/47/69/562714769.db2.gz YLEAULYBYCGXEQ-UHFFFAOYSA-N 1 2 630.774 5.555 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccc(Cl)cc3)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258491 562714997 /nfs/dbraw/zinc/71/49/97/562714997.db2.gz LYYBKEXNSAIKCW-COPCDDAFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccc(Cl)cc3)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258491 562714998 /nfs/dbraw/zinc/71/49/98/562714998.db2.gz LYYBKEXNSAIKCW-COPCDDAFSA-N 1 2 500.870 7.550 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071296957 562717653 /nfs/dbraw/zinc/71/76/53/562717653.db2.gz JOMAWLARCUAKPQ-SSEXGKCCSA-N 1 2 524.064 6.069 1 0 KKAFLO CCOC(=O)C(C)(C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000071329234 562718829 /nfs/dbraw/zinc/71/88/29/562718829.db2.gz APXBWNGPVVLQCC-UHFFFAOYSA-N 1 2 580.110 5.611 1 0 KKAFLO CCOC(=O)C(C)(C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000071329234 562718830 /nfs/dbraw/zinc/71/88/30/562718830.db2.gz APXBWNGPVVLQCC-UHFFFAOYSA-N 1 2 580.110 5.611 1 0 KKAFLO Cc1ccc(C(=O)Nc2cc(-n3cc[nH+]c3)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1 ZINC000071329620 562718959 /nfs/dbraw/zinc/71/89/59/562718959.db2.gz DHQCZYDRYAFSAN-UHFFFAOYSA-N 1 2 520.540 6.714 1 0 KKAFLO COC(=O)C1(COc2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(NC(=O)c3nc4c(s3)C[N@H+](C)CC4)c2)CC1 ZINC000071330077 562719076 /nfs/dbraw/zinc/71/90/76/562719076.db2.gz ATWQMCBNIYPQNG-UHFFFAOYSA-N 1 2 594.093 5.102 1 0 KKAFLO COC(=O)C1(COc2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(NC(=O)c3nc4c(s3)C[N@@H+](C)CC4)c2)CC1 ZINC000071330077 562719077 /nfs/dbraw/zinc/71/90/77/562719077.db2.gz ATWQMCBNIYPQNG-UHFFFAOYSA-N 1 2 594.093 5.102 1 0 KKAFLO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCSC(=S)N1CC[NH+](C)CC1 ZINC000071332582 562719378 /nfs/dbraw/zinc/71/93/78/562719378.db2.gz ZRELQRLKYMFEKE-UHFFFAOYSA-N 1 2 536.098 5.209 1 0 KKAFLO COc1ccc(C[NH2+][C@H](CCc2ccccc2)c2nc(Cc3ccccc3)c(N3CCCCC3)o2)cc1OC ZINC000072101126 562720275 /nfs/dbraw/zinc/72/02/75/562720275.db2.gz NOLABLPNMSQXME-MUUNZHRXSA-N 1 2 525.693 6.737 1 0 KKAFLO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2cccc(CO)n2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110793 562721857 /nfs/dbraw/zinc/72/18/57/562721857.db2.gz ZACNLCHZFCZBLK-UHFFFAOYSA-N 1 2 698.752 5.410 1 0 KKAFLO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2cccc(CO)n2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110793 562721858 /nfs/dbraw/zinc/72/18/58/562721858.db2.gz ZACNLCHZFCZBLK-UHFFFAOYSA-N 1 2 698.752 5.410 1 0 KKAFLO COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6cccc(C)c6)cc5c4CC[N@@H+]3C[C@H]2[C@H](C)O)cc1 ZINC000072122044 562724368 /nfs/dbraw/zinc/72/43/68/562724368.db2.gz RTBMPKXFBBEGQT-BULSJTFDSA-N 1 2 538.692 5.984 3 0 KKAFLO COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6cccc(C)c6)cc5c4CC[N@H+]3C[C@H]2[C@H](C)O)cc1 ZINC000072122044 562724369 /nfs/dbraw/zinc/72/43/69/562724369.db2.gz RTBMPKXFBBEGQT-BULSJTFDSA-N 1 2 538.692 5.984 3 0 KKAFLO COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc(OC)cc6)cc5c4CC[N@@H+]3C[C@H]2[C@H](C)O)cc1 ZINC000072134132 562727205 /nfs/dbraw/zinc/72/72/05/562727205.db2.gz BTWKERLVWJCTDC-ZQXQEFOJSA-N 1 2 554.691 5.685 3 0 KKAFLO COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc(OC)cc6)cc5c4CC[N@H+]3C[C@H]2[C@H](C)O)cc1 ZINC000072134132 562727206 /nfs/dbraw/zinc/72/72/06/562727206.db2.gz BTWKERLVWJCTDC-ZQXQEFOJSA-N 1 2 554.691 5.685 3 0 KKAFLO Cc1cccc(-c2ccc3[nH]c4c(c3c2)CC[N@H+]2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3ccc(F)cc3)C[C@@H]42)c1 ZINC000072141022 562729250 /nfs/dbraw/zinc/72/92/50/562729250.db2.gz YNUDPNCOEOVZHH-ZXQXXDJJSA-N 1 2 526.656 6.115 3 0 KKAFLO Cc1cccc(-c2ccc3[nH]c4c(c3c2)CC[N@@H+]2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3ccc(F)cc3)C[C@@H]42)c1 ZINC000072141022 562729251 /nfs/dbraw/zinc/72/92/51/562729251.db2.gz YNUDPNCOEOVZHH-ZXQXXDJJSA-N 1 2 526.656 6.115 3 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4)n3)c[nH+]2)CC1 ZINC000072176148 562731486 /nfs/dbraw/zinc/73/14/86/562731486.db2.gz LHCIBQLPMCBTDW-UHFFFAOYSA-N 1 2 689.267 6.652 1 0 KKAFLO CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 ZINC000072181236 562732643 /nfs/dbraw/zinc/73/26/43/562732643.db2.gz YYUXPUISOAQNJU-SSEXGKCCSA-N 1 2 537.639 5.139 1 0 KKAFLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 ZINC000072181250 562732683 /nfs/dbraw/zinc/73/26/83/562732683.db2.gz LXPTUYINJHUIPI-MGBGTMOVSA-N 1 2 564.705 6.477 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(C[C@@H](C[NH+]6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072284450 562733040 /nfs/dbraw/zinc/73/30/40/562733040.db2.gz BTGSCJGGIRKDSQ-YWJIWSAISA-N 1 2 612.852 6.004 1 0 KKAFLO COc1cc(N(Cc2ccccc2)c2nc(C)c(Cc3ccc(Cl)cc3)s2)ccc1-n1c[nH+]c(C)c1 ZINC000073159172 562733992 /nfs/dbraw/zinc/73/39/92/562733992.db2.gz IJCMEVCTKCCZMU-UHFFFAOYSA-N 1 2 515.082 7.537 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073162403 562734190 /nfs/dbraw/zinc/73/41/90/562734190.db2.gz MHYJCYDAUOMJGN-VWLOTQADSA-N 1 2 530.562 5.222 1 0 KKAFLO O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073164842 562734311 /nfs/dbraw/zinc/73/43/11/562734311.db2.gz CNLOIBCRVNTADY-QHCPKHFHSA-N 1 2 531.455 5.510 1 0 KKAFLO CCOC(=O)Nc1ccccc1[C@@H](c1ccc(C(=O)N(CC)CC)cc1)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000073165035 562734371 /nfs/dbraw/zinc/73/43/71/562734371.db2.gz KNZOXZAJOJLVKT-GDLZYMKVSA-N 1 2 529.685 5.039 1 0 KKAFLO CCOC(=O)Nc1ccccc1[C@@H](c1ccc(C(=O)N(CC)CC)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000073165035 562734372 /nfs/dbraw/zinc/73/43/72/562734372.db2.gz KNZOXZAJOJLVKT-GDLZYMKVSA-N 1 2 529.685 5.039 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)cc1 ZINC000073200458 562736131 /nfs/dbraw/zinc/73/61/31/562736131.db2.gz YZCXQUIGYUZECW-MUUNZHRXSA-N 1 2 612.554 5.484 1 0 KKAFLO CC[C@H](C)n1cc(NC(=O)c2ccc(/C=C/c3cnc4ccccc4c3)cc2)cc1C(=O)Nc1cc(C(=O)NCC[NH+]2CCOCC2)n(C)c1 ZINC000082136620 562738941 /nfs/dbraw/zinc/73/89/41/562738941.db2.gz MXXZXXPZOUDUTG-NRXURXQESA-N 1 2 673.818 6.083 1 0 KKAFLO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140353 562739376 /nfs/dbraw/zinc/73/93/76/562739376.db2.gz ZYXFJNFSNPPLBN-GDLZYMKVSA-N 1 2 676.041 5.883 1 0 KKAFLO O=C(CC(F)(F)F)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082140567 562739529 /nfs/dbraw/zinc/73/95/29/562739529.db2.gz XZEYEXQVTZLOBT-JGCGQSQUSA-N 1 2 701.186 5.433 1 0 KKAFLO O=C(CC(F)(F)F)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082149037 562739657 /nfs/dbraw/zinc/73/96/57/562739657.db2.gz NJZHFMOUGXZQBL-MUUNZHRXSA-N 1 2 711.103 5.834 1 0 KKAFLO COc1ccc([C@@H]2CN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)nc[nH+]3)CCO2)cc1 ZINC000082153329 562740135 /nfs/dbraw/zinc/74/01/35/562740135.db2.gz TVRVKXWQZDQWCS-GOTSBHOMSA-N 1 2 525.440 5.588 1 0 KKAFLO COc1ccc([C@@H]2CN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)[nH+]cn3)CCO2)cc1 ZINC000082153329 562740136 /nfs/dbraw/zinc/74/01/36/562740136.db2.gz TVRVKXWQZDQWCS-GOTSBHOMSA-N 1 2 525.440 5.588 1 0 KKAFLO O=C(CCNC(=O)Cc1cc(F)cc(F)c1)Nc1ccc(-c2cn3c(n2)sc2c3C[N@H+](Cc3ccccc3)CC2)cc1 ZINC000082154079 562740244 /nfs/dbraw/zinc/74/02/44/562740244.db2.gz JGUAEGUISMFMDX-UHFFFAOYSA-N 1 2 585.680 5.587 1 0 KKAFLO O=C(CCNC(=O)Cc1cc(F)cc(F)c1)Nc1ccc(-c2cn3c(n2)sc2c3C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000082154079 562740245 /nfs/dbraw/zinc/74/02/45/562740245.db2.gz JGUAEGUISMFMDX-UHFFFAOYSA-N 1 2 585.680 5.587 1 0 KKAFLO O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(C[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082155874 562740648 /nfs/dbraw/zinc/74/06/48/562740648.db2.gz OKKWMDCWILBFFM-WJOKGBTCSA-N 1 2 641.159 5.176 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC(=O)NC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082158591 562741162 /nfs/dbraw/zinc/74/11/62/562741162.db2.gz FDSSEGMQIQFOBC-WJOKGBTCSA-N 1 2 700.063 5.730 1 0 KKAFLO COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(Cc4ccccc4)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084586831 562743450 /nfs/dbraw/zinc/74/34/50/562743450.db2.gz HUDHVXZYRHOKMU-IGKIAQTJSA-N 1 2 512.658 5.474 1 0 KKAFLO COc1ccc2cc1-c1cc(cc(Br)c1O)C[C@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@H+](C)CC3 ZINC000084596651 562743752 /nfs/dbraw/zinc/74/37/52/562743752.db2.gz FWGCIVBZBPEQOD-NSOVKSMOSA-N 1 2 655.589 7.594 1 0 KKAFLO COc1ccc2cc1-c1cc(cc(Br)c1O)C[C@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@@H+](C)CC3 ZINC000084596651 562743753 /nfs/dbraw/zinc/74/37/53/562743753.db2.gz FWGCIVBZBPEQOD-NSOVKSMOSA-N 1 2 655.589 7.594 1 0 KKAFLO Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cc(C[NH+]3CCCCC3)ns2)n1 ZINC000084632793 562745592 /nfs/dbraw/zinc/74/55/92/562745592.db2.gz OPFNFKIYQOOQMS-UHFFFAOYSA-N 1 2 563.638 5.004 1 0 KKAFLO CCOC(=O)c1c(C)nc(Nc2ccccc2Nc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084633868 562745772 /nfs/dbraw/zinc/74/57/72/562745772.db2.gz UKJGBJLEPUFWQT-UHFFFAOYSA-N 1 2 509.997 7.318 1 0 KKAFLO Cc1cn2c(-c3cnn(Cc4nc(-c5ccccc5)c[nH]4)c3)cnc2c(Nc2cc(C[NH+]3CCCCC3)ns2)n1 ZINC000084635498 562746183 /nfs/dbraw/zinc/74/61/83/562746183.db2.gz RQUYVPRGCIDFDN-UHFFFAOYSA-N 1 2 550.696 5.526 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@]4(C)CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654112 562747178 /nfs/dbraw/zinc/74/71/78/562747178.db2.gz BACUGUSQQCAJQK-LJAQVGFWSA-N 1 2 515.541 5.565 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084708794 562750222 /nfs/dbraw/zinc/75/02/22/562750222.db2.gz SESMVBDEQODYAX-XMMPIXPASA-N 1 2 569.713 6.726 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084708796 562750264 /nfs/dbraw/zinc/75/02/64/562750264.db2.gz SESMVBDEQODYAX-DEOSSOPVSA-N 1 2 569.713 6.726 1 0 KKAFLO COCCN(C(=O)c1sccc1Cl)[C@@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884065 562753079 /nfs/dbraw/zinc/75/30/79/562753079.db2.gz VYQHDBXDUIVOEH-CLJLJLNGSA-N 1 2 508.087 5.449 1 0 KKAFLO Oc1ccc(-c2cc(NCc3c[nH+]cn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679174 562753377 /nfs/dbraw/zinc/75/33/77/562753377.db2.gz LFIVESHNTJQXRN-UHFFFAOYSA-N 1 2 564.714 8.860 1 0 KKAFLO Clc1ccc(-c2ccc(Cn3c[nH+]cc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)cc1 ZINC000085679250 562753382 /nfs/dbraw/zinc/75/33/82/562753382.db2.gz KGQYUXPLQHAPSP-UHFFFAOYSA-N 1 2 583.160 9.808 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570748 562768418 /nfs/dbraw/zinc/76/84/18/562768418.db2.gz CGLNLVFPHXEQAP-RYTUXRKISA-N 1 2 653.529 7.008 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570748 562768419 /nfs/dbraw/zinc/76/84/19/562768419.db2.gz CGLNLVFPHXEQAP-RYTUXRKISA-N 1 2 653.529 7.008 1 0 KKAFLO COc1ccc(Cc2c(-c3cccc(Br)c3)[nH+]c3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095571304 562768922 /nfs/dbraw/zinc/76/89/22/562768922.db2.gz GNYVEDHWHIGLJT-UHFFFAOYSA-N 1 2 514.261 7.051 3 0 KKAFLO [NH3+]Cc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1 ZINC000095584530 562773271 /nfs/dbraw/zinc/77/32/71/562773271.db2.gz RLXRGVFOGWUZNE-UHFFFAOYSA-N 1 2 526.402 5.098 1 0 KKAFLO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCc3cc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)ccc3C2)cc1 ZINC000095593501 562776219 /nfs/dbraw/zinc/77/62/19/562776219.db2.gz PQLHGJQPPYHFFK-UWXQCODUSA-N 1 2 683.853 5.589 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603041 562780291 /nfs/dbraw/zinc/78/02/91/562780291.db2.gz LZRMYYQDLQFCEK-ZBRJBXLDSA-N 1 2 728.809 7.006 1 0 KKAFLO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603041 562780292 /nfs/dbraw/zinc/78/02/92/562780292.db2.gz LZRMYYQDLQFCEK-ZBRJBXLDSA-N 1 2 728.809 7.006 1 0 KKAFLO CCCc1[nH+]c(CC)n2c1[C@H](CCc1ccc(C(F)(F)F)cc1)N([C@@H](C(=O)NC)c1ccccc1)CC2 ZINC000095603224 562780407 /nfs/dbraw/zinc/78/04/07/562780407.db2.gz UCHOFKCDLMZEAO-AZGAKELHSA-N 1 2 512.620 5.894 1 0 KKAFLO COc1ccc(-c2[nH+]c3cc(C)c(Br)c(C)n3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000095605711 562781702 /nfs/dbraw/zinc/78/17/02/562781702.db2.gz VOPQGWLJEKLWJN-UHFFFAOYSA-N 1 2 519.361 7.007 3 0 KKAFLO CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@H](OC(=O)CC)C1CCCCC1)O[C@H](OC(=O)CC)C1CCCCC1 ZINC000095607873 562783221 /nfs/dbraw/zinc/78/32/21/562783221.db2.gz IEWXBPYCMKUMFE-OBJMGMJHSA-N 1 2 770.901 7.827 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc(C(F)(F)F)n1CCc1ccncc1 ZINC000095609972 562784113 /nfs/dbraw/zinc/78/41/13/562784113.db2.gz JMNQPINYSFYFQQ-YRCZKMHPSA-N 1 2 827.975 5.429 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc(C(F)(F)F)n1CCc1ccncc1 ZINC000095609972 562784114 /nfs/dbraw/zinc/78/41/14/562784114.db2.gz JMNQPINYSFYFQQ-YRCZKMHPSA-N 1 2 827.975 5.429 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000095696502 562788546 /nfs/dbraw/zinc/78/85/46/562788546.db2.gz GELGUSVOURHXII-UHFFFAOYSA-N 1 2 570.999 6.509 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095751760 562788801 /nfs/dbraw/zinc/78/88/01/562788801.db2.gz URUYPBZFUNKRKA-KYFCECMNSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095751760 562788802 /nfs/dbraw/zinc/78/88/02/562788802.db2.gz URUYPBZFUNKRKA-KYFCECMNSA-N 1 2 673.898 5.485 1 0 KKAFLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174076 562791628 /nfs/dbraw/zinc/79/16/28/562791628.db2.gz NFUXJCUXTYVYDI-UHFFFAOYSA-N 1 2 549.585 5.290 1 0 KKAFLO O=C(CN1CC[NH+](CCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271832 562793943 /nfs/dbraw/zinc/79/39/43/562793943.db2.gz WFJSAZFTQDCBDU-UHFFFAOYSA-N 1 2 588.708 5.522 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)CN(CC[NH+]3CCOCC3)CC2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282903 562794735 /nfs/dbraw/zinc/79/47/35/562794735.db2.gz AKZKQACYKVBMID-JHSVMATKSA-N 1 2 584.400 5.805 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@H+](CCN3CCOCC3)CC2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282903 562794736 /nfs/dbraw/zinc/79/47/36/562794736.db2.gz AKZKQACYKVBMID-JHSVMATKSA-N 1 2 584.400 5.805 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@@H+](CCN3CCOCC3)CC2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282903 562794737 /nfs/dbraw/zinc/79/47/37/562794737.db2.gz AKZKQACYKVBMID-JHSVMATKSA-N 1 2 584.400 5.805 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccccc2F)cc2c[nH]nc21 ZINC000096284728 562795299 /nfs/dbraw/zinc/79/52/99/562795299.db2.gz IHSNWRMRPHFDCL-SSEXGKCCSA-N 1 2 606.706 5.761 1 0 KKAFLO Cc1cccc(N2CC[N@@H+](Cc3cn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)nn3)C[C@@H]2C)c1 ZINC000096900937 562796992 /nfs/dbraw/zinc/79/69/92/562796992.db2.gz NXKYYPYYOUULJN-PGCXCKJESA-N 1 2 606.815 6.361 1 0 KKAFLO Cc1cccc(N2CC[N@H+](Cc3cn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)nn3)C[C@@H]2C)c1 ZINC000096900937 562796993 /nfs/dbraw/zinc/79/69/93/562796993.db2.gz NXKYYPYYOUULJN-PGCXCKJESA-N 1 2 606.815 6.361 1 0 KKAFLO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1 ZINC000096902485 562797435 /nfs/dbraw/zinc/79/74/35/562797435.db2.gz CUJHJOKOEBDUSA-OAQYLSRUSA-N 1 2 510.034 5.618 1 0 KKAFLO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1 ZINC000096902485 562797436 /nfs/dbraw/zinc/79/74/36/562797436.db2.gz CUJHJOKOEBDUSA-OAQYLSRUSA-N 1 2 510.034 5.618 1 0 KKAFLO CCCCCC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913886 562800503 /nfs/dbraw/zinc/80/05/03/562800503.db2.gz NMPDDJZYSDCZID-GDLZYMKVSA-N 1 2 603.760 5.698 1 0 KKAFLO CCCCCC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913886 562800504 /nfs/dbraw/zinc/80/05/04/562800504.db2.gz NMPDDJZYSDCZID-GDLZYMKVSA-N 1 2 603.760 5.698 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913942 562800518 /nfs/dbraw/zinc/80/05/18/562800518.db2.gz HFXHCZBJZUJSCZ-SSEXGKCCSA-N 1 2 566.698 5.750 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913942 562800519 /nfs/dbraw/zinc/80/05/19/562800519.db2.gz HFXHCZBJZUJSCZ-SSEXGKCCSA-N 1 2 566.698 5.750 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2ccnc3c(F)cccc23)cc1OC ZINC000096913933 562800524 /nfs/dbraw/zinc/80/05/24/562800524.db2.gz IBOZNHMJIUVZCA-VWLOTQADSA-N 1 2 545.611 5.189 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2ccnc3c(F)cccc23)cc1OC ZINC000096913933 562800525 /nfs/dbraw/zinc/80/05/25/562800525.db2.gz IBOZNHMJIUVZCA-VWLOTQADSA-N 1 2 545.611 5.189 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCC(F)(F)F)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913956 562800616 /nfs/dbraw/zinc/80/06/16/562800616.db2.gz YYTDLVBZAMHPRK-XMMPIXPASA-N 1 2 558.597 5.112 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCC(F)(F)F)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913956 562800617 /nfs/dbraw/zinc/80/06/17/562800617.db2.gz YYTDLVBZAMHPRK-XMMPIXPASA-N 1 2 558.597 5.112 1 0 KKAFLO O=C(CC[NH+]1CCOCC1)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1 ZINC000096923201 562801998 /nfs/dbraw/zinc/80/19/98/562801998.db2.gz ZGKLPQIPGSFZRP-UHFFFAOYSA-N 1 2 572.558 6.676 1 0 KKAFLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000098209524 562806076 /nfs/dbraw/zinc/80/60/76/562806076.db2.gz YTJXXDVLDUKYHV-LJAQVGFWSA-N 1 2 547.565 6.717 1 0 in-vitro KKAFLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696171 562811791 /nfs/dbraw/zinc/81/17/91/562811791.db2.gz GAOKFSLWKGQHNR-OYRHEFFESA-N 1 2 583.710 5.712 1 0 KKAFLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696171 562811792 /nfs/dbraw/zinc/81/17/92/562811792.db2.gz GAOKFSLWKGQHNR-OYRHEFFESA-N 1 2 583.710 5.712 1 0 KKAFLO COCC[NH+](CCOC)CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696318 562811858 /nfs/dbraw/zinc/81/18/58/562811858.db2.gz MWNVLJKXMNMWPE-UHFFFAOYSA-N 1 2 601.725 5.198 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696449 562811925 /nfs/dbraw/zinc/81/19/25/562811925.db2.gz LROPXDYNQWNIPW-UHFFFAOYSA-N 1 2 631.758 5.820 1 0 KKAFLO O=C(Nc1ccccc1)O[C@@H]1/C(=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[NH+]2CCC1CC2 ZINC000102417574 562813257 /nfs/dbraw/zinc/81/32/57/562813257.db2.gz QMROCFSZPOFYSZ-PQPBAKKCSA-N 1 2 513.619 5.562 1 0 KKAFLO Cc1ccccc1OCc1ccccc1-c1nc(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cs1 ZINC000103187461 562815457 /nfs/dbraw/zinc/81/54/57/562815457.db2.gz HHCSUPLQKOVQOX-UUWRZZSWSA-N 1 2 580.197 8.258 1 0 KKAFLO CCOC(=O)C(=O)Nc1cc(Cc2ccc(CC)cc2)cc(NC(=O)Cc2ccc(Cc3cn(Cc4ccccc4)c[nH+]3)cc2)c1 ZINC000103218845 562817309 /nfs/dbraw/zinc/81/73/09/562817309.db2.gz LYVHYPPVOHEVTO-UHFFFAOYSA-N 1 2 614.746 6.358 1 0 KKAFLO CCC(CC)C(=O)Nc1ccc(N2CC[NH+]([C@@H](C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC000103227706 562817925 /nfs/dbraw/zinc/81/79/25/562817925.db2.gz HDXLXOKQGJWRBU-AREMUKBSSA-N 1 2 566.640 5.831 1 0 KKAFLO O=C(Nc1cccc(-c2ccccc2)n1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253783 562820581 /nfs/dbraw/zinc/82/05/81/562820581.db2.gz KFSQJTNIVZWMKN-UHFFFAOYSA-N 1 2 520.677 6.137 1 0 KKAFLO CC(C)(C)Nc1nc(Nc2ccccc2)nc(OCCCCNc2nc(Nc3ccccc3)nc(NC(C)(C)C)[nH+]2)n1 ZINC000103255152 562820727 /nfs/dbraw/zinc/82/07/27/562820727.db2.gz BLPQHPFTLZPZKI-UHFFFAOYSA-N 1 2 571.734 6.236 1 0 KKAFLO Fc1ccc2[nH+]c(N[C@](Cc3ccccc3)(c3cc(F)cc(OC(F)(F)C(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1 ZINC000103261151 562821340 /nfs/dbraw/zinc/82/13/40/562821340.db2.gz CLGKMSSPTGEPGJ-HHHXNRCGSA-N 1 2 576.928 7.725 1 0 KKAFLO CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@@H]1c1ccccc1-n1cc[nH+]c1 ZINC000103268274 562822627 /nfs/dbraw/zinc/82/26/27/562822627.db2.gz PHNSNDFSSDONGG-QCENPCRXSA-N 1 2 600.789 5.680 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2ccc(NCCC[NH+]3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)nn1 ZINC000103273170 562823097 /nfs/dbraw/zinc/82/30/97/562823097.db2.gz XCYIYXBXBXMXBY-WJOKGBTCSA-N 1 2 607.180 5.149 1 0 KKAFLO COC(=O)c1ccc(-c2ccc(Cn3c(C)[nH+]c4ccc(-c5nc6ccccc6n5C)cc43)cc2)c(C(=O)OC)c1 ZINC000103279089 562823363 /nfs/dbraw/zinc/82/33/63/562823363.db2.gz JMQAFQQADGBTEL-UHFFFAOYSA-N 1 2 544.611 6.187 1 0 KKAFLO NC(=O)c1cc(-c2ccc(C[NH+]3CCOCC3)c(Cl)c2)cc2c3ccc(-c4ccc(N5CCOCC5)nc4)cc3[nH]c21 ZINC000113195259 562826326 /nfs/dbraw/zinc/82/63/26/562826326.db2.gz DHWJRBLFSQSGJU-UHFFFAOYSA-N 1 2 582.104 5.471 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(=O)n(-c5ccccc5)n(C)c4-c4ccncc4)nc3)c2cc1OC ZINC000113299168 562826472 /nfs/dbraw/zinc/82/64/72/562826472.db2.gz JZUVVTPSJAHDMJ-UHFFFAOYSA-N 1 2 574.597 5.243 1 0 in-vitro KKAFLO C[NH+](C)CCOc1ccc(Nc2c3cc(-c4cc(Cl)c(O)c(Cl)c4)ccc3ncc2S(C)(=O)=O)cn1 ZINC000114037058 562827148 /nfs/dbraw/zinc/82/71/48/562827148.db2.gz QPEDCASNEBWXGW-UHFFFAOYSA-N 1 2 547.464 5.397 1 0 KKAFLO C[N@@H+]1CCC[C@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)nc1 ZINC000114037952 562827255 /nfs/dbraw/zinc/82/72/55/562827255.db2.gz XPUUSISYMIEIRQ-VWLOTQADSA-N 1 2 517.004 6.898 1 0 KKAFLO C[N@H+]1CCC[C@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)nc1 ZINC000114037952 562827256 /nfs/dbraw/zinc/82/72/56/562827256.db2.gz XPUUSISYMIEIRQ-VWLOTQADSA-N 1 2 517.004 6.898 1 0 KKAFLO O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cc1)c1cccs1 ZINC000114980010 562828593 /nfs/dbraw/zinc/82/85/93/562828593.db2.gz ZJEKQBGSNAMQLV-NDEPHWFRSA-N 1 2 551.133 7.303 1 0 KKAFLO COC(=O)[C@@H]1CCC[N@@H+]1CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000116233825 562829294 /nfs/dbraw/zinc/82/92/94/562829294.db2.gz YYWASWTZUARRCQ-LJAQVGFWSA-N 1 2 600.651 5.328 1 0 KKAFLO COC(=O)[C@@H]1CCC[N@H+]1CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000116233825 562829295 /nfs/dbraw/zinc/82/92/95/562829295.db2.gz YYWASWTZUARRCQ-LJAQVGFWSA-N 1 2 600.651 5.328 1 0 KKAFLO Cc1c(Cc2ccccc2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093844 562830174 /nfs/dbraw/zinc/83/01/74/562830174.db2.gz OCZOBJJJHVJDCI-UHFFFAOYSA-N 1 2 500.593 6.073 1 0 KKAFLO COc1ccc(O[C@@H]2/C=C\C[C@H](O)C[C@@H]3[C@@H](C(C)C)CC=C(C)[C@@H]3C[C@@H]2OC(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000135689411 562831038 /nfs/dbraw/zinc/83/10/38/562831038.db2.gz YCXWSSLQSAJAKX-XLAQQSCZSA-N 1 2 534.697 5.757 1 0 KKAFLO Cn1c[nH+]cc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139961693 562832810 /nfs/dbraw/zinc/83/28/10/562832810.db2.gz SYJWMVWAIGMWEZ-ABWHMFLMSA-N 1 2 522.593 5.099 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(Nc3ccccc3)nc(N3CCc4cc(OC)c(OC)cc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000141025624 562833411 /nfs/dbraw/zinc/83/34/11/562833411.db2.gz KIDUCIZJWYBMGT-UHFFFAOYSA-N 1 2 629.765 6.782 1 0 KKAFLO C[C@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000142004174 562833875 /nfs/dbraw/zinc/83/38/75/562833875.db2.gz BSIUBDGVJIJBLB-LOSJGSFVSA-N 1 2 563.754 7.715 1 0 KKAFLO COc1cc(-c2cn([C@@H]3CCc4c(F)c(Br)ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000144985622 562836856 /nfs/dbraw/zinc/83/68/56/562836856.db2.gz HXLYXVBIWJFTFT-OAQYLSRUSA-N 1 2 593.379 5.432 1 0 KKAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5CC[N@H+](C6COC6)[C@H](C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146988807 562839015 /nfs/dbraw/zinc/83/90/15/562839015.db2.gz AYRMOQFMFRYWDZ-XMMPIXPASA-N 1 2 550.751 5.837 1 0 KKAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5CC[N@@H+](C6COC6)[C@H](C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146988807 562839016 /nfs/dbraw/zinc/83/90/16/562839016.db2.gz AYRMOQFMFRYWDZ-XMMPIXPASA-N 1 2 550.751 5.837 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(-c2ccc(C(C)(C)C)cc2)[nH+]1)C(=O)NCc1ccccc1 ZINC000150523004 562843575 /nfs/dbraw/zinc/84/35/75/562843575.db2.gz RDFDYXNDWVKPCI-LQJZCPKCSA-N 1 2 662.835 6.335 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH+]c(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)NCc1ccccc1 ZINC000150523004 562843576 /nfs/dbraw/zinc/84/35/76/562843576.db2.gz RDFDYXNDWVKPCI-LQJZCPKCSA-N 1 2 662.835 6.335 1 0 KKAFLO C[NH+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)[O-])cc1 ZINC000163848505 562849463 /nfs/dbraw/zinc/84/94/63/562849463.db2.gz GSBDKZDDNFVAFT-UHFFFAOYSA-N 1 2 788.960 6.770 1 0 KKAFLO Cc1cn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2[nH+]ccc(-n3cnc(-c4ccccc4)c3)c12 ZINC000169239073 562851669 /nfs/dbraw/zinc/85/16/69/562851669.db2.gz MQWQXHVWMMLEGW-UHFFFAOYSA-N 1 2 506.610 5.001 1 0 KKAFLO Fc1ccc(Nc2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCCCC3)n2)cc1 ZINC000169320887 562856539 /nfs/dbraw/zinc/85/65/39/562856539.db2.gz BZLFISKUIJYHMD-UHFFFAOYSA-N 1 2 541.034 7.433 1 0 KKAFLO CC[C@H](c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC)[N@@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329988 562858627 /nfs/dbraw/zinc/85/86/27/562858627.db2.gz HIUPQHNTPAOFKE-PGRDOPGGSA-N 1 2 562.892 5.850 1 0 KKAFLO CC[C@H](c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC)[N@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329988 562858628 /nfs/dbraw/zinc/85/86/28/562858628.db2.gz HIUPQHNTPAOFKE-PGRDOPGGSA-N 1 2 562.892 5.850 1 0 KKAFLO CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)c(F)c1 ZINC000169333363 562859292 /nfs/dbraw/zinc/85/92/92/562859292.db2.gz BUHYMMMIXQXDNJ-UHFFFAOYSA-N 1 2 573.552 6.124 1 0 KKAFLO Cc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc1 ZINC000169334389 562859489 /nfs/dbraw/zinc/85/94/89/562859489.db2.gz WTDCITYAOVFRGK-WJOKGBTCSA-N 1 2 583.783 5.770 1 0 KKAFLO CS(=O)(=O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)cc[nH+]2)c1 ZINC000169350855 562862935 /nfs/dbraw/zinc/86/29/35/562862935.db2.gz LKMOAEYSAVVRPZ-UHFFFAOYSA-N 1 2 592.624 5.798 1 0 KKAFLO COc1ccc(-c2nc3cc(-c4[nH]c5ccc(N6CCN(c7ccc(F)cc7)CC6)cc5[nH+]4)ccc3[nH]2)cc1OC ZINC000169352832 562863277 /nfs/dbraw/zinc/86/32/77/562863277.db2.gz SJFYMIMJEODTNG-UHFFFAOYSA-N 1 2 548.622 6.256 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@@H](OC(=O)CC)C1CCCCC1)O[C@@H](OC(=O)CC)C1CCCCC1 ZINC000169364744 562864402 /nfs/dbraw/zinc/86/44/02/562864402.db2.gz IEWXBPYCMKUMFE-XZEUHSQHSA-N 1 2 770.901 7.827 1 0 KKAFLO C[C@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)c1cccs1 ZINC000169700902 562867809 /nfs/dbraw/zinc/86/78/09/562867809.db2.gz PIYUHVRDXPNOIZ-KRWDZBQOSA-N 1 2 663.622 7.684 1 0 KKAFLO CC(C)[C@@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700918 562867813 /nfs/dbraw/zinc/86/78/13/562867813.db2.gz LITDEKLGONYLMN-XMMPIXPASA-N 1 2 677.546 7.448 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700925 562867847 /nfs/dbraw/zinc/86/78/47/562867847.db2.gz MIRNPXIBDXOCSW-UHFFFAOYSA-N 1 2 759.579 9.216 1 0 KKAFLO C[C@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F)C(F)(F)F ZINC000169703094 562868587 /nfs/dbraw/zinc/86/85/87/562868587.db2.gz JUDDPQGJGGXMOZ-LBPRGKRZSA-N 1 2 624.438 6.611 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NC[C@@H]3CC3(Cl)Cl)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703099 562868596 /nfs/dbraw/zinc/86/85/96/562868596.db2.gz MLCQNIFTBYXZTD-AWEZNQCLSA-N 1 2 651.369 6.854 1 0 KKAFLO O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4ncc(C(F)(F)F)c(NC5CCC5)n4)ccn32)c1 ZINC000169704656 562869096 /nfs/dbraw/zinc/86/90/96/562869096.db2.gz ALJCZZWNWNFFOK-UHFFFAOYSA-N 1 2 549.479 6.125 1 0 KKAFLO C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@@H+]1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000195211201 562871552 /nfs/dbraw/zinc/87/15/52/562871552.db2.gz QXCOKKWUUTXXNB-GDSZOJDRSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@H+]1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000195211201 562871553 /nfs/dbraw/zinc/87/15/53/562871553.db2.gz QXCOKKWUUTXXNB-GDSZOJDRSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@H+]([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000195211201 562871554 /nfs/dbraw/zinc/87/15/54/562871554.db2.gz QXCOKKWUUTXXNB-GDSZOJDRSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@@H+]([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000195211201 562871555 /nfs/dbraw/zinc/87/15/55/562871555.db2.gz QXCOKKWUUTXXNB-GDSZOJDRSA-N 1 2 780.916 9.203 1 0 KKAFLO CCCC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000200018567 562873305 /nfs/dbraw/zinc/87/33/05/562873305.db2.gz HNKRUVHECNUJTK-OAQYLSRUSA-N 1 2 527.090 5.707 1 0 KKAFLO CCCC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000200018567 562873306 /nfs/dbraw/zinc/87/33/06/562873306.db2.gz HNKRUVHECNUJTK-OAQYLSRUSA-N 1 2 527.090 5.707 1 0 KKAFLO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(-c5c[nH+]c6ccccn65)c4)o3)nc2s1 ZINC000205755934 562875891 /nfs/dbraw/zinc/87/58/91/562875891.db2.gz YTBMSCFYCBUZJQ-UHFFFAOYSA-N 1 2 523.574 6.115 1 0 KKAFLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3cc(F)ccc3[nH+]2)[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000206708767 562876491 /nfs/dbraw/zinc/87/64/91/562876491.db2.gz ONXOLONSBJTOEF-DQEYMECFSA-N 1 2 516.573 5.626 1 0 KKAFLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3ccc(Cl)cc3[nH+]2)[C@@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000206708947 562876545 /nfs/dbraw/zinc/87/65/45/562876545.db2.gz TZCXLZVWXGESIG-DQEYMECFSA-N 1 2 549.027 6.265 1 0 KKAFLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3cc(Cl)ccc3[nH+]2)[C@@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000206708947 562876546 /nfs/dbraw/zinc/87/65/46/562876546.db2.gz TZCXLZVWXGESIG-DQEYMECFSA-N 1 2 549.027 6.265 1 0 KKAFLO COC(=O)CNc1ncc(-c2cccc([C@@H](C)Nc3cc(-c4ccc5occ(C)c5c4)[nH+]c(C)n3)c2)cn1 ZINC000214686141 562877334 /nfs/dbraw/zinc/87/73/34/562877334.db2.gz AAVKROGQIYXLLU-GOSISDBHSA-N 1 2 508.582 5.722 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2-n2cc[nH+]c2)c1 ZINC000215504238 562877379 /nfs/dbraw/zinc/87/73/79/562877379.db2.gz SWFJQYMBRRLTCS-UHFFFAOYSA-N 1 2 501.515 5.364 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)(O[C@@H](OC(=O)C(C)C)C(C)C)O[C@H](OC(=O)C(C)C)C(C)C ZINC000253638462 562882454 /nfs/dbraw/zinc/88/24/54/562882454.db2.gz OOTTWKGUYINAQT-MXRMUHKCSA-N 1 2 718.825 6.470 1 0 KKAFLO CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc(-c2ccc([C@H]3CC[C@H](c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)[nH+]4)CC3)cc2)c[nH]1 ZINC000299828691 562884559 /nfs/dbraw/zinc/88/45/59/562884559.db2.gz RZPCSXZVHAZURF-VCXDZMTKSA-N 1 2 772.992 7.110 1 0 KKAFLO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OCC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299836478 562887202 /nfs/dbraw/zinc/88/72/02/562887202.db2.gz GXPXZNYXARNSJU-YRZXLHNISA-N 1 2 533.838 5.911 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccccc2Cl)CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000299838276 562887804 /nfs/dbraw/zinc/88/78/04/562887804.db2.gz UHNAXOMIEWJEQD-UHFFFAOYSA-N 1 2 622.988 5.637 1 0 KKAFLO 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)CCCN2CC[NH+](CCO)CC2)[C@@]1(C)CC3 ZINC000299867078 562894786 /nfs/dbraw/zinc/89/47/86/562894786.db2.gz PUGSXIILQKYGKP-PFRRUMKWSA-N 1 2 556.876 6.694 1 0 KKAFLO O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)NCc1cn(-c2cccc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)nn1)c1ccccc1 ZINC000473090395 562897512 /nfs/dbraw/zinc/89/75/12/562897512.db2.gz OQKYRBHKWFBDKP-ZWXJPIIXSA-N 1 2 618.097 5.361 1 0 KKAFLO O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)NCc1cn(-c2ccccc2Nc2cc[nH+]c3cc(Cl)ccc23)nn1)c1ccccc1 ZINC000473092252 562897718 /nfs/dbraw/zinc/89/77/18/562897718.db2.gz RXYKLNLHXDFGGC-ZWXJPIIXSA-N 1 2 618.097 5.361 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@H+](Cc3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473096898 562897915 /nfs/dbraw/zinc/89/79/15/562897915.db2.gz BFPMMSZDPZJVLH-IFEIANSXSA-N 1 2 593.730 8.082 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@@H+](Cc3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473096898 562897916 /nfs/dbraw/zinc/89/79/16/562897916.db2.gz BFPMMSZDPZJVLH-IFEIANSXSA-N 1 2 593.730 8.082 1 0 KKAFLO C[NH2+][C@H]1CC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000473165333 562902929 /nfs/dbraw/zinc/90/29/29/562902929.db2.gz YJHNRTYUDBDKIW-XUTJKUGGSA-N 1 2 550.490 6.572 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000473194492 562903654 /nfs/dbraw/zinc/90/36/54/562903654.db2.gz OEIGSNUMLJFEAM-BHIYHBOVSA-N 1 2 531.459 5.948 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000473194492 562903655 /nfs/dbraw/zinc/90/36/55/562903655.db2.gz OEIGSNUMLJFEAM-BHIYHBOVSA-N 1 2 531.459 5.948 1 0 KKAFLO CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3CCc3ccc(NC(=O)c4ccc(F)cc4)cn3)ccc2[nH+]c1N ZINC000584904838 562905833 /nfs/dbraw/zinc/90/58/33/562905833.db2.gz RTOUKFMBOVMEOT-UHFFFAOYSA-N 1 2 617.769 7.541 1 0 in-vitro KKAFLO Cc1coc2ccc(-c3cc(N[C@H](C)c4cccc(OC[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)c4)nc(C)[nH+]3)cc12 ZINC000653671260 562906133 /nfs/dbraw/zinc/90/61/33/562906133.db2.gz DUEPTQHWTWJJTR-ISKFKSNPSA-N 1 2 556.707 7.706 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653708700 562907993 /nfs/dbraw/zinc/90/79/93/562907993.db2.gz VYOANIJCLMXOJY-UHFFFAOYSA-N 1 2 631.577 7.198 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccc3)n2)cc1 ZINC000653714185 562908328 /nfs/dbraw/zinc/90/83/28/562908328.db2.gz MNJFEHWLYANFQC-UHFFFAOYSA-N 1 2 547.581 6.299 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C)c3)n2)cc1 ZINC000653716031 562908489 /nfs/dbraw/zinc/90/84/89/562908489.db2.gz WDVOOJSCALJCJN-UHFFFAOYSA-N 1 2 551.573 5.032 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCN3CC[NH+](C)CC3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653752995 562910791 /nfs/dbraw/zinc/91/07/91/562910791.db2.gz AYBOXDRWQNSUGF-UHFFFAOYSA-N 1 2 683.879 5.395 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)N[C@@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653758332 562911109 /nfs/dbraw/zinc/91/11/09/562911109.db2.gz INTREKWVCPCQBT-PMERELPUSA-N 1 2 585.712 6.310 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C(C)C)[NH+]=C3N=CNN3[C@H]2c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 ZINC000653757835 562911137 /nfs/dbraw/zinc/91/11/37/562911137.db2.gz OEINQNVWNIBDKU-NDEPHWFRSA-N 1 2 551.054 5.704 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)Nc3ccccn3)=C(C(C)C)[NH+]=C3N=CNN32)cc1 ZINC000653766977 562911691 /nfs/dbraw/zinc/91/16/91/562911691.db2.gz SWLGVKBHGJDCPW-NDEPHWFRSA-N 1 2 516.609 5.051 1 0 KKAFLO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N(C)C(=O)C[NH+](C)C)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822621 562914176 /nfs/dbraw/zinc/91/41/76/562914176.db2.gz FARNSAZMRIPYES-CQSZACIVSA-N 1 2 538.439 5.472 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1)Nc1ccc(COc2ccc3nc(NCC[NH+]4CCOCC4)oc3c2)cc1 ZINC000653829445 562914477 /nfs/dbraw/zinc/91/44/77/562914477.db2.gz GZADLZDJISKUTO-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO O=C(Nc1ccc(COc2ccc3oc(NCC[NH+]4CCOCC4)nc3c2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000653831418 562914594 /nfs/dbraw/zinc/91/45/94/562914594.db2.gz YJXCOFNDTRZXAD-UHFFFAOYSA-N 1 2 556.450 6.102 1 0 KKAFLO CC[C@H]1CCCC[C@@H]1CCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631372 565163606 /nfs/dbraw/zinc/16/36/06/565163606.db2.gz LCHXZVDIUAWDJA-QZEUADHGSA-N 1 2 642.817 5.690 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631549 565165490 /nfs/dbraw/zinc/16/54/90/565165490.db2.gz BGCLWRJDVCZONY-QUQGEDSUSA-N 1 2 634.838 6.074 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(O)=C(O)C(=O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631549 565165494 /nfs/dbraw/zinc/16/54/94/565165494.db2.gz BGCLWRJDVCZONY-QUQGEDSUSA-N 1 2 634.838 6.074 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(=O)C(O)=C(O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631549 565165498 /nfs/dbraw/zinc/16/54/98/565165498.db2.gz BGCLWRJDVCZONY-QUQGEDSUSA-N 1 2 634.838 6.074 1 0 biogenic,in-vitro KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@@H](c2ccccc2Cl)C1C(=O)OC ZINC000001492557 561676406 /nfs/dbraw/zinc/67/64/06/561676406.db2.gz WEERJQGKCDGLBG-OAUQLRMZSA-N 1 2 543.023 6.331 1 0 KKAFLO COC(C)(C)/C=C/c1[nH]c2ccccc2c1CC(=O)NCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000005544658 561696722 /nfs/dbraw/zinc/69/67/22/561696722.db2.gz BBJLJOMWQNJXLB-WJTDDFOZSA-N 1 2 608.786 7.544 1 0 KKAFLO Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2cccc3c2n1[C@H](C[NH+]1CCOCC1)CO3 ZINC000013447507 561713252 /nfs/dbraw/zinc/71/32/52/561713252.db2.gz UAXKWURORIRMBX-GOSISDBHSA-N 1 2 505.412 5.362 1 0 KKAFLO CCOC(=O)N1CC[NH+]([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000013487414 561715165 /nfs/dbraw/zinc/71/51/65/561715165.db2.gz IMMRQJKFAMQIFK-NRFANRHFSA-N 1 2 504.471 5.756 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@H+](C)C[C@@H](C)O)c1Cl ZINC000014963062 561748783 /nfs/dbraw/zinc/74/87/83/561748783.db2.gz LAIGHZMYXBMUOH-GFCCVEGCSA-N 1 2 557.887 5.429 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@@H+](C)C[C@@H](C)O)c1Cl ZINC000014963062 561748784 /nfs/dbraw/zinc/74/87/84/561748784.db2.gz LAIGHZMYXBMUOH-GFCCVEGCSA-N 1 2 557.887 5.429 1 0 KKAFLO CC(C)(C)C(=O)O[C@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022580987 561759473 /nfs/dbraw/zinc/75/94/73/561759473.db2.gz YBEIFGQJPMCNPV-DEOSSOPVSA-N 1 2 580.705 5.088 1 0 KKAFLO O=C(CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000022927593 561759936 /nfs/dbraw/zinc/75/99/36/561759936.db2.gz VHTSWEQHQDCFER-UHFFFAOYSA-N 1 2 507.472 5.446 1 0 KKAFLO O=C(CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000022927593 561759938 /nfs/dbraw/zinc/75/99/38/561759938.db2.gz VHTSWEQHQDCFER-UHFFFAOYSA-N 1 2 507.472 5.446 1 0 KKAFLO COc1ccc(-c2nc(SCCCCCN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3F)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000026019297 561766668 /nfs/dbraw/zinc/76/66/68/561766668.db2.gz LPADDMYZAKVZBR-UHFFFAOYSA-N 1 2 665.807 7.168 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CSC1CCCCC1 ZINC000026275827 561778172 /nfs/dbraw/zinc/77/81/72/561778172.db2.gz ZFLXSLWPWICHNH-RTNMLALUSA-N 1 2 669.933 5.455 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CSC1CCCCC1 ZINC000026275827 561778173 /nfs/dbraw/zinc/77/81/73/561778173.db2.gz ZFLXSLWPWICHNH-RTNMLALUSA-N 1 2 669.933 5.455 1 0 KKAFLO CCCCc1[nH+]c2ccccc2n1Cc1ccc(I)c(O)c1I ZINC000026281192 561779009 /nfs/dbraw/zinc/77/90/09/561779009.db2.gz VNAIDXJADKGNQX-UHFFFAOYSA-N 1 2 532.163 5.342 1 0 KKAFLO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2cccnc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026290991 561780540 /nfs/dbraw/zinc/78/05/40/561780540.db2.gz LKKZEVHPQQRQBP-UHFFFAOYSA-N 1 2 652.771 6.461 1 0 KKAFLO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2cccnc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026290991 561780541 /nfs/dbraw/zinc/78/05/41/561780541.db2.gz LKKZEVHPQQRQBP-UHFFFAOYSA-N 1 2 652.771 6.461 1 0 KKAFLO CN1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)[NH+]=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026575445 561799124 /nfs/dbraw/zinc/79/91/24/561799124.db2.gz KXEWJEHLSYDHHW-HSZRJFAPSA-N 1 2 504.439 5.473 1 0 KKAFLO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc(C)c(=O)n(C)c2)c1 ZINC000026576918 561800824 /nfs/dbraw/zinc/80/08/24/561800824.db2.gz PAVQIUDVWQYFLR-NGFHQYDQSA-N 1 2 606.855 7.073 1 0 KKAFLO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCN(C(=O)CCCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026577299 561801419 /nfs/dbraw/zinc/80/14/19/561801419.db2.gz XAUQKBCUTHUAFO-UHFFFAOYSA-N 1 2 730.372 5.940 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)c(F)c1)c1ccccc1-c1ccccc1 ZINC000026663393 561810704 /nfs/dbraw/zinc/81/07/04/561810704.db2.gz HSDDTGMGJRTAES-RUZDIDTESA-N 1 2 537.660 6.323 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)c(F)c1)c1ccccc1-c1ccccc1 ZINC000026663393 561810705 /nfs/dbraw/zinc/81/07/05/561810705.db2.gz HSDDTGMGJRTAES-RUZDIDTESA-N 1 2 537.660 6.323 1 0 KKAFLO C[NH+]1CCC([C@@H](NC(=O)c2cc3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000026668723 561811804 /nfs/dbraw/zinc/81/18/04/561811804.db2.gz YKYRJWSUVQGPPU-JGCGQSQUSA-N 1 2 564.133 6.593 1 0 KKAFLO CCOC(=O)C1=C(COCCn2c(C)[nH+]c3ccccc32)NC(C)=C(C(=O)NC(C)(C)C)[C@H]1c1ccccc1Cl ZINC000026834517 561823847 /nfs/dbraw/zinc/82/38/47/561823847.db2.gz CWWHGYKGRHDFBA-TVLNSTGRSA-N 1 2 565.114 6.248 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@H](c2ccccc2Cl)C1C(=O)OC ZINC000026846294 561826509 /nfs/dbraw/zinc/82/65/09/561826509.db2.gz WEERJQGKCDGLBG-VOUPIIBTSA-N 1 2 543.023 6.331 1 0 KKAFLO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(C[N@H+](C)Cc3ccco3)n2c1=O ZINC000027099323 561838428 /nfs/dbraw/zinc/83/84/28/561838428.db2.gz UEQGUDFYRACBAE-UHFFFAOYSA-N 1 2 561.585 5.505 1 0 KKAFLO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(C[N@@H+](C)Cc3ccco3)n2c1=O ZINC000027099323 561838429 /nfs/dbraw/zinc/83/84/29/561838429.db2.gz UEQGUDFYRACBAE-UHFFFAOYSA-N 1 2 561.585 5.505 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CCCSc1ccccn1 ZINC000027102501 561839133 /nfs/dbraw/zinc/83/91/33/561839133.db2.gz SQVHGRVONUSHGR-OKDNLZPVSA-N 1 2 692.927 5.357 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CCCSc1ccccn1 ZINC000027102501 561839136 /nfs/dbraw/zinc/83/91/36/561839136.db2.gz SQVHGRVONUSHGR-OKDNLZPVSA-N 1 2 692.927 5.357 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(C)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027204394 561845698 /nfs/dbraw/zinc/84/56/98/561845698.db2.gz BWYSMJKVKAAMNK-USHMODERSA-N 1 2 542.680 5.974 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc3ccccc3c2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027210559 561847048 /nfs/dbraw/zinc/84/70/48/561847048.db2.gz WVOPASLTPNSNDT-YQYKVWLJSA-N 1 2 578.713 6.819 1 0 KKAFLO O=C(CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(Oc1ccccc1)Oc1ccccc1)O[C@H]1CCc2ccccc21 ZINC000027558027 561870008 /nfs/dbraw/zinc/87/00/08/561870008.db2.gz IQQAVYLNAMYSPL-UWXQCODUSA-N 1 2 674.734 7.900 1 0 KKAFLO CN(Cc1ccc2ccccc2c1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027864636 561887573 /nfs/dbraw/zinc/88/75/73/561887573.db2.gz WUFNRPZFAQJKKI-MHZLTWQESA-N 1 2 577.578 7.082 1 0 KKAFLO O=C(Nc1ccc(Oc2ccnc(C(=O)NCC[NH+]3CCOCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000027870691 561888212 /nfs/dbraw/zinc/88/82/12/561888212.db2.gz AUTBEBGXOWIDJI-UHFFFAOYSA-N 1 2 563.964 5.252 1 0 KKAFLO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3sccc3Cl)CC2)C[C@H]1C ZINC000027879183 561888897 /nfs/dbraw/zinc/88/88/97/561888897.db2.gz VZFLBFJYJBDSCT-RTWAWAEBSA-N 1 2 616.205 5.335 1 0 KKAFLO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3sccc3Cl)CC2)C[C@H]1C ZINC000027879183 561888898 /nfs/dbraw/zinc/88/88/98/561888898.db2.gz VZFLBFJYJBDSCT-RTWAWAEBSA-N 1 2 616.205 5.335 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CC[NH+]([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027996121 561893906 /nfs/dbraw/zinc/89/39/06/561893906.db2.gz WOZFIAXXAOZQSD-KMRXNPHXSA-N 1 2 539.120 5.104 1 0 KKAFLO CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1 ZINC000028134568 561906248 /nfs/dbraw/zinc/90/62/48/561906248.db2.gz BVXBVMYTIQBMPV-UHFFFAOYSA-N 1 2 515.557 5.358 1 0 KKAFLO CC(=O)N(C)[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1 ZINC000028342052 561914280 /nfs/dbraw/zinc/91/42/80/561914280.db2.gz VWDMVVKQHNPLEH-HXUWFJFHSA-N 1 2 529.584 5.747 1 0 KKAFLO OCC1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1 ZINC000028348158 561915146 /nfs/dbraw/zinc/91/51/46/561915146.db2.gz HYBFJADVMPQZEV-UHFFFAOYSA-N 1 2 502.558 5.899 1 0 KKAFLO CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCC(c4nn[nH]n4)CC3)c2)cc1C(F)(F)F ZINC000028355959 561916256 /nfs/dbraw/zinc/91/62/56/561916256.db2.gz LAGKCZDXFAJYPU-UHFFFAOYSA-N 1 2 524.616 6.939 1 0 KKAFLO CC(C)(C)OC(=O)NCCCCC[NH+]=C1Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028365456 561917508 /nfs/dbraw/zinc/91/75/08/561917508.db2.gz BMCLTRZPRHKBKB-PGUFJCEWSA-N 1 2 631.821 7.894 1 0 KKAFLO CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)[NH2+]C[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c32)cc1 ZINC000028455914 561923673 /nfs/dbraw/zinc/92/36/73/561923673.db2.gz WKBLQNSAOBQMPB-PIKZIKFNSA-N 1 2 683.830 5.229 1 0 KKAFLO C[C@H](Cc1c[nH]c2c1cccc2OCc1ccccc1)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000028457914 561924274 /nfs/dbraw/zinc/92/42/74/561924274.db2.gz DWPUALIYKUCWGW-ZBLYBZFDSA-N 1 2 561.729 5.863 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2cc(Cl)cc(Cl)c2)cc1 ZINC000028522984 561929819 /nfs/dbraw/zinc/92/98/19/561929819.db2.gz DCPAXQQJNAEXJW-AREMUKBSSA-N 1 2 559.490 5.509 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2ccc(C(F)(F)F)cc2)cc1 ZINC000028524139 561930709 /nfs/dbraw/zinc/93/07/09/561930709.db2.gz JPNLUTWWAAJFHI-AREMUKBSSA-N 1 2 558.597 5.221 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2ccc(C)c(Cl)c2)cc1 ZINC000028524661 561930841 /nfs/dbraw/zinc/93/08/41/561930841.db2.gz QQURHVSYCUIBEE-AREMUKBSSA-N 1 2 539.072 5.164 1 0 KKAFLO CCCOC(=O)/C1=C/[C@H]2[C@@H](C[C@H](OC(=O)/C=C/c3cn(C)c[nH+]3)[C@]3(C)C=C[C@@]1(OC)O3)C(C)=CC[C@@H]2C(C)C ZINC000028526627 561932181 /nfs/dbraw/zinc/93/21/81/561932181.db2.gz YYRYDGANQRSQID-VJOROMODSA-N 1 2 538.685 5.171 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCCCN3CCC)cc1 ZINC000028571063 561939238 /nfs/dbraw/zinc/93/92/38/561939238.db2.gz VESCHKKPSXNEJA-IXLORIGOSA-N 1 2 696.958 8.886 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCCCCN3CCC)cc1 ZINC000028572020 561939771 /nfs/dbraw/zinc/93/97/71/561939771.db2.gz UGKLSFKNMZXTGK-IUBZCEPUSA-N 1 2 710.985 9.276 1 0 KKAFLO Cn1c[nH+]cc1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1 ZINC000028712115 561952668 /nfs/dbraw/zinc/95/26/68/561952668.db2.gz HDGFQGNDTIVLBZ-AREMUKBSSA-N 1 2 535.974 5.367 1 0 KKAFLO O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028767545 561959990 /nfs/dbraw/zinc/95/99/90/561959990.db2.gz OFGIVYUDGWDUBS-UHFFFAOYSA-N 1 2 553.972 6.641 1 0 KKAFLO COc1ccccc1N1CCN(C(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028767658 561960055 /nfs/dbraw/zinc/96/00/55/561960055.db2.gz GGJMCRVUQBWNMR-UHFFFAOYSA-N 1 2 506.528 5.968 1 0 KKAFLO O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028767768 561960081 /nfs/dbraw/zinc/96/00/81/561960081.db2.gz XIBOXUBIHKHNLG-UHFFFAOYSA-N 1 2 538.957 6.249 1 0 KKAFLO O=C(NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000028822130 561966623 /nfs/dbraw/zinc/96/66/23/561966623.db2.gz JXUFFSVTTKFZEJ-UHFFFAOYSA-N 1 2 576.894 5.969 1 0 KKAFLO O=C(NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000028822136 561966733 /nfs/dbraw/zinc/96/67/33/561966733.db2.gz VKWCQDVRWAFFKO-UHFFFAOYSA-N 1 2 662.239 7.790 1 0 KKAFLO Cc1ncc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cn1 ZINC000028899825 561979627 /nfs/dbraw/zinc/97/96/27/561979627.db2.gz FRPYEOALLMIMQH-UHFFFAOYSA-N 1 2 576.705 5.960 1 0 KKAFLO Nc1ccccc1NC(=O)c1cc2ccc([C@@H]([NH2+]Cc3cccnc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976343 561986859 /nfs/dbraw/zinc/98/68/59/561986859.db2.gz OGQTXRUVOBITHX-MUUNZHRXSA-N 1 2 521.646 5.278 1 0 KKAFLO CC(=O)N(Cc1ccccc1Cl)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000029399012 562019292 /nfs/dbraw/zinc/01/92/92/562019292.db2.gz RVPQJRAPQSRRCJ-RUZDIDTESA-N 1 2 556.066 5.162 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000033825159 562037724 /nfs/dbraw/zinc/03/77/24/562037724.db2.gz RPRLKZRXRPHBLA-UHFFFAOYSA-N 1 2 521.448 6.264 1 0 KKAFLO C[C@@H](OCC1(c2ccccc2)CC([NH2+]Cc2n[nH]c(=O)[nH]2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034380107 562038874 /nfs/dbraw/zinc/03/88/74/562038874.db2.gz BHOBTAHATOPTPK-QDAZHVTCSA-N 1 2 514.470 5.516 1 0 KKAFLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000034803893 562042850 /nfs/dbraw/zinc/04/28/50/562042850.db2.gz OBLWMYNSTHSSDS-UHFFFAOYSA-N 1 2 503.488 5.721 1 0 KKAFLO Cn1c2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2[nH+]c1Nc1cccc(C(C)(C)C)c1 ZINC000034983916 562044198 /nfs/dbraw/zinc/04/41/98/562044198.db2.gz SCUGTCMSRMQNNQ-UHFFFAOYSA-N 1 2 506.532 7.211 1 0 KKAFLO O=C(Nc1cccc(-c2cnco2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000035261467 562044977 /nfs/dbraw/zinc/04/49/77/562044977.db2.gz BAJDIRUBEAHUOL-UHFFFAOYSA-N 1 2 510.638 5.730 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccc(F)cc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000036160584 562048519 /nfs/dbraw/zinc/04/85/19/562048519.db2.gz YHJMQEBMDVYYBG-LXANVCGNSA-N 1 2 644.832 7.209 1 0 KKAFLO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)CO)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331656 562056763 /nfs/dbraw/zinc/05/67/63/562056763.db2.gz YNVMGUYWLCGECX-UHFFFAOYSA-N 1 2 629.729 6.458 1 0 KKAFLO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)CO)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331656 562056765 /nfs/dbraw/zinc/05/67/65/562056765.db2.gz YNVMGUYWLCGECX-UHFFFAOYSA-N 1 2 629.729 6.458 1 0 KKAFLO Cc1cccc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)c1 ZINC000036338819 562057291 /nfs/dbraw/zinc/05/72/91/562057291.db2.gz XXYYDISQRRATPH-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(C[NH+]5CCN(C)CC5)cc3-4)s2)c1 ZINC000036338819 562057293 /nfs/dbraw/zinc/05/72/93/562057293.db2.gz XXYYDISQRRATPH-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO CN1CC[NH+](Cc2cnc3c(cccc3Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)c2)CC1 ZINC000036351725 562059206 /nfs/dbraw/zinc/05/92/06/562059206.db2.gz VFDUOJZCECYJQM-UHFFFAOYSA-N 1 2 516.070 5.122 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NCC[NH+]3CCOCC3)ncc2c1 ZINC000036758602 562061441 /nfs/dbraw/zinc/06/14/41/562061441.db2.gz HQMQBWSLPHAVOU-UHFFFAOYSA-N 1 2 549.597 5.929 1 0 KKAFLO COc1cc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000038140560 562063063 /nfs/dbraw/zinc/06/30/63/562063063.db2.gz VNKNBIXLMCMPSQ-QHCPKHFHSA-N 1 2 575.658 5.357 3 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000038157238 562068616 /nfs/dbraw/zinc/06/86/16/562068616.db2.gz FJGKVFWXFGAENH-BWKNWUBXSA-N 1 2 559.585 5.799 1 0 KKAFLO CC1=NC(=O)N(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000038157238 562068618 /nfs/dbraw/zinc/06/86/18/562068618.db2.gz FJGKVFWXFGAENH-BWKNWUBXSA-N 1 2 559.585 5.799 1 0 KKAFLO FC(F)(F)c1ccc2[nH+]c(N3CCN(c4ncccc4C(F)(F)F)CC3)n(Cc3ccccc3)c2c1 ZINC000038157655 562069456 /nfs/dbraw/zinc/06/94/56/562069456.db2.gz LCODEYMRFPTFAC-UHFFFAOYSA-N 1 2 505.466 5.844 1 0 KKAFLO O=C(O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000040380299 562073453 /nfs/dbraw/zinc/07/34/53/562073453.db2.gz IADMULLWDVKTFY-AVWDPNAHSA-N 1 2 529.684 6.351 1 0 KKAFLO O=C(c1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1)N1CCCCC1 ZINC000040425026 562076408 /nfs/dbraw/zinc/07/64/08/562076408.db2.gz NDEDVJDUXLPYFQ-UHFFFAOYSA-N 1 2 526.684 7.504 1 0 KKAFLO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000040585303 562078422 /nfs/dbraw/zinc/07/84/22/562078422.db2.gz QESJLHYYEYPTPW-QHHAFSJGSA-N 1 2 516.256 5.279 1 0 KKAFLO Nc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(-c2cncs2)c(-c2ccccc2)c1 ZINC000040952506 562086364 /nfs/dbraw/zinc/08/63/64/562086364.db2.gz UMFCZJAHFBTGDQ-UHFFFAOYSA-N 1 2 513.670 7.583 1 0 KKAFLO C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)[nH+]c2)[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594653 560064297 /nfs/dbraw/zinc/06/42/97/560064297.db2.gz LSRDTOOVXYRYEK-DZZVHSRBSA-N 1 2 566.654 5.025 1 0 biogenic,in-vitro KKAFLO CC[C@H](CO)CC[C@@H](C[C@@H](CCc1cc(OC2CCCC2)c(O)cc1-c1cc[nH+]c(N)c1)OC(C)=O)OC(C)=O ZINC000085629427 560068380 /nfs/dbraw/zinc/06/83/80/560068380.db2.gz JCKDDEOJGDLZHS-WDDWZANVSA-N 1 2 556.700 5.343 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C=C[C@@H]3CCC[C@H]2C3)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629423 560068427 /nfs/dbraw/zinc/06/84/27/560068427.db2.gz AWSQRWUXLSBGNK-FPZILHFYSA-N 1 2 522.642 5.224 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@H](CO)CCC[C@H](CC(C)C)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629336 560068554 /nfs/dbraw/zinc/06/85/54/560068554.db2.gz JEALBLPLPTVWOB-QUAUSCBRSA-N 1 2 598.781 6.082 1 0 biogenic,in-vitro KKAFLO COc1ccc(C)cc1Oc1ccc(C[C@H]2c3c(ccc4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CC[N@H+]2C)cc1 ZINC000085530164 560073590 /nfs/dbraw/zinc/07/35/90/560073590.db2.gz BHOSIUALPXEMTH-MHZLTWQESA-N 1 2 562.666 7.094 1 0 biogenic,in-vitro KKAFLO COc1ccc(C)cc1Oc1ccc(C[C@H]2c3c(ccc4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CC[N@@H+]2C)cc1 ZINC000085530164 560073592 /nfs/dbraw/zinc/07/35/92/560073592.db2.gz BHOSIUALPXEMTH-MHZLTWQESA-N 1 2 562.666 7.094 1 0 biogenic,in-vitro KKAFLO CC[C@H](Nc1cc(NC2CCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043067280 562645422 /nfs/dbraw/zinc/64/54/22/562645422.db2.gz QDAHKJZWXXZVJO-ZEQRLZLVSA-N 1 2 513.911 7.464 1 0 KKAFLO CC[C@H](Nc1cc(NC2CCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043067280 562645423 /nfs/dbraw/zinc/64/54/23/562645423.db2.gz QDAHKJZWXXZVJO-ZEQRLZLVSA-N 1 2 513.911 7.464 1 0 KKAFLO Cc1ccc(C(=O)Nc2cc(-n3cc[nH+]c3)cc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043075763 562645678 /nfs/dbraw/zinc/64/56/78/562645678.db2.gz VPICTYHNLMNLMP-SOFGYWHQSA-N 1 2 544.541 5.794 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(NC(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)nn(C)c4c3)c2cc1OC ZINC000044307877 562654121 /nfs/dbraw/zinc/65/41/21/562654121.db2.gz GHZICDMSGLVSAM-UHFFFAOYSA-N 1 2 590.480 7.221 1 0 KKAFLO O=C(OC1CCCCC1)c1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000044308272 562654237 /nfs/dbraw/zinc/65/42/37/562654237.db2.gz DBCPFZONHDTDNU-UHFFFAOYSA-N 1 2 541.695 8.367 1 0 KKAFLO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN=C5C2)CC[N@H+]1C ZINC000044350745 562654388 /nfs/dbraw/zinc/65/43/88/562654388.db2.gz KRRIBHWRCGOGAF-MHZLTWQESA-N 1 2 560.650 7.067 1 0 KKAFLO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN=C5C2)CC[N@@H+]1C ZINC000044350745 562654389 /nfs/dbraw/zinc/65/43/89/562654389.db2.gz KRRIBHWRCGOGAF-MHZLTWQESA-N 1 2 560.650 7.067 1 0 KKAFLO COc1ccc(C(OCC[NH2+]Cc2c(F)cc(F)c(O)c2F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000044418554 562657301 /nfs/dbraw/zinc/65/73/01/562657301.db2.gz FLIZTQMKECDUSC-UHFFFAOYSA-N 1 2 553.577 5.934 1 0 KKAFLO O=C(NCc1ccccc1)c1c[nH+]c(NCCC(c2ccccc2)c2ccccc2)nc1NCC1CCCCC1 ZINC000045334402 562661243 /nfs/dbraw/zinc/66/12/43/562661243.db2.gz BEDJKIHOMGXRRT-UHFFFAOYSA-N 1 2 533.720 7.033 1 0 KKAFLO CC(C)(CC(=O)NC1CCCCC1)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338095 562661484 /nfs/dbraw/zinc/66/14/84/562661484.db2.gz NDVMMLBGSCTHNJ-GDLZYMKVSA-N 1 2 510.122 5.829 1 0 KKAFLO CC[C@@H]1[C@@H](C)CN(c2[nH+]c3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@@H]1C ZINC000045368790 562662186 /nfs/dbraw/zinc/66/21/86/562662186.db2.gz UJYZSAKJRRAVME-WMTXJRDZSA-N 1 2 517.758 7.707 1 0 KKAFLO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)s2)CC1 ZINC000048308880 562663170 /nfs/dbraw/zinc/66/31/70/562663170.db2.gz SXBMYVYETIFOHH-UHFFFAOYSA-N 1 2 558.535 5.857 1 0 KKAFLO C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000049669639 562668132 /nfs/dbraw/zinc/66/81/32/562668132.db2.gz AOIWJAFRJNGOTJ-GDLZYMKVSA-N 1 2 678.787 9.027 1 0 KKAFLO O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049679217 562668812 /nfs/dbraw/zinc/66/88/12/562668812.db2.gz YIYLAYRSJCHOLQ-UHFFFAOYSA-N 1 2 608.401 7.126 1 0 KKAFLO C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C(=O)OCc1ccccc1 ZINC000049695051 562670137 /nfs/dbraw/zinc/67/01/37/562670137.db2.gz GLMGQTWNDCMBGO-UKJJDJLKSA-N 1 2 626.721 6.324 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)OCC)cc1 ZINC000049695141 562670230 /nfs/dbraw/zinc/67/02/30/562670230.db2.gz HMIBJCMIYOKVEY-KDXMTYKHSA-N 1 2 630.789 7.873 1 0 KKAFLO CCCCc1[nH+]cc(COC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000049710214 562671558 /nfs/dbraw/zinc/67/15/58/562671558.db2.gz MNJMLCXSLBFGDW-PSXMRANNSA-N 1 2 620.754 6.579 1 0 KKAFLO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21)N(CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049711003 562671903 /nfs/dbraw/zinc/67/19/03/562671903.db2.gz JRGVHFLSVSYVLX-UHFFFAOYSA-N 1 2 685.697 7.461 1 0 KKAFLO COc1cc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000049746348 562674394 /nfs/dbraw/zinc/67/43/94/562674394.db2.gz RFHHKLHLLXMGOX-UUWRZZSWSA-N 1 2 550.699 6.168 1 0 KKAFLO COc1cc(Nc2nc(NCCCCCCNc3cnc4cc(Cl)ccc4c3)[nH+]c(N3CCOCC3)n2)cc(OC)c1 ZINC000049756852 562675249 /nfs/dbraw/zinc/67/52/49/562675249.db2.gz YRUSFFNGJFIJLI-UHFFFAOYSA-N 1 2 593.132 5.755 1 0 KKAFLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049757447 562676014 /nfs/dbraw/zinc/67/60/14/562676014.db2.gz NOJWVQHMJIGYRV-UMSFTDKQSA-N 1 2 582.704 6.250 1 0 KKAFLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049757448 562676036 /nfs/dbraw/zinc/67/60/36/562676036.db2.gz NOJWVQHMJIGYRV-UUWRZZSWSA-N 1 2 582.704 6.250 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049771204 562678049 /nfs/dbraw/zinc/67/80/49/562678049.db2.gz RYSYSMTZIBDICU-AYWVHJORSA-N 1 2 689.030 7.474 1 0 KKAFLO COc1cc(C[NH+]2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000049777893 562680658 /nfs/dbraw/zinc/68/06/58/562680658.db2.gz KMJUKMWZQZRWHI-UHFFFAOYSA-N 1 2 552.662 6.027 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4cc(F)ccc4Br)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049853681 562689079 /nfs/dbraw/zinc/68/90/79/562689079.db2.gz KJHSVFMUVAEJEB-MXBOTTGLSA-N 1 2 715.491 7.444 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(O[C@H](OC(=O)CC)C(C)C)O[C@H](OC(=O)CC)C(C)C ZINC000049902409 562693354 /nfs/dbraw/zinc/69/33/54/562693354.db2.gz PCIXYACOCPEPNF-LCFCVFAESA-N 1 2 690.771 5.978 1 0 KKAFLO CCN1CC[NH+](Cc2ccc3nc(-c4cc(C)n(Cc5cc(Cl)ccc5OCc5ccccc5)n4)[nH]c3c2)CC1 ZINC000049917567 562693570 /nfs/dbraw/zinc/69/35/70/562693570.db2.gz CKSCNJHXOYHRFM-UHFFFAOYSA-N 1 2 555.126 6.153 1 0 KKAFLO CCN1CC[NH+](Cc2ccc3[nH]c(-c4cc(C)n(Cc5cc(Cl)ccc5OCc5ccccc5)n4)nc3c2)CC1 ZINC000049917567 562693569 /nfs/dbraw/zinc/69/35/69/562693569.db2.gz CKSCNJHXOYHRFM-UHFFFAOYSA-N 1 2 555.126 6.153 1 0 KKAFLO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938374 562695241 /nfs/dbraw/zinc/69/52/41/562695241.db2.gz UUQOPEBRBPSXOI-UHFFFAOYSA-N 1 2 641.784 8.122 1 0 KKAFLO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938374 562695242 /nfs/dbraw/zinc/69/52/42/562695242.db2.gz UUQOPEBRBPSXOI-UHFFFAOYSA-N 1 2 641.784 8.122 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCCN3CCC)cc1 ZINC000053259552 562696891 /nfs/dbraw/zinc/69/68/91/562696891.db2.gz NULMTHNUHZPDMN-GGCSAXROSA-N 1 2 682.931 8.496 1 0 KKAFLO CSCC[C@H]([NH2+]CCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058591633 562700505 /nfs/dbraw/zinc/70/05/05/562700505.db2.gz MICWAXYRKUEQSA-LJAQVGFWSA-N 1 2 567.711 6.070 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)c(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185157 562701800 /nfs/dbraw/zinc/70/18/00/562701800.db2.gz MFGLLIAYPYACQK-LJAQVGFWSA-N 1 2 631.202 5.790 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)c(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185157 562701801 /nfs/dbraw/zinc/70/18/01/562701801.db2.gz MFGLLIAYPYACQK-LJAQVGFWSA-N 1 2 631.202 5.790 1 0 KKAFLO Cn1c2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2[nH+]c1Nc1cccc(C(F)(F)F)c1 ZINC000059767145 562702198 /nfs/dbraw/zinc/70/21/98/562702198.db2.gz DVJYMPYLFMEZMR-UHFFFAOYSA-N 1 2 518.421 6.932 1 0 KKAFLO Fc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064447091 562705328 /nfs/dbraw/zinc/70/53/28/562705328.db2.gz UEMMXLHHQNSAQG-SFTDATJTSA-N 1 2 517.568 5.114 1 0 KKAFLO Fc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064447091 562705329 /nfs/dbraw/zinc/70/53/29/562705329.db2.gz UEMMXLHHQNSAQG-SFTDATJTSA-N 1 2 517.568 5.114 1 0 KKAFLO Fc1cc(C[N@@H+]2C[C@H]3C[C@@H]2CO3)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064447092 562705364 /nfs/dbraw/zinc/70/53/64/562705364.db2.gz UEMMXLHHQNSAQG-NHCUHLMSSA-N 1 2 517.568 5.114 1 0 KKAFLO Fc1cc(C[N@H+]2C[C@H]3C[C@@H]2CO3)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064447092 562705365 /nfs/dbraw/zinc/70/53/65/562705365.db2.gz UEMMXLHHQNSAQG-NHCUHLMSSA-N 1 2 517.568 5.114 1 0 KKAFLO O=C1C(Cl)=C(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000064480327 562705860 /nfs/dbraw/zinc/70/58/60/562705860.db2.gz NJVJKEMCJNLWPG-DEOSSOPVSA-N 1 2 561.296 6.378 1 0 KKAFLO FC(F)(F)c1cnc(Nc2nc(N3CCCCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cn1 ZINC000064549800 562708136 /nfs/dbraw/zinc/70/81/36/562708136.db2.gz DKRCGUPZNPZLJO-UHFFFAOYSA-N 1 2 538.500 5.038 1 0 KKAFLO Cc1ccc(Nc2nc(NCc3ccccc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1 ZINC000066066202 562709347 /nfs/dbraw/zinc/70/93/47/562709347.db2.gz SBRWHNHLHXFWSA-UHFFFAOYSA-N 1 2 559.077 8.225 1 0 KKAFLO CCCCNc1nc(Nc2ccccc2)nc(Nc2cccc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)n1 ZINC000066075274 562709982 /nfs/dbraw/zinc/70/99/82/562709982.db2.gz JFSXACYARBVXBF-UHFFFAOYSA-N 1 2 511.033 7.516 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](c1ccc2ccccc2c1)N1CC[NH+](CCO)CC1 ZINC000071296941 562717655 /nfs/dbraw/zinc/71/76/55/562717655.db2.gz OUEKUXGPWBWGSA-GDLZYMKVSA-N 1 2 528.052 5.014 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)cs4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000071317807 562718318 /nfs/dbraw/zinc/71/83/18/562718318.db2.gz XPWDRROAEFMYOQ-UHFFFAOYSA-N 1 2 534.567 7.022 1 0 KKAFLO Cc1cn(-c2cc(Cl)cc(NC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)cs4)c3)c2)c[nH+]1 ZINC000071318573 562718566 /nfs/dbraw/zinc/71/85/66/562718566.db2.gz KHJDQKZFRSJLLK-UHFFFAOYSA-N 1 2 501.015 6.657 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)cs4)c3)cc(C34CC5CC(CC(C5)C3)C4)c2)c[nH+]1 ZINC000071330070 562719100 /nfs/dbraw/zinc/71/91/00/562719100.db2.gz LKGCEJQMQTVIKR-UHFFFAOYSA-N 1 2 600.792 8.471 1 0 KKAFLO O=S(=O)(NC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072103695 562720393 /nfs/dbraw/zinc/72/03/93/562720393.db2.gz FZZDPJKTRXYMFZ-QFIPXVFZSA-N 1 2 544.521 5.047 1 0 KKAFLO C[C@@]1(OC(=O)CC(F)(F)F)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107744 562721311 /nfs/dbraw/zinc/72/13/11/562721311.db2.gz SPQBECSEHYFHKU-JOCHJYFZSA-N 1 2 502.290 5.923 1 0 KKAFLO C[C@]1(OC(=O)CC(F)(F)F)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107743 562721322 /nfs/dbraw/zinc/72/13/22/562721322.db2.gz SPQBECSEHYFHKU-QFIPXVFZSA-N 1 2 502.290 5.923 1 0 KKAFLO COc1cc(-c2cn(Cc3cc(Br)cc(Br)c3)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000072113299 562722269 /nfs/dbraw/zinc/72/22/69/562722269.db2.gz VRZIEXXJAZACPZ-UHFFFAOYSA-N 1 2 503.198 5.021 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000072134949 562727421 /nfs/dbraw/zinc/72/74/21/562727421.db2.gz PLXZFLBPNWRZHQ-FVBCXUTKSA-N 1 2 619.809 5.568 3 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000072134949 562727422 /nfs/dbraw/zinc/72/74/22/562727422.db2.gz PLXZFLBPNWRZHQ-FVBCXUTKSA-N 1 2 619.809 5.568 3 0 KKAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000072137525 562728302 /nfs/dbraw/zinc/72/83/02/562728302.db2.gz DNBZDJKFUCDOIB-OFYFZUATSA-N 1 2 586.758 5.251 3 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC(=O)NC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147685 562729813 /nfs/dbraw/zinc/72/98/13/562729813.db2.gz NGXOTJYIJHGGPZ-IHLOFXLRSA-N 1 2 685.092 7.118 1 0 KKAFLO CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147728 562729817 /nfs/dbraw/zinc/72/98/17/562729817.db2.gz FYSLFQAQQSPKHF-WDYNHAJCSA-N 1 2 689.080 7.196 1 0 KKAFLO CCc1nc(-c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)[nH+]c3)n2)s1 ZINC000072178256 562731974 /nfs/dbraw/zinc/73/19/74/562731974.db2.gz DFNROAQMFQXLQW-UHFFFAOYSA-N 1 2 654.822 5.462 1 0 KKAFLO COC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 ZINC000072179264 562732311 /nfs/dbraw/zinc/73/23/11/562732311.db2.gz YIANAMOJARWNSO-PMERELPUSA-N 1 2 505.618 5.642 1 0 KKAFLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 ZINC000072181478 562732762 /nfs/dbraw/zinc/73/27/62/562732762.db2.gz AGRKYGCNRKSAJV-GDLZYMKVSA-N 1 2 506.606 5.037 1 0 KKAFLO CC(C)c1ccc(S(=O)(=O)NC2CC[NH+]([C@@H](c3ccc(C(F)(F)F)cc3)c3cnccn3)CC2)cc1 ZINC000072185293 562732951 /nfs/dbraw/zinc/73/29/51/562732951.db2.gz DGWLOPJVRSARLX-VWLOTQADSA-N 1 2 518.605 5.151 1 0 KKAFLO O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073166852 562734535 /nfs/dbraw/zinc/73/45/35/562734535.db2.gz KXGMABRZYRXULC-VWLOTQADSA-N 1 2 530.562 5.222 1 0 KKAFLO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073168314 562734662 /nfs/dbraw/zinc/73/46/62/562734662.db2.gz MOOYUABRDQDAPY-UHFFFAOYSA-N 1 2 582.937 6.456 1 0 KKAFLO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073169325 562734803 /nfs/dbraw/zinc/73/48/03/562734803.db2.gz TWBYHFTXXXEYLT-HSZRJFAPSA-N 1 2 549.445 5.649 1 0 KKAFLO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073196049 562735029 /nfs/dbraw/zinc/73/50/29/562735029.db2.gz ATINPWNCHVQKSE-RUZDIDTESA-N 1 2 512.572 5.083 1 0 KKAFLO CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073196813 562735202 /nfs/dbraw/zinc/73/52/02/562735202.db2.gz DTQRXXAMMSJGIJ-WJOKGBTCSA-N 1 2 542.699 5.563 1 0 KKAFLO Cc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1C ZINC000073198516 562735750 /nfs/dbraw/zinc/73/57/50/562735750.db2.gz WSNMPQYMVHDBDQ-MUUNZHRXSA-N 1 2 565.636 5.228 1 0 KKAFLO Nc1scc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000073221117 562736289 /nfs/dbraw/zinc/73/62/89/562736289.db2.gz SKWGRGVAIYNYJB-UHFFFAOYSA-N 1 2 513.507 5.921 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073222787 562736411 /nfs/dbraw/zinc/73/64/11/562736411.db2.gz KJBWKMJILONBCY-UHFFFAOYSA-N 1 2 613.562 5.879 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082140620 562739552 /nfs/dbraw/zinc/73/95/52/562739552.db2.gz CGMRPDIKSOKFLV-AREMUKBSSA-N 1 2 637.391 6.562 1 0 KKAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140782 562739600 /nfs/dbraw/zinc/73/96/00/562739600.db2.gz FVLFWCYPPWAVSU-SSEXGKCCSA-N 1 2 661.026 6.098 1 0 KKAFLO O=C(CC(F)(F)F)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082148856 562739675 /nfs/dbraw/zinc/73/96/75/562739675.db2.gz STLUTSYODNYAMH-GDLZYMKVSA-N 1 2 725.130 5.876 1 0 KKAFLO Cc1cc(C)cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3c4CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC000082149518 562739683 /nfs/dbraw/zinc/73/96/83/562739683.db2.gz VOZQHKLBCAYOCV-UUWRZZSWSA-N 1 2 653.852 7.147 1 0 KKAFLO Cc1cc(C)cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3c4CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC000082149518 562739684 /nfs/dbraw/zinc/73/96/84/562739684.db2.gz VOZQHKLBCAYOCV-UUWRZZSWSA-N 1 2 653.852 7.147 1 0 KKAFLO COc1cc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@@H+]32)cc(OC)c1OC ZINC000082149562 562739689 /nfs/dbraw/zinc/73/96/89/562739689.db2.gz XGQVQLKPIYUGJM-FMNCTDSISA-N 1 2 556.503 6.923 1 0 KKAFLO COc1cc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@H+]32)cc(OC)c1OC ZINC000082149562 562739690 /nfs/dbraw/zinc/73/96/90/562739690.db2.gz XGQVQLKPIYUGJM-FMNCTDSISA-N 1 2 556.503 6.923 1 0 KKAFLO CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082150585 562739806 /nfs/dbraw/zinc/73/98/06/562739806.db2.gz AXQAPLKAKXFWQI-WJOKGBTCSA-N 1 2 653.607 5.400 1 0 KKAFLO CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082156989 562740810 /nfs/dbraw/zinc/74/08/10/562740810.db2.gz UXPVYUDTCVWSEA-WJOKGBTCSA-N 1 2 623.581 5.137 1 0 KKAFLO COc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@@H+]32)c1OC ZINC000082157163 562740856 /nfs/dbraw/zinc/74/08/56/562740856.db2.gz OYHPBXOFXJWCGO-RVSNTGDXSA-N 1 2 526.477 6.914 1 0 KKAFLO COc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@H+]32)c1OC ZINC000082157163 562740857 /nfs/dbraw/zinc/74/08/57/562740857.db2.gz OYHPBXOFXJWCGO-RVSNTGDXSA-N 1 2 526.477 6.914 1 0 KKAFLO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCOCC3)ccn2)cc2c[nH]nc21 ZINC000084603740 562744206 /nfs/dbraw/zinc/74/42/06/562744206.db2.gz KHJPBNRCLIOCCW-YTTGMZPUSA-N 1 2 606.727 5.240 1 0 KKAFLO C[C@@H](Oc1cc(-c2cc(-c3ccc(C[NH+]4CCOCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655190 562747399 /nfs/dbraw/zinc/74/73/99/562747399.db2.gz SITZGFMKDKYGPO-GOSISDBHSA-N 1 2 582.648 6.149 1 0 KKAFLO COc1cc2cc[nH+]c3c2c(c1OC(=O)OCC(Cl)(Cl)Cl)-c1c(cc(OC)c(OC)c1OC)CC3 ZINC000084670519 562748290 /nfs/dbraw/zinc/74/82/90/562748290.db2.gz NKQSJULJLVWWAL-UHFFFAOYSA-N 1 2 542.799 5.920 1 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084671513 562748614 /nfs/dbraw/zinc/74/86/14/562748614.db2.gz HAFMFNSFPWDDBC-VYYCAZPPSA-N 1 2 568.559 7.016 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)/C=C/c4cccnc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084707477 562750136 /nfs/dbraw/zinc/75/01/36/562750136.db2.gz CFHBMOVDNNMLHP-SOFGYWHQSA-N 1 2 505.500 5.807 1 0 KKAFLO COc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000085679219 562753362 /nfs/dbraw/zinc/75/33/62/562753362.db2.gz HZPADNALHXOXJE-UHFFFAOYSA-N 1 2 578.741 9.163 1 0 KKAFLO COc1cccc(CNC(=O)c2cnc(N3CC[NH+](C4CCN(Cc5ccc(Cl)cc5)CC4)CC3)c(Cl)c2)c1 ZINC000095536697 562754052 /nfs/dbraw/zinc/75/40/52/562754052.db2.gz JUMRVKLXUFVLMR-UHFFFAOYSA-N 1 2 568.549 5.114 1 0 KKAFLO C[C@H](Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000095536738 562754079 /nfs/dbraw/zinc/75/40/79/562754079.db2.gz JPBMZZADZDNNLM-FWUCURJTSA-N 1 2 583.700 5.679 1 0 in-vivo KKAFLO C[C@H](Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000095536738 562754080 /nfs/dbraw/zinc/75/40/80/562754080.db2.gz JPBMZZADZDNNLM-FWUCURJTSA-N 1 2 583.700 5.679 1 0 in-vivo KKAFLO C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@@H+]1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000095536907 562754243 /nfs/dbraw/zinc/75/42/43/562754243.db2.gz QXCOKKWUUTXXNB-XFPZIDPTSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@H+]1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000095536907 562754244 /nfs/dbraw/zinc/75/42/44/562754244.db2.gz QXCOKKWUUTXXNB-XFPZIDPTSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@H+]([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000095536907 562754245 /nfs/dbraw/zinc/75/42/45/562754245.db2.gz QXCOKKWUUTXXNB-XFPZIDPTSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@@H+]([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000095536907 562754246 /nfs/dbraw/zinc/75/42/46/562754246.db2.gz QXCOKKWUUTXXNB-XFPZIDPTSA-N 1 2 780.916 9.203 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1 ZINC000095548737 562759410 /nfs/dbraw/zinc/75/94/10/562759410.db2.gz GAZNDTRYZUUOKB-MGBGTMOVSA-N 1 2 745.858 6.612 1 0 in-vitro KKAFLO CCCOc1nc2ccccc2cc1-c1cc2nc(OCCC)c(-c3cc4[nH+]c(N5CCCC5)ccc4c(C(C)C)c3)cc2c(C(C)C)c1 ZINC000095552948 562760819 /nfs/dbraw/zinc/76/08/19/562760819.db2.gz AYCCWXLQXCPVJI-UHFFFAOYSA-N 1 2 652.883 11.090 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)[nH+]c(NCC(C)C)n2)cc1 ZINC000095556373 562761744 /nfs/dbraw/zinc/76/17/44/562761744.db2.gz IVGBIFJBPJZBSB-AREMUKBSSA-N 1 2 620.849 5.575 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCc3csc(-c4ccccc4)n3)nc(NCC(C)C)[nH+]2)cc1 ZINC000095556373 562761745 /nfs/dbraw/zinc/76/17/45/562761745.db2.gz IVGBIFJBPJZBSB-AREMUKBSSA-N 1 2 620.849 5.575 1 0 KKAFLO CCCc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nc(NCC(C)C)nc(NCc3csc(-c4ccccc4)n3)[nH+]2)cc1 ZINC000095556373 562761746 /nfs/dbraw/zinc/76/17/46/562761746.db2.gz IVGBIFJBPJZBSB-AREMUKBSSA-N 1 2 620.849 5.575 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000095561621 562763498 /nfs/dbraw/zinc/76/34/98/562763498.db2.gz WMVALYUTDLLBRA-UHFFFAOYSA-N 1 2 562.577 6.472 1 0 KKAFLO O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2C2CC[NH2+]CC2)cc1F ZINC000095581069 562772055 /nfs/dbraw/zinc/77/20/55/562772055.db2.gz QXQPHUYQYSHKRG-UHFFFAOYSA-N 1 2 531.478 5.578 1 0 KKAFLO O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CC[NH2+]CC2)cc1F ZINC000095583710 562772988 /nfs/dbraw/zinc/77/29/88/562772988.db2.gz OXAFRZDULPTTCE-UHFFFAOYSA-N 1 2 503.408 5.044 1 0 KKAFLO O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(C[NH+]3CCC3)c2)cc1F ZINC000095584188 562773177 /nfs/dbraw/zinc/77/31/77/562773177.db2.gz WNOWJORROBGRSP-UHFFFAOYSA-N 1 2 565.479 6.450 1 0 KKAFLO Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncccn3)cc2Cl)cc[nH+]1 ZINC000095585665 562773650 /nfs/dbraw/zinc/77/36/50/562773650.db2.gz MKPOZUSXBRLWIT-UHFFFAOYSA-N 1 2 506.346 5.160 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599186 562777829 /nfs/dbraw/zinc/77/78/29/562777829.db2.gz CBAAPWVHONFTKW-TWQFHJJKSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599186 562777830 /nfs/dbraw/zinc/77/78/30/562777830.db2.gz CBAAPWVHONFTKW-TWQFHJJKSA-N 1 2 724.843 6.039 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095605160 562781429 /nfs/dbraw/zinc/78/14/29/562781429.db2.gz LGFCYAUQAJYOOY-QNBZCSHPSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095605160 562781430 /nfs/dbraw/zinc/78/14/30/562781430.db2.gz LGFCYAUQAJYOOY-QNBZCSHPSA-N 1 2 711.869 6.495 1 0 KKAFLO CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000095609881 562784050 /nfs/dbraw/zinc/78/40/50/562784050.db2.gz JHHSARVJZDXJAW-LTLCPEALSA-N 1 2 760.977 5.730 1 0 KKAFLO CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000095609881 562784051 /nfs/dbraw/zinc/78/40/51/562784051.db2.gz JHHSARVJZDXJAW-LTLCPEALSA-N 1 2 760.977 5.730 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000095696495 562788481 /nfs/dbraw/zinc/78/84/81/562788481.db2.gz XBVLEIVXSOQLFB-UHFFFAOYSA-N 1 2 555.000 6.630 1 0 KKAFLO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174074 562791646 /nfs/dbraw/zinc/79/16/46/562791646.db2.gz BLQSUHFLNAPJIC-UHFFFAOYSA-N 1 2 531.595 5.150 1 0 KKAFLO O=C(Nc1nc2ccc(F)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258246 562792835 /nfs/dbraw/zinc/79/28/35/562792835.db2.gz YXMQVOGXMDIUOM-UHFFFAOYSA-N 1 2 518.658 5.824 1 0 KKAFLO COc1cccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)nc21 ZINC000096258270 562792900 /nfs/dbraw/zinc/79/29/00/562792900.db2.gz CIIJGMNXBMHIFX-UHFFFAOYSA-N 1 2 530.694 5.693 1 0 KKAFLO Cc1cc(-c2cc(NC(=O)c3ccc(OCC[NH+]4CCOCC4)cc3)n[nH]2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1 ZINC000096270657 562793308 /nfs/dbraw/zinc/79/33/08/562793308.db2.gz TXWGCUMZODJNKF-UHFFFAOYSA-N 1 2 587.681 5.278 1 0 KKAFLO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1F ZINC000096903429 562797952 /nfs/dbraw/zinc/79/79/52/562797952.db2.gz HFAXFWWFLBWHEO-UHFFFAOYSA-N 1 2 526.814 8.417 1 0 KKAFLO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1F ZINC000096903429 562797953 /nfs/dbraw/zinc/79/79/53/562797953.db2.gz HFAXFWWFLBWHEO-UHFFFAOYSA-N 1 2 526.814 8.417 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2ccnc3c(F)cccc23)cc1OC ZINC000096913932 562800571 /nfs/dbraw/zinc/80/05/71/562800571.db2.gz IBOZNHMJIUVZCA-RUZDIDTESA-N 1 2 545.611 5.189 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2ccnc3c(F)cccc23)cc1OC ZINC000096913932 562800572 /nfs/dbraw/zinc/80/05/72/562800572.db2.gz IBOZNHMJIUVZCA-RUZDIDTESA-N 1 2 545.611 5.189 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913943 562800639 /nfs/dbraw/zinc/80/06/39/562800639.db2.gz HFXHCZBJZUJSCZ-PMERELPUSA-N 1 2 566.698 5.750 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913943 562800640 /nfs/dbraw/zinc/80/06/40/562800640.db2.gz HFXHCZBJZUJSCZ-PMERELPUSA-N 1 2 566.698 5.750 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCc4ccccn4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913944 562800648 /nfs/dbraw/zinc/80/06/48/562800648.db2.gz PNJALJCVWVMTHB-GDLZYMKVSA-N 1 2 567.686 5.145 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCc4ccccn4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913944 562800649 /nfs/dbraw/zinc/80/06/49/562800649.db2.gz PNJALJCVWVMTHB-GDLZYMKVSA-N 1 2 567.686 5.145 1 0 KKAFLO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000096922107 562801665 /nfs/dbraw/zinc/80/16/65/562801665.db2.gz QJBPHQZAFKFRKI-IAPPQJPRSA-N 1 2 514.651 5.464 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 ZINC000096923204 562802019 /nfs/dbraw/zinc/80/20/19/562802019.db2.gz YLNONKXANPPJIY-UHFFFAOYSA-N 1 2 559.519 5.735 1 0 KKAFLO C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926980 562802519 /nfs/dbraw/zinc/80/25/19/562802519.db2.gz OQPCBRUAQKPVNO-ZLLOCRDSSA-N 1 2 644.816 6.393 1 0 KKAFLO C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926980 562802520 /nfs/dbraw/zinc/80/25/20/562802520.db2.gz OQPCBRUAQKPVNO-ZLLOCRDSSA-N 1 2 644.816 6.393 1 0 KKAFLO COc1cc(Cl)c(Cl)cc1OCC[N@@H+]1CCO[C@@H](COc2cccc3[nH]c4ccccc4c32)C1 ZINC000096939986 562804833 /nfs/dbraw/zinc/80/48/33/562804833.db2.gz XOUYWGISTOHRTQ-QGZVFWFLSA-N 1 2 501.410 5.795 1 0 KKAFLO COc1cc(Cl)c(Cl)cc1OCC[N@H+]1CCO[C@@H](COc2cccc3[nH]c4ccccc4c32)C1 ZINC000096939986 562804834 /nfs/dbraw/zinc/80/48/34/562804834.db2.gz XOUYWGISTOHRTQ-QGZVFWFLSA-N 1 2 501.410 5.795 1 0 KKAFLO Cc1sc2nc3c(c(NCCCNc4c5c(C)c(C)sc5[nH+]c5c4CCCC5)c2c1C)CCCC3 ZINC000098084168 562805614 /nfs/dbraw/zinc/80/56/14/562805614.db2.gz OGFOLTDOCLVSJQ-UHFFFAOYSA-N 1 2 504.769 7.811 1 0 KKAFLO Cc1ccc(OCc2ccccc2-c2nc(CN3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103186208 562815450 /nfs/dbraw/zinc/81/54/50/562815450.db2.gz XGZNTWHKFBUAJJ-UMSFTDKQSA-N 1 2 580.197 8.258 1 0 KKAFLO Cc1cc([NH+](C)C)cc(C)c1NC(NCCCCCCCCc1ccc(C(C)(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103217091 562817174 /nfs/dbraw/zinc/81/71/74/562817174.db2.gz KXAUTFWZOMTFSJ-UHFFFAOYSA-N 1 2 577.810 7.299 1 0 KKAFLO CCC(CC)C(=O)Nc1ccc(N2CC[NH+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)CC2)c(F)c1 ZINC000103227917 562817946 /nfs/dbraw/zinc/81/79/46/562817946.db2.gz SCLPDBSDKXQSNU-NDEPHWFRSA-N 1 2 527.644 6.162 1 0 KKAFLO COc1ccc(NC(=O)Nc2cccc(CNc3[nH+]cnc4c3cnn4CCc3ccccc3)c2)cc1OC ZINC000103253385 562820534 /nfs/dbraw/zinc/82/05/34/562820534.db2.gz ZIELKKFKOMOAFD-UHFFFAOYSA-N 1 2 523.597 5.342 1 0 KKAFLO CCCNc1nc(Nc2ccccc2)nc(OCCCCNc2nc(Nc3ccccc3)nc(NC3CC3)[nH+]2)n1 ZINC000103255166 562820725 /nfs/dbraw/zinc/82/07/25/562820725.db2.gz VIONUCXCKDOGQQ-UHFFFAOYSA-N 1 2 541.664 5.211 1 0 KKAFLO COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CCCC3)c2=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000103259774 562821093 /nfs/dbraw/zinc/82/10/93/562821093.db2.gz FDMYOEAMRHHXRR-UHFFFAOYSA-N 1 2 573.597 5.292 1 0 KKAFLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cn1 ZINC000103261555 562821452 /nfs/dbraw/zinc/82/14/52/562821452.db2.gz XMBIGFLBTFRXHV-UHFFFAOYSA-N 1 2 589.578 5.518 1 0 KKAFLO CC[C@](O)(c1c[nH+]cn1C)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263806 562821812 /nfs/dbraw/zinc/82/18/12/562821812.db2.gz SWVWFVRGBYSYCX-BHBYDHKZSA-N 1 2 550.103 5.262 1 0 KKAFLO CCCOc1ccc(-c2cc([C@@H](C(=O)OC)n3cc4nc(-c5cccc(F)c5F)nc-4c[nH+]3)on2)c(C(F)(F)F)c1 ZINC000103268777 562822718 /nfs/dbraw/zinc/82/27/18/562822718.db2.gz VLPPBCZTUNUFEJ-DEOSSOPVSA-N 1 2 573.478 5.948 1 0 KKAFLO CCCOc1ccc(-c2cc([C@H](C(=O)OCCCO)n3cc4nc(-c5cccc(F)c5F)nc-4c[nH+]3)on2)c(C(F)(F)F)c1 ZINC000103268785 562822729 /nfs/dbraw/zinc/82/27/29/562822729.db2.gz LGBQINUHIWGEER-AREMUKBSSA-N 1 2 617.531 5.701 1 0 KKAFLO O=C1CC(c2cccc(-n3cc[nH+]c3)c2)=Nc2ccc(-c3cccc(I)c3)cc2N1 ZINC000103297713 562824646 /nfs/dbraw/zinc/82/46/46/562824646.db2.gz KPZHJPGSVMRFLO-UHFFFAOYSA-N 1 2 504.331 5.607 1 0 KKAFLO Cc1ccc(-c2[nH]cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)NCc3ccccc3)[nH+]2)cc1 ZINC000103298019 562824707 /nfs/dbraw/zinc/82/47/07/562824707.db2.gz WTLMBYWFTFAZND-CONSDPRKSA-N 1 2 620.754 5.346 1 0 KKAFLO COc1ccc(-c2[nH]cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)NCc3ccccc3)[nH+]2)cc1 ZINC000103298021 562824710 /nfs/dbraw/zinc/82/47/10/562824710.db2.gz BFWBWLXQMUQJGT-CONSDPRKSA-N 1 2 636.753 5.046 1 0 KKAFLO COc1ccc(-c2[nH]c(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)NCc3ccccc3)c[nH+]2)cc1 ZINC000103298021 562824711 /nfs/dbraw/zinc/82/47/11/562824711.db2.gz BFWBWLXQMUQJGT-CONSDPRKSA-N 1 2 636.753 5.046 1 0 KKAFLO C[NH+](C)CCNC(=O)c1ccc(-c2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)cc1 ZINC000114036107 562827028 /nfs/dbraw/zinc/82/70/28/562827028.db2.gz CAKVUGPKQXRXBI-UHFFFAOYSA-N 1 2 548.470 6.465 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000114037887 562827284 /nfs/dbraw/zinc/82/72/84/562827284.db2.gz MXCQCHYDYFMOPM-UHFFFAOYSA-N 1 2 510.425 6.324 1 0 KKAFLO Cc1c(C2(c3ccccc3)CC2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093655 562830146 /nfs/dbraw/zinc/83/01/46/562830146.db2.gz LFQAMVCZGWVYJD-UHFFFAOYSA-N 1 2 526.631 6.562 1 0 KKAFLO CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000141659314 562833638 /nfs/dbraw/zinc/83/36/38/562833638.db2.gz NYHXYBSLHAXDHQ-OAQYLSRUSA-N 1 2 522.671 5.062 1 0 KKAFLO CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000141659314 562833639 /nfs/dbraw/zinc/83/36/39/562833639.db2.gz NYHXYBSLHAXDHQ-OAQYLSRUSA-N 1 2 522.671 5.062 1 0 KKAFLO C[C@@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000142003788 562833889 /nfs/dbraw/zinc/83/38/89/562833889.db2.gz BSIUBDGVJIJBLB-DQEYMECFSA-N 1 2 563.754 7.715 1 0 KKAFLO NC(=O)c1ccc(-c2nc(C[NH+]3CCOCC3)cc3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(O)CC1 ZINC000145519449 562837285 /nfs/dbraw/zinc/83/72/85/562837285.db2.gz PHIKMEYCPXIXMK-UHFFFAOYSA-N 1 2 587.724 5.764 1 0 KKAFLO O=C(OC[C@@H](C1CCCCC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000146381838 562838462 /nfs/dbraw/zinc/83/84/62/562838462.db2.gz ZLDADYIDLCGGQR-LHEWISCISA-N 1 2 637.828 8.683 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)oc5c4)c3c2)C1 ZINC000147813498 562839754 /nfs/dbraw/zinc/83/97/54/562839754.db2.gz CWUSGJPSWRFWJE-HXUWFJFHSA-N 1 2 513.573 5.222 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)oc5c4)c3c2)C1 ZINC000147813498 562839755 /nfs/dbraw/zinc/83/97/55/562839755.db2.gz CWUSGJPSWRFWJE-HXUWFJFHSA-N 1 2 513.573 5.222 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(c4cccc[nH+]4)CC3)nc12 ZINC000148050149 562840032 /nfs/dbraw/zinc/84/00/32/562840032.db2.gz UHKUOOABNMEAAV-UHFFFAOYSA-N 1 2 614.636 5.437 1 0 KKAFLO Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5ccc(-c6ccc(C(F)(F)F)cn6)cc5[nH]4)c3N)cc2[nH+]1 ZINC000150320377 562843090 /nfs/dbraw/zinc/84/30/90/562843090.db2.gz OQIOOVKROVOWAL-UHFFFAOYSA-N 1 2 501.472 5.432 1 0 KKAFLO Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5ccc(-c6ccc(C(F)(F)F)cn6)cc5[nH]4)c3N)ccc2[nH+]1 ZINC000150320377 562843091 /nfs/dbraw/zinc/84/30/91/562843091.db2.gz OQIOOVKROVOWAL-UHFFFAOYSA-N 1 2 501.472 5.432 1 0 KKAFLO NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCCc2c[nH+]c[nH]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593695 562846440 /nfs/dbraw/zinc/84/64/40/562846440.db2.gz RBAAYWOHJRNGIN-KRWDZBQOSA-N 1 2 644.351 5.312 1 0 KKAFLO NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCCc2c[nH]c[nH+]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593695 562846441 /nfs/dbraw/zinc/84/64/41/562846441.db2.gz RBAAYWOHJRNGIN-KRWDZBQOSA-N 1 2 644.351 5.312 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150605786 562847795 /nfs/dbraw/zinc/84/77/95/562847795.db2.gz JETHAGYQXLWSRK-UHFFFAOYSA-N 1 2 644.698 6.709 1 0 KKAFLO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH+]c3cc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N4CC[C@@H](F)C4)cc3n2CC(F)F)c1Cl ZINC000165384499 562850177 /nfs/dbraw/zinc/85/01/77/562850177.db2.gz NLGJONMZWGHPNE-GOSISDBHSA-N 1 2 745.552 8.713 1 0 KKAFLO C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@@H+]1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306275 562853511 /nfs/dbraw/zinc/85/35/11/562853511.db2.gz QXCOKKWUUTXXNB-IWEDMOOGSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@H+]1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306275 562853512 /nfs/dbraw/zinc/85/35/12/562853512.db2.gz QXCOKKWUUTXXNB-IWEDMOOGSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@H+]([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306275 562853513 /nfs/dbraw/zinc/85/35/13/562853513.db2.gz QXCOKKWUUTXXNB-IWEDMOOGSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@@H+]([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306275 562853514 /nfs/dbraw/zinc/85/35/14/562853514.db2.gz QXCOKKWUUTXXNB-IWEDMOOGSA-N 1 2 780.916 9.203 1 0 KKAFLO CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC2=[NH+]NNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169313231 562855600 /nfs/dbraw/zinc/85/56/00/562855600.db2.gz IFWUAXZSONLVMY-ABAYTZJJSA-N 1 2 668.714 7.171 1 0 KKAFLO Fc1cccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)c1 ZINC000169322269 562856793 /nfs/dbraw/zinc/85/67/93/562856793.db2.gz RXRXEAWIUYUYEM-UHFFFAOYSA-N 1 2 586.075 6.187 1 0 KKAFLO Clc1cccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)c1 ZINC000169323775 562857217 /nfs/dbraw/zinc/85/72/17/562857217.db2.gz BIOHXRQNRDTMNQ-UHFFFAOYSA-N 1 2 602.530 6.702 1 0 KKAFLO CC[C@@H](c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC)[N@@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329986 562858613 /nfs/dbraw/zinc/85/86/13/562858613.db2.gz HIUPQHNTPAOFKE-AVRDEDQJSA-N 1 2 562.892 5.850 1 0 KKAFLO CC[C@@H](c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC)[N@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329986 562858614 /nfs/dbraw/zinc/85/86/14/562858614.db2.gz HIUPQHNTPAOFKE-AVRDEDQJSA-N 1 2 562.892 5.850 1 0 KKAFLO O[C@H](c1ccccc1)[C@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330922 562858807 /nfs/dbraw/zinc/85/88/07/562858807.db2.gz KTWPPHPCLMIACC-AJQTZOPKSA-N 1 2 513.081 6.512 1 0 KKAFLO O[C@@H](c1ccccc1)[C@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330921 562858866 /nfs/dbraw/zinc/85/88/66/562858866.db2.gz KTWPPHPCLMIACC-ACHIHNKUSA-N 1 2 513.081 6.512 1 0 KKAFLO O[C@@H](C[NH+]1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169338202 562860220 /nfs/dbraw/zinc/86/02/20/562860220.db2.gz LJJMZDAQMOMZAA-SANMLTNESA-N 1 2 508.836 7.660 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000169339727 562860478 /nfs/dbraw/zinc/86/04/78/562860478.db2.gz QQYYCLHUDLWINO-PMERELPUSA-N 1 2 604.201 6.115 1 0 KKAFLO CC(C)[C@H](COC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1)n1c2ccccc2nc1-c1ccccc1 ZINC000169353017 562863339 /nfs/dbraw/zinc/86/33/39/562863339.db2.gz LZRNGISDTHAYNF-DHUJRADRSA-N 1 2 597.763 7.758 1 0 KKAFLO O=C(OCCn1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353299 562863465 /nfs/dbraw/zinc/86/34/65/562863465.db2.gz NXYHFVRVEGHDNF-UHFFFAOYSA-N 1 2 555.682 6.561 1 0 KKAFLO CN(c1cc2c(cc1C(=O)NCC(F)(F)F)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)C1CCCC1 ZINC000169700893 562867750 /nfs/dbraw/zinc/86/77/50/562867750.db2.gz QLZPEYCHVZLSIP-UHFFFAOYSA-N 1 2 627.539 6.957 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)Nc3cccc(C(F)(F)F)n3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700915 562867801 /nfs/dbraw/zinc/86/78/01/562867801.db2.gz OSWIKFGMIQWINH-UHFFFAOYSA-N 1 2 698.524 7.798 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@@H]4C3)c(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700930 562867825 /nfs/dbraw/zinc/86/78/25/562867825.db2.gz QAMAGPZMSOZZRV-SUBNCTQYSA-N 1 2 679.615 7.593 1 0 KKAFLO Cn1c2cc(N3C[C@@H]4C[C@@H]4C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700936 562867849 /nfs/dbraw/zinc/86/78/49/562867849.db2.gz KXMXRACIDDEBLD-HDICACEKSA-N 1 2 658.005 7.787 1 0 KKAFLO Cn1c2cc(N3CC[C@H](O)C3)c(C(=O)NC3CCC(C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700958 562867863 /nfs/dbraw/zinc/86/78/63/562867863.db2.gz WNWKTRWIHSIUCK-MHJFOBGBSA-N 1 2 683.603 6.708 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2c(N)cccc2Cl)c1Cl ZINC000169701044 562867890 /nfs/dbraw/zinc/86/78/90/562867890.db2.gz SYXTVCRXWHLQDN-UHFFFAOYSA-N 1 2 764.986 8.250 1 0 KKAFLO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH]c3cc(C(=O)Nc4ccc(Br)cc4)c(OCC(F)F)cc3[nH+]2)c1Cl ZINC000169703054 562868560 /nfs/dbraw/zinc/86/85/60/562868560.db2.gz OXGJBJAIDJVDRS-UHFFFAOYSA-N 1 2 669.354 7.934 1 0 KKAFLO Cc1cn2nc(-c3ccn4c(c3)[nH+]cc4-c3cc(NC(=O)NCC(F)(F)F)cc(OC(C)C)c3)sc2n1 ZINC000169704705 562869152 /nfs/dbraw/zinc/86/91/52/562869152.db2.gz YYEPRQYYBGHDEV-UHFFFAOYSA-N 1 2 529.548 5.552 1 0 KKAFLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710459 562870662 /nfs/dbraw/zinc/87/06/62/562870662.db2.gz KVKDGPWMYMGPDD-DEOSSOPVSA-N 1 2 512.635 5.927 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200629280 562873393 /nfs/dbraw/zinc/87/33/93/562873393.db2.gz CZSVRXPBPZIVEN-WSQFZFBESA-N 1 2 788.053 6.095 1 0 KKAFLO CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3[nH+]c2NCc2ccccc2)c2cc(OC)c(OC)cc12 ZINC000201595422 562873529 /nfs/dbraw/zinc/87/35/29/562873529.db2.gz BBKDYBIZGOPNJK-UHFFFAOYSA-N 1 2 509.606 5.867 1 0 KKAFLO COC(=O)N[C@H](C(=O)N[C@H](c1[nH]cc(C2CCN(c3c(F)cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3F)CC2)[nH+]1)C(C)C)C(C)C ZINC000202691426 562873765 /nfs/dbraw/zinc/87/37/65/562873765.db2.gz WMTBOXHSROUXJZ-YDPTYEFTSA-N 1 2 783.922 5.700 1 0 KKAFLO Cc1cc(C[NH+]2CCN(Cc3ccncc3)CC2)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000205448839 562875373 /nfs/dbraw/zinc/87/53/73/562875373.db2.gz HSUQYJQLSYQEOB-UHFFFAOYSA-N 1 2 523.521 5.687 1 0 KKAFLO C[NH+]1CCN(Cc2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000219342804 562878072 /nfs/dbraw/zinc/87/80/72/562878072.db2.gz NEABEJVOTNZIML-UHFFFAOYSA-N 1 2 546.046 5.879 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cccc(CCN2CC[NH+](C)CC2)c1 ZINC000219351699 562878109 /nfs/dbraw/zinc/87/81/09/562878109.db2.gz ZWZYCVRUIKPEQZ-UHFFFAOYSA-N 1 2 533.047 6.136 1 0 KKAFLO O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000253638895 562882516 /nfs/dbraw/zinc/88/25/16/562882516.db2.gz AILRYHWCZLVQIS-VDUCXAMOSA-N 1 2 629.645 7.227 1 0 KKAFLO O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000253638895 562882517 /nfs/dbraw/zinc/88/25/17/562882517.db2.gz AILRYHWCZLVQIS-VDUCXAMOSA-N 1 2 629.645 7.227 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nc3cc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840476 562888587 /nfs/dbraw/zinc/88/85/87/562888587.db2.gz XGNDVRWWSKHYGD-UHFFFAOYSA-N 1 2 615.660 6.575 1 0 KKAFLO C[NH+]1CCN([C@]23C[C@H](c4ccccc4)[C@H]([C@H](c4ccccc4)C2)[N@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000299845314 562889465 /nfs/dbraw/zinc/88/94/65/562889465.db2.gz ZLHFKUBQDTULIC-NTCBOEBKSA-N 1 2 500.775 5.284 1 0 KKAFLO C[NH+]1CCN([C@]23C[C@H](c4ccccc4)[C@H]([C@H](c4ccccc4)C2)[N@@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000299845314 562889466 /nfs/dbraw/zinc/88/94/66/562889466.db2.gz ZLHFKUBQDTULIC-NTCBOEBKSA-N 1 2 500.775 5.284 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000299846944 562889750 /nfs/dbraw/zinc/88/97/50/562889750.db2.gz MYYGEJVPSZKSFV-DSITVLBTSA-N 1 2 525.774 7.769 1 0 KKAFLO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000299856452 562891930 /nfs/dbraw/zinc/89/19/30/562891930.db2.gz BZDYUCUCABSNAD-UHFFFAOYSA-N 1 2 536.661 6.082 1 0 KKAFLO COCOC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000473112059 562898663 /nfs/dbraw/zinc/89/86/63/562898663.db2.gz COYXOZFNYZRGSD-ZTJXOPACSA-N 1 2 710.909 5.830 1 0 KKAFLO COc1ccccc1C[N@H+](C)CCCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473115886 562899079 /nfs/dbraw/zinc/89/90/79/562899079.db2.gz VDWJWMFMUHNIFR-UHFFFAOYSA-N 1 2 519.594 5.482 1 0 KKAFLO COc1ccccc1C[N@@H+](C)CCCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473115886 562899080 /nfs/dbraw/zinc/89/90/80/562899080.db2.gz VDWJWMFMUHNIFR-UHFFFAOYSA-N 1 2 519.594 5.482 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2cccc[n+]2[O-])c1Cl ZINC000473145567 562901319 /nfs/dbraw/zinc/90/13/19/562901319.db2.gz WZRVDBMSVGVIFV-UHFFFAOYSA-N 1 2 732.513 6.648 1 0 KKAFLO CC1(C)CC[C@]2(C(=O)NCC[NH+]3CCOCC3)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 ZINC000473151301 562901668 /nfs/dbraw/zinc/90/16/68/562901668.db2.gz PJUOOKPPJRVITL-JYBIBERPSA-N 1 2 584.886 5.570 1 0 KKAFLO C[NH+](C)C[C@H]1CC[C@H](Nc2c3cc(-c4cc(Cl)c(O)c(Cl)c4)ccc3ncc2S(C)(=O)=O)CC1 ZINC000473210196 562903839 /nfs/dbraw/zinc/90/38/39/562903839.db2.gz MWUGEURPYSWTAI-RZDIXWSQSA-N 1 2 522.498 5.272 1 0 KKAFLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000653663457 562905913 /nfs/dbraw/zinc/90/59/13/562905913.db2.gz QPHCCQBOTSLBTO-UHFFFAOYSA-N 1 2 612.649 6.142 1 0 KKAFLO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCC[NH+]3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682393 562906393 /nfs/dbraw/zinc/90/63/93/562906393.db2.gz LNBYJUPTVFIGQB-UHFFFAOYSA-N 1 2 575.065 5.075 1 0 KKAFLO O=C(c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)nc3)n2)cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000653688531 562906627 /nfs/dbraw/zinc/90/66/27/562906627.db2.gz IXHXCHMOQLETPH-HXUWFJFHSA-N 1 2 596.532 5.136 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccn3)n2)cc1 ZINC000653714194 562908371 /nfs/dbraw/zinc/90/83/71/562908371.db2.gz QASUXFZOHJWSTI-UHFFFAOYSA-N 1 2 548.569 5.694 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=[NH+]1 ZINC000653757806 562911135 /nfs/dbraw/zinc/91/11/35/562911135.db2.gz DTIXMTFOWDEUBO-HHHXNRCGSA-N 1 2 615.923 6.158 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1OCc1ccccc1F)Cc1ccccc1OCc1ccccc1F)C(=O)[O-] ZINC000653762787 562911414 /nfs/dbraw/zinc/91/14/14/562911414.db2.gz KQUJLMQZLYSIQA-LJAQVGFWSA-N 1 2 546.614 5.927 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653773247 562911825 /nfs/dbraw/zinc/91/18/25/562911825.db2.gz KNFNMFRIDTZZML-UHFFFAOYSA-N 1 2 614.710 5.717 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCOCC6)nc5)c4)nc(C)[nH+]3)cc12 ZINC000653773196 562911867 /nfs/dbraw/zinc/91/18/67/562911867.db2.gz NXDOABVJKSBEHF-FQEVSTJZSA-N 1 2 506.610 5.973 1 0 KKAFLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653803329 562913517 /nfs/dbraw/zinc/91/35/17/562913517.db2.gz XQAYVKFARXEIJT-UHFFFAOYSA-N 1 2 549.553 5.870 1 0 KKAFLO Cc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCC[NH+]5CCOCC5)cc4o3)cc2)cc1 ZINC000653827896 562914455 /nfs/dbraw/zinc/91/44/55/562914455.db2.gz DHBNJJFYJOITLS-UHFFFAOYSA-N 1 2 501.587 5.103 1 0 KKAFLO CCCCCC(CCCCC)CC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631580 565165266 /nfs/dbraw/zinc/16/52/66/565165266.db2.gz FTVXEZCMROEZJI-IVUOSGLUSA-N 1 2 618.839 7.103 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631580 565165270 /nfs/dbraw/zinc/16/52/70/565165270.db2.gz FTVXEZCMROEZJI-IVUOSGLUSA-N 1 2 618.839 7.103 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)[C@H](O)C(=O)CCCCCCC2CCCCC2)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631544 565165417 /nfs/dbraw/zinc/16/54/17/565165417.db2.gz VVFTYIQETFMJKG-QUQGEDSUSA-N 1 2 632.822 5.828 1 0 biogenic,in-vitro KKAFLO COc1cc2c(cc1OCCCn1cncn1)[nH+]ccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000042808528 581097430 /nfs/dbraw/zinc/09/74/30/581097430.db2.gz TXXALIOZTNGKSD-UHFFFAOYSA-N 1 2 592.631 5.587 1 0 KKAFLO CCC/C=C1\OC(=O)C2=C(Cc3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571217 291919348 /nfs/dbraw/zinc/91/93/48/291919348.db2.gz WLRQXKNSDKRHST-VIZZSBTMSA-N 1 2 512.650 6.107 1 0 biogenic,in-vitro KKAFLO COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)[C@H](CC2(n3cc[nH+]c3)CCCC2)Cc2cc(O)ccc2-4)ccc1O ZINC000085568208 291975444 /nfs/dbraw/zinc/97/54/44/291975444.db2.gz YNIBVMOVNPCXPR-IMSOOLSUSA-O 1 2 569.678 5.434 1 0 biogenic,in-vitro KKAFLO COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)[C@@H](CCn2cc[nH+]c2)Cc2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568141 291975447 /nfs/dbraw/zinc/97/54/47/291975447.db2.gz FKAVGKBOXLDHBO-CDTYBXGZSA-O 1 2 649.764 5.312 1 0 biogenic,in-vitro KKAFLO CCCOc1c(OCCCn2cc[nH+]c2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O ZINC000003922776 561685997 /nfs/dbraw/zinc/68/59/97/561685997.db2.gz YMTIRZYQJYUIMI-DQEYMECFSA-N 1 2 616.733 5.122 1 0 KKAFLO Cc1cc(-n2cc[nH+]c2)c2cccc(OCc3c(Cl)ccc(-n4cccc4CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1 ZINC000003939879 561689221 /nfs/dbraw/zinc/68/92/21/561689221.db2.gz MESWIKFMVZMDSV-LFIBNONCSA-N 1 2 679.608 7.437 1 0 KKAFLO Cc1cc(-n2cccn2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2[nH+]1 ZINC000003950574 561690323 /nfs/dbraw/zinc/69/03/23/561690323.db2.gz JBHYUQPBMCHZSP-LFIBNONCSA-N 1 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CCCCCC(=O)c1ccc(OCCC[NH+]2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000013444744 561713127 /nfs/dbraw/zinc/71/31/27/561713127.db2.gz UNKGZIGUDPASTI-SANMLTNESA-N 1 2 531.738 5.302 1 0 KKAFLO COc1ccc(C(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643476 561722445 /nfs/dbraw/zinc/72/24/45/561722445.db2.gz XQUXMRXOJHGPCU-UHFFFAOYSA-N 1 2 514.453 5.665 1 0 KKAFLO CCCc1[nH+]c2c(cc(-c3cn4ccccc4n3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013732081 561725297 /nfs/dbraw/zinc/72/52/97/561725297.db2.gz HPJCDTXAMABJSO-UHFFFAOYSA-N 1 2 524.632 6.507 1 0 KKAFLO CC(C)[C@H](O)c1c[nH+]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 ZINC000013738588 561725817 /nfs/dbraw/zinc/72/58/17/561725817.db2.gz ICRGHZIYDWWKSI-RJXYDRFNSA-N 1 2 507.675 5.312 1 0 KKAFLO CC(C)[C@H](O)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH+]1 ZINC000013738588 561725818 /nfs/dbraw/zinc/72/58/18/561725818.db2.gz ICRGHZIYDWWKSI-RJXYDRFNSA-N 1 2 507.675 5.312 1 0 KKAFLO CCCCCCc1ccc(C(=O)N(CC[NH+]2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1 ZINC000013740001 561725940 /nfs/dbraw/zinc/72/59/40/561725940.db2.gz JGTZMUJQIISBHS-UHFFFAOYSA-N 1 2 500.687 5.682 1 0 KKAFLO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(I)c(CC)[nH+]1 ZINC000013826907 561733038 /nfs/dbraw/zinc/73/30/38/561733038.db2.gz CJOUEUPOWAKVHI-UHFFFAOYSA-N 1 2 511.367 5.237 1 0 KKAFLO Cc1ccccc1CN(CCN(Cc1c[nH+]cn1C)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cn(C)cn1 ZINC000014952267 561746251 /nfs/dbraw/zinc/74/62/51/561746251.db2.gz CAZKPPOQQJGGBL-UHFFFAOYSA-N 1 2 554.720 5.027 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=[NH+]C[C@@H](C)O2)c1Cl ZINC000014963120 561748860 /nfs/dbraw/zinc/74/88/60/561748860.db2.gz FYCOIHUIEIWMMT-GFCCVEGCSA-N 1 2 582.897 5.823 1 0 KKAFLO CC[NH+](CC)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963038 561748866 /nfs/dbraw/zinc/74/88/66/561748866.db2.gz LIHSLAWJIRIYRU-UHFFFAOYSA-N 1 2 541.888 6.458 1 0 KKAFLO C[N@H+](CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963710 561749170 /nfs/dbraw/zinc/74/91/70/561749170.db2.gz QNIUXBDPJGNTPV-UHFFFAOYSA-N 1 2 512.846 5.637 1 0 KKAFLO C[N@@H+](CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963710 561749171 /nfs/dbraw/zinc/74/91/71/561749171.db2.gz QNIUXBDPJGNTPV-UHFFFAOYSA-N 1 2 512.846 5.637 1 0 KKAFLO Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3Br)cc2)c(COCc2ccccc2)[nH+]1 ZINC000014970729 561751084 /nfs/dbraw/zinc/75/10/84/561751084.db2.gz UXTOJBWHLPSCPP-UHFFFAOYSA-N 1 2 524.444 5.030 1 0 KKAFLO O=C(c1ccc(Cl)cc1)[C@@H](Nc1ccc(Cl)cc1)N[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025977855 561763680 /nfs/dbraw/zinc/76/36/80/561763680.db2.gz XKPZFHQUOCYFRH-ZCYQVOJMSA-N 1 2 534.274 7.149 1 0 KKAFLO O=S(=O)(c1cccc2cccnc21)N1Cc2ccccc2N(Cc2c[nH+]c[nH]2)[C@@H](CCc2ccccc2)C1 ZINC000025983328 561763968 /nfs/dbraw/zinc/76/39/68/561763968.db2.gz ZIZPPVVMLFRSCK-MHZLTWQESA-N 1 2 523.662 5.170 1 0 KKAFLO O=S(=O)(c1cccc2cccnc21)N1Cc2ccccc2N(Cc2c[nH]c[nH+]2)[C@@H](CCc2ccccc2)C1 ZINC000025983328 561763970 /nfs/dbraw/zinc/76/39/70/561763970.db2.gz ZIZPPVVMLFRSCK-MHZLTWQESA-N 1 2 523.662 5.170 1 0 KKAFLO COc1ccc([C@H](Cc2c(C)c[nH+]cc2C)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1OC1CCCC1 ZINC000026258241 561775092 /nfs/dbraw/zinc/77/50/92/561775092.db2.gz JKCZYJPBEUJZFZ-RUZDIDTESA-N 1 2 567.570 7.715 1 0 KKAFLO COc1cc(OC2CC[NH+](Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026265225 561776190 /nfs/dbraw/zinc/77/61/90/561776190.db2.gz MWGAPXFPGXOKLD-UHFFFAOYSA-N 1 2 640.659 5.152 1 0 KKAFLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270044 561776946 /nfs/dbraw/zinc/77/69/46/561776946.db2.gz IFCFNTZOGXOQEH-KVBYWJEESA-N 1 2 644.926 6.421 1 0 KKAFLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270044 561776948 /nfs/dbraw/zinc/77/69/48/561776948.db2.gz IFCFNTZOGXOQEH-KVBYWJEESA-N 1 2 644.926 6.421 1 0 KKAFLO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccc1Cl ZINC000026274066 561777898 /nfs/dbraw/zinc/77/78/98/561777898.db2.gz FHIKEQNYVZSIEI-KYJUHHDHSA-N 1 2 592.180 6.048 1 0 KKAFLO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccc1Cl ZINC000026274066 561777899 /nfs/dbraw/zinc/77/78/99/561777899.db2.gz FHIKEQNYVZSIEI-KYJUHHDHSA-N 1 2 592.180 6.048 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CCCCC1 ZINC000026382884 561783731 /nfs/dbraw/zinc/78/37/31/561783731.db2.gz NNBHDRJEVSYTPI-NGCAANIMSA-N 1 2 611.835 6.436 1 0 KKAFLO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CCCCC1 ZINC000026382884 561783733 /nfs/dbraw/zinc/78/37/33/561783733.db2.gz NNBHDRJEVSYTPI-NGCAANIMSA-N 1 2 611.835 6.436 1 0 KKAFLO Brc1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026569923 561797886 /nfs/dbraw/zinc/79/78/86/561797886.db2.gz CWDQEZGQGKIJBU-AREMUKBSSA-N 1 2 525.454 5.490 1 0 KKAFLO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000026571614 561798134 /nfs/dbraw/zinc/79/81/34/561798134.db2.gz FLCHWTIQFVHCMK-CONSDPRKSA-N 1 2 582.745 6.970 1 0 KKAFLO O=C1N(CCN2CC[NH+]([C@H]3C[C@@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668419 561811788 /nfs/dbraw/zinc/81/17/88/561811788.db2.gz IYXNMOCEVXJKKO-YTMVLYRLSA-N 1 2 519.064 5.616 1 0 KKAFLO O=C1N(CC[NH+]2CCN([C@H]3C[C@@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000026668419 561811789 /nfs/dbraw/zinc/81/17/89/561811789.db2.gz IYXNMOCEVXJKKO-YTMVLYRLSA-N 1 2 519.064 5.616 1 0 KKAFLO CCOC(=O)[C@@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669448 561812017 /nfs/dbraw/zinc/81/20/17/561812017.db2.gz PVTFSFOLZGVZIC-PMUGGPHNSA-N 1 2 729.985 5.100 1 0 KKAFLO CCOC(=O)[C@@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669448 561812018 /nfs/dbraw/zinc/81/20/18/561812018.db2.gz PVTFSFOLZGVZIC-PMUGGPHNSA-N 1 2 729.985 5.100 1 0 KKAFLO CCOC(=O)C1=C(c2ccc(-n3c[nH+]c(C)c3)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026846616 561826651 /nfs/dbraw/zinc/82/66/51/561826651.db2.gz OMVJLSXLSWVWJT-MHZLTWQESA-N 1 2 554.050 5.803 1 0 KKAFLO CC[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995055 561833105 /nfs/dbraw/zinc/83/31/05/561833105.db2.gz HWLKYGTXYNWEPH-WNOXWKSXSA-N 1 2 673.814 6.165 1 0 KKAFLO CC[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995055 561833107 /nfs/dbraw/zinc/83/31/07/561833107.db2.gz HWLKYGTXYNWEPH-WNOXWKSXSA-N 1 2 673.814 6.165 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(Cl)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027211988 561847310 /nfs/dbraw/zinc/84/73/10/561847310.db2.gz CAJIJFDDSSIIRU-IMRQLAEWSA-N 1 2 563.098 6.319 1 0 KKAFLO CCCCc1[nH+]c2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027326144 561853766 /nfs/dbraw/zinc/85/37/66/561853766.db2.gz BRTGYYMVGGPMTJ-UHFFFAOYSA-N 1 2 548.695 6.729 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000027517605 561861290 /nfs/dbraw/zinc/86/12/90/561861290.db2.gz ZLTDLCRGGGREQW-UMSFTDKQSA-N 1 2 604.776 6.902 1 0 KKAFLO COc1cc(OC)c(C(=O)O[C@H](CSc2ncnc3[nH]cnc32)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000027519543 561863174 /nfs/dbraw/zinc/86/31/74/561863174.db2.gz NHWYWTKUWFDDOD-MHZLTWQESA-N 1 2 690.773 5.382 1 0 KKAFLO S=C(NCCCNc1cccc[nH+]1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000027524696 561865771 /nfs/dbraw/zinc/86/57/71/561865771.db2.gz LSBNBXGDMFDJPP-UHFFFAOYSA-N 1 2 582.399 5.909 1 0 KKAFLO CC(C)OP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C ZINC000027625960 561873079 /nfs/dbraw/zinc/87/30/79/561873079.db2.gz QOOPUUQBNPENEC-YDPTYEFTSA-N 1 2 719.861 5.432 1 0 KKAFLO CC(C)OP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C ZINC000027625960 561873082 /nfs/dbraw/zinc/87/30/82/561873082.db2.gz QOOPUUQBNPENEC-YDPTYEFTSA-N 1 2 719.861 5.432 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027631848 561873975 /nfs/dbraw/zinc/87/39/75/561873975.db2.gz JKIQCSFZBAXVLB-UHFFFAOYSA-N 1 2 635.600 5.962 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)[nH+]c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000027631848 561873976 /nfs/dbraw/zinc/87/39/76/561873976.db2.gz JKIQCSFZBAXVLB-UHFFFAOYSA-N 1 2 635.600 5.962 1 0 KKAFLO COc1c(I)cc(C[C@H]2[NH2+]CCc3c(Br)c(O)c(Br)cc32)cc1I ZINC000027657069 561877925 /nfs/dbraw/zinc/87/79/25/561877925.db2.gz DUQWKKUGMYFWOL-CQSZACIVSA-N 1 2 678.928 5.565 1 0 KKAFLO CC(C)N(Cc1ccccc1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027863380 561887381 /nfs/dbraw/zinc/88/73/81/561887381.db2.gz NBIBLXJGEZZNGI-RUZDIDTESA-N 1 2 555.572 6.707 1 0 KKAFLO CC(C)N(Cc1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027863373 561887408 /nfs/dbraw/zinc/88/74/08/561887408.db2.gz NBIBLXJGEZZNGI-VWLOTQADSA-N 1 2 555.572 6.707 1 0 KKAFLO Cc1[nH+]cc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)n1Cc1ccccc1 ZINC000028103825 561902004 /nfs/dbraw/zinc/90/20/04/561902004.db2.gz DSHDAYCKUUJXPF-YTTGMZPUSA-N 1 2 552.638 5.583 1 0 KKAFLO CN(C)c1nc(NC2CCC(NC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028331528 561912813 /nfs/dbraw/zinc/91/28/13/561912813.db2.gz NTZDCPIPBYWRFF-UHFFFAOYSA-N 1 2 552.395 5.510 1 0 KKAFLO CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028334916 561913184 /nfs/dbraw/zinc/91/31/84/561913184.db2.gz LDCMGLYXOOMRFQ-UHFFFAOYSA-N 1 2 588.450 5.059 1 0 KKAFLO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234928 561909525 /nfs/dbraw/zinc/90/95/25/561909525.db2.gz FNYIZIMOYQIGJZ-AWJLRTIGSA-N 1 2 574.734 5.200 1 0 KKAFLO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234928 561909527 /nfs/dbraw/zinc/90/95/27/561909527.db2.gz FNYIZIMOYQIGJZ-AWJLRTIGSA-N 1 2 574.734 5.200 1 0 KKAFLO CC(=O)N1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1 ZINC000028347230 561915058 /nfs/dbraw/zinc/91/50/58/561915058.db2.gz ZFKSCQNGJJUYMW-UHFFFAOYSA-N 1 2 529.584 5.748 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCCN1[C@H]1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21 ZINC000028396684 561923170 /nfs/dbraw/zinc/92/31/70/561923170.db2.gz RTIZDEKMFQRQBY-WIOPSUGQSA-N 1 2 621.805 5.706 1 0 KKAFLO CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CC[NH+](CCO)CC1 ZINC000028467964 561926485 /nfs/dbraw/zinc/92/64/85/561926485.db2.gz PVRYEWOXWGDQHA-URLMMPGGSA-N 1 2 686.445 5.894 1 0 in-vivo KKAFLO CN(C)c1ccc(N2C(=O)C[C@H]3[C@H]([NH2+][C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 ZINC000028460449 561925071 /nfs/dbraw/zinc/92/50/71/561925071.db2.gz JFEMEKUOHMARQZ-NCJNGIRLSA-N 1 2 623.798 5.492 1 0 KKAFLO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@H+](CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028463736 561925919 /nfs/dbraw/zinc/92/59/19/561925919.db2.gz AMRRQMGAIIKDIN-UHFFFAOYSA-N 1 2 558.570 8.177 1 0 KKAFLO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@@H+](CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028463736 561925921 /nfs/dbraw/zinc/92/59/21/561925921.db2.gz AMRRQMGAIIKDIN-UHFFFAOYSA-N 1 2 558.570 8.177 1 0 KKAFLO CCCCO[C@@H]1Sc2ccc([C@H](Cn3cc[nH+]c3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530614 561934863 /nfs/dbraw/zinc/93/48/63/561934863.db2.gz YWSXPTSTTCVWOH-SQJMNOBHSA-N 1 2 500.020 5.346 1 0 KKAFLO Cc1cccc(NC(=O)N(C)Cc2ccc(-c3[nH]nc4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)c1 ZINC000028642617 561943654 /nfs/dbraw/zinc/94/36/54/561943654.db2.gz NEJMZWVLFRWQSG-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3ccc(C[NH+]5CCN(C)CC5)cc3-4)s2)c1 ZINC000028642617 561943655 /nfs/dbraw/zinc/94/36/55/561943655.db2.gz NEJMZWVLFRWQSG-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO CC(=O)Nc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5ccc(NC(C)=O)cc5)c3)C4)ccn2)cc1 ZINC000028707570 561950146 /nfs/dbraw/zinc/95/01/46/561950146.db2.gz SKLPWWJIGOTWAF-MEKGRNQZSA-N 1 2 560.702 5.576 1 0 KKAFLO CC(=O)Nc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5ccc(NC(C)=O)cc5)c3)C4)ccn2)cc1 ZINC000028707570 561950148 /nfs/dbraw/zinc/95/01/48/561950148.db2.gz SKLPWWJIGOTWAF-MEKGRNQZSA-N 1 2 560.702 5.576 1 0 KKAFLO CCCCc1[nH+]c2ccc(C3=NNC(=O)C[C@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028755789 561955860 /nfs/dbraw/zinc/95/58/60/561955860.db2.gz UIOODGFNLCGWIH-LJQANCHMSA-N 1 2 518.625 5.134 1 0 KKAFLO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028767993 561960290 /nfs/dbraw/zinc/96/02/90/561960290.db2.gz XQCCTVSDKOABAQ-UHFFFAOYSA-N 1 2 587.524 7.006 1 0 KKAFLO Cn1cnc(S(=O)(=O)N(CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816055 561963744 /nfs/dbraw/zinc/96/37/44/561963744.db2.gz FNBOSUPZXXYWTE-HKBQPEDESA-N 1 2 659.857 5.090 1 0 KKAFLO CN(C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000028949700 561980724 /nfs/dbraw/zinc/98/07/24/561980724.db2.gz DSRLBJZTBBAOST-QHCPKHFHSA-N 1 2 513.642 5.274 1 0 KKAFLO CN(C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000028949700 561980726 /nfs/dbraw/zinc/98/07/26/561980726.db2.gz DSRLBJZTBBAOST-QHCPKHFHSA-N 1 2 513.642 5.274 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 ZINC000028952646 561982053 /nfs/dbraw/zinc/98/20/53/561982053.db2.gz UYIWWPVGOXBKMR-UHFFFAOYSA-N 1 2 607.154 7.274 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000028952646 561982054 /nfs/dbraw/zinc/98/20/54/561982054.db2.gz UYIWWPVGOXBKMR-UHFFFAOYSA-N 1 2 607.154 7.274 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 ZINC000028952797 561982225 /nfs/dbraw/zinc/98/22/25/561982225.db2.gz OJNLSYWAXFMMKJ-UHFFFAOYSA-N 1 2 607.154 7.274 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 ZINC000028952797 561982227 /nfs/dbraw/zinc/98/22/27/561982227.db2.gz OJNLSYWAXFMMKJ-UHFFFAOYSA-N 1 2 607.154 7.274 1 0 KKAFLO CN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)ns3)cc2)nc[nH+]1 ZINC000028953247 561982315 /nfs/dbraw/zinc/98/23/15/561982315.db2.gz ZOTXREFTVLTGPQ-UHFFFAOYSA-N 1 2 503.485 5.215 1 0 KKAFLO Nc1ccccc1NC(=O)c1cc2ccc([C@H](C(=O)NCc3ccccc3)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2s1 ZINC000028976403 561986862 /nfs/dbraw/zinc/98/68/62/561986862.db2.gz UUIOKFLHJRXPAQ-XUVRXTJGSA-N 1 2 615.803 6.424 1 0 KKAFLO Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCC[NH+]4CCOCC4)cc3s2)cc1 ZINC000029037229 561988454 /nfs/dbraw/zinc/98/84/54/561988454.db2.gz TWGZILOJVHVTLA-UHFFFAOYSA-N 1 2 519.696 5.167 1 0 KKAFLO C[NH+]1CCN(C(=O)N([C@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000029126076 561998416 /nfs/dbraw/zinc/99/84/16/561998416.db2.gz KKYKUPVNNDIIKV-HKBQPEDESA-N 1 2 713.253 5.257 1 0 KKAFLO COc1ccc(-c2nc(SCCCCCN(CCCn3cc[nH+]c3)C(=O)NC(C)C)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000029464613 562023825 /nfs/dbraw/zinc/02/38/25/562023825.db2.gz SWKBOKPQXBIQHQ-UHFFFAOYSA-N 1 2 590.794 6.730 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[N@H+](C)CCc4ccccn4)n3c2=O)c1 ZINC000029466904 562024648 /nfs/dbraw/zinc/02/46/48/562024648.db2.gz AGCGNLBZIDUYNA-UHFFFAOYSA-N 1 2 567.709 6.034 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[N@@H+](C)CCc4ccccn4)n3c2=O)c1 ZINC000029466904 562024650 /nfs/dbraw/zinc/02/46/50/562024650.db2.gz AGCGNLBZIDUYNA-UHFFFAOYSA-N 1 2 567.709 6.034 1 0 KKAFLO NC(=O)[C@H](Cc1ccc(O)cc1)[N@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccc(Br)cc1 ZINC000029562975 562033646 /nfs/dbraw/zinc/03/36/46/562033646.db2.gz SOBPOFPCTSXOHD-DEOSSOPVSA-N 1 2 540.845 5.562 1 0 KKAFLO NC(=O)[C@H](Cc1ccc(O)cc1)[N@@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccc(Br)cc1 ZINC000029562975 562033648 /nfs/dbraw/zinc/03/36/48/562033648.db2.gz SOBPOFPCTSXOHD-DEOSSOPVSA-N 1 2 540.845 5.562 1 0 KKAFLO CCNc1cccnc1N1CC[NH+](CC(=O)[C@H]2[C@H](C)C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000034337357 562038837 /nfs/dbraw/zinc/03/88/37/562038837.db2.gz ZJOVANLWKDPSMI-BUAHBSJASA-N 1 2 528.741 5.295 1 0 KKAFLO COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12 ZINC000034327292 562038894 /nfs/dbraw/zinc/03/88/94/562038894.db2.gz TVJZPCWJLIDBMN-UHFFFAOYSA-N 1 2 524.665 6.684 1 0 KKAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(Br)c1 ZINC000036330409 562055802 /nfs/dbraw/zinc/05/58/02/562055802.db2.gz DIBXXBYKQOAPHR-MHZLTWQESA-N 1 2 517.427 5.569 1 0 KKAFLO Cc1cc(C)cc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338830 562057258 /nfs/dbraw/zinc/05/72/58/562057258.db2.gz KWHMNEURGOHDLA-UHFFFAOYSA-N 1 2 526.710 5.395 1 0 KKAFLO Cc1cc(C)cc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338830 562057260 /nfs/dbraw/zinc/05/72/60/562057260.db2.gz KWHMNEURGOHDLA-UHFFFAOYSA-N 1 2 526.710 5.395 1 0 KKAFLO Cc1cc(C)cc(NC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338830 562057262 /nfs/dbraw/zinc/05/72/62/562057262.db2.gz KWHMNEURGOHDLA-UHFFFAOYSA-N 1 2 526.710 5.395 1 0 KKAFLO COc1cc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000038140559 562063065 /nfs/dbraw/zinc/06/30/65/562063065.db2.gz VNKNBIXLMCMPSQ-HSZRJFAPSA-N 1 2 575.658 5.357 3 0 KKAFLO Nc1cc(Cl)ccc1CN1C(=O)c2cc(I)ccc2N(CCC[NH+]2CCOCC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377668 562071638 /nfs/dbraw/zinc/07/16/38/562071638.db2.gz DIRPNNUWQMTLTK-MHZLTWQESA-N 1 2 679.386 5.633 1 0 KKAFLO CC(C)c1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000040973809 562087044 /nfs/dbraw/zinc/08/70/44/562087044.db2.gz MZQRLEMYMVXCLQ-UHFFFAOYSA-N 1 2 514.698 8.611 1 0 KKAFLO C/C=C(\C)C(=O)O[C@]1(C)CC[C@@H](CCCOC)[C@H](c2cc[nH+]c(N)c2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594664 560064315 /nfs/dbraw/zinc/06/43/15/560064315.db2.gz JMQLERVFSXUJFD-AIHZZVGCSA-N 1 2 532.637 5.332 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(O)=CC(=O)CCCC2CCCCC2)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631532 560067786 /nfs/dbraw/zinc/06/77/86/560067786.db2.gz IEUSJIQVTQLLCQ-UBOZLPQGSA-N 1 2 574.742 5.687 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)C=C(O)CCCC2CCCCC2)cc([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631532 560067788 /nfs/dbraw/zinc/06/77/88/560067788.db2.gz IEUSJIQVTQLLCQ-UBOZLPQGSA-N 1 2 574.742 5.687 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCC[C@@H]3CC[C@H](C(C)C)[C@@H](C3)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629367 560068563 /nfs/dbraw/zinc/06/85/63/560068563.db2.gz TZTMBPHEOFBDPY-MQDPCNBYSA-N 1 2 594.793 7.110 1 0 biogenic,in-vitro KKAFLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000043065928 562645357 /nfs/dbraw/zinc/64/53/57/562645357.db2.gz WMYSVTHOKCTZBS-QNGWXLTQSA-N 1 2 619.721 7.395 1 0 KKAFLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000043065928 562645358 /nfs/dbraw/zinc/64/53/58/562645358.db2.gz WMYSVTHOKCTZBS-QNGWXLTQSA-N 1 2 619.721 7.395 1 0 KKAFLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]cc(C(=O)NCc1ccccc1)c2Nc1ccccc1C(C)(C)C ZINC000045194104 562658784 /nfs/dbraw/zinc/65/87/84/562658784.db2.gz FEIXIAPLKBLQHE-UHFFFAOYSA-N 1 2 504.634 7.478 1 0 KKAFLO CC(C)([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045228352 562659535 /nfs/dbraw/zinc/65/95/35/562659535.db2.gz MJPUCKOPBGALBX-UHFFFAOYSA-N 1 2 502.924 6.421 1 0 KKAFLO CC(C)([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000045228352 562659536 /nfs/dbraw/zinc/65/95/36/562659536.db2.gz MJPUCKOPBGALBX-UHFFFAOYSA-N 1 2 502.924 6.421 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3cccs3)[C@@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000045300874 562660500 /nfs/dbraw/zinc/66/05/00/562660500.db2.gz RFJDVEYBRCKJIW-SAKIYQKGSA-N 1 2 508.687 7.108 1 0 KKAFLO Cc1ccc([C@H]2[C@@H](c3cccs3)[C@@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000045300874 562660501 /nfs/dbraw/zinc/66/05/01/562660501.db2.gz RFJDVEYBRCKJIW-SAKIYQKGSA-N 1 2 508.687 7.108 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CCN(C5CCCCC5)C4=O)cc3F)c2cc1OC ZINC000045318339 562660945 /nfs/dbraw/zinc/66/09/45/562660945.db2.gz JHUZYTFKCRADAF-UHFFFAOYSA-N 1 2 508.550 5.786 1 0 KKAFLO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045337890 562661450 /nfs/dbraw/zinc/66/14/50/562661450.db2.gz SSULWRYWQAAWNT-FWUCURJTSA-N 1 2 534.100 5.315 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000049052057 562663819 /nfs/dbraw/zinc/66/38/19/562663819.db2.gz JCBOASBUXVOTSK-UHFFFAOYSA-N 1 2 514.387 5.465 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049089010 562664380 /nfs/dbraw/zinc/66/43/80/562664380.db2.gz URJAQUYCRCFSSV-LJAQVGFWSA-N 1 2 518.444 6.493 1 0 KKAFLO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)cc4)c3)nc2c1 ZINC000049604937 562665095 /nfs/dbraw/zinc/66/50/95/562665095.db2.gz WIUGXKFJDPSVFB-UHFFFAOYSA-N 1 2 524.550 6.786 1 0 KKAFLO FC(F)(F)c1ccc2nc(-c3cccc(-c4ccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)cc4)c3)[nH]c2c1 ZINC000049604937 562665096 /nfs/dbraw/zinc/66/50/96/562665096.db2.gz WIUGXKFJDPSVFB-UHFFFAOYSA-N 1 2 524.550 6.786 1 0 KKAFLO C[C@@H]1CN(c2ccc(NC(=O)c3ccsc3)cc2C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000049604987 562665175 /nfs/dbraw/zinc/66/51/75/562665175.db2.gz NMNPPJSWQFRRAM-DNQXCXABSA-N 1 2 574.791 5.870 1 0 KKAFLO COc1ccccc1C1CC[NH+](Cc2csc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)n2)CC1 ZINC000049605368 562665738 /nfs/dbraw/zinc/66/57/38/562665738.db2.gz RMONAJIDBUPJSB-UHFFFAOYSA-N 1 2 551.634 7.469 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccc(C)cc3)[C@]3(C[N@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049695569 562670816 /nfs/dbraw/zinc/67/08/16/562670816.db2.gz BHOCRXLPQVPROH-UFSQBELCSA-N 1 2 516.685 7.355 1 0 KKAFLO Cc1ccc([C@@H]2[C@H](c3ccc(C)cc3)[C@]3(C[N@@H+]([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049695569 562670817 /nfs/dbraw/zinc/67/08/17/562670817.db2.gz BHOCRXLPQVPROH-UFSQBELCSA-N 1 2 516.685 7.355 1 0 KKAFLO O=C(NC1CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000049710618 562671799 /nfs/dbraw/zinc/67/17/99/562671799.db2.gz WTGVHUXKAMERNY-XIFFEERXSA-N 1 2 613.029 7.495 1 0 KKAFLO COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)[NH+](C)C ZINC000049733690 562673324 /nfs/dbraw/zinc/67/33/24/562673324.db2.gz JFKOXSSOMYGNRF-BFBDJJBKSA-N 1 2 621.856 5.286 1 0 KKAFLO COc1cc(CNC(=O)CC(C)(C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049757130 562675583 /nfs/dbraw/zinc/67/55/83/562675583.db2.gz RSHYCYNXYJLWEN-JGCGQSQUSA-N 1 2 608.179 5.722 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)nn1)OC1CCCC1 ZINC000049780065 562681321 /nfs/dbraw/zinc/68/13/21/562681321.db2.gz ZAFCQMYLJNAAJA-PXLJZGITSA-N 1 2 647.824 5.271 1 0 KKAFLO CCn1c[nH+]cc1[C@@](OC)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049784768 562683770 /nfs/dbraw/zinc/68/37/70/562683770.db2.gz GUEWNGXEPLLHQQ-GDLZYMKVSA-N 1 2 551.996 7.032 1 0 KKAFLO O=C(Nc1ccc(Oc2ccc(-c3[nH]cc[nH+]3)cc2)cc1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000049807415 562686367 /nfs/dbraw/zinc/68/63/67/562686367.db2.gz HQLRQHWZMZHIQG-UHFFFAOYSA-N 1 2 517.305 7.294 1 0 KKAFLO O=C(CO)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(F)c4F)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049841143 562688040 /nfs/dbraw/zinc/68/80/40/562688040.db2.gz RPCKRDIEHAAFNR-AYWVHJORSA-N 1 2 654.129 5.279 1 0 KKAFLO CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4ccccc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)[NH2+]2 ZINC000049841572 562688510 /nfs/dbraw/zinc/68/85/10/562688510.db2.gz PFZAERRMLXHUIP-MXBOTTGLSA-N 1 2 653.050 7.196 1 0 KKAFLO O=C(C=Cc1ccc(Sc2ccccc2OCc2c[nH]c[nH+]2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881515 562690888 /nfs/dbraw/zinc/69/08/88/562690888.db2.gz VZSWCQOTQDDSHT-SOFGYWHQSA-N 1 2 557.516 6.050 1 0 KKAFLO O=C(C=Cc1ccc(Sc2ccccc2OCc2c[nH+]c[nH]2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881515 562690889 /nfs/dbraw/zinc/69/08/89/562690889.db2.gz VZSWCQOTQDDSHT-SOFGYWHQSA-N 1 2 557.516 6.050 1 0 KKAFLO CC(C)(C)c1ccc(C(=O)Nc2cccc(Nc3c(C(=O)NCc4cccc(C(F)(F)F)c4)c[nH+]c4c(O)cccc34)c2)cc1 ZINC000049917738 562693826 /nfs/dbraw/zinc/69/38/26/562693826.db2.gz CQDKAILGGNIKNJ-UHFFFAOYSA-N 1 2 612.652 8.183 1 0 KKAFLO CCOC(=O)C1CC[NH+](CCOc2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2Br)CC1 ZINC000049918052 562694413 /nfs/dbraw/zinc/69/44/13/562694413.db2.gz BRBLWTDPPUKQCU-JXMROGBWSA-N 1 2 535.866 5.408 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@H](N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)cc2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938432 562695275 /nfs/dbraw/zinc/69/52/75/562695275.db2.gz NFJDSOMCPXKCAN-VPHSWYRMSA-N 1 2 722.930 9.005 1 0 KKAFLO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)(C)O)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000049938406 562695278 /nfs/dbraw/zinc/69/52/78/562695278.db2.gz XIKLJIKFVNUIBL-UHFFFAOYSA-N 1 2 657.783 7.237 1 0 KKAFLO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)(C)O)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000049938406 562695279 /nfs/dbraw/zinc/69/52/79/562695279.db2.gz XIKLJIKFVNUIBL-UHFFFAOYSA-N 1 2 657.783 7.237 1 0 KKAFLO CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(CNc1cccc[nH+]1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000049942235 562695365 /nfs/dbraw/zinc/69/53/65/562695365.db2.gz ZHEOLVMYMHZNDJ-UHFFFAOYSA-N 1 2 738.705 6.459 1 0 KKAFLO O=C(NCc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)cc1)c1ccccn1 ZINC000052716711 562695893 /nfs/dbraw/zinc/69/58/93/562695893.db2.gz AZNHTGDMBGMJKB-NDEPHWFRSA-N 1 2 502.622 5.363 1 0 KKAFLO O=C(NCc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)cc1)c1ccccn1 ZINC000052716711 562695894 /nfs/dbraw/zinc/69/58/94/562695894.db2.gz AZNHTGDMBGMJKB-NDEPHWFRSA-N 1 2 502.622 5.363 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000053007053 562696105 /nfs/dbraw/zinc/69/61/05/562696105.db2.gz BXOKIJAEZHPQKJ-HHHXNRCGSA-N 1 2 519.670 6.184 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000053007053 562696106 /nfs/dbraw/zinc/69/61/06/562696106.db2.gz BXOKIJAEZHPQKJ-HHHXNRCGSA-N 1 2 519.670 6.184 1 0 KKAFLO CSc1nc(Nc2[nH+]ccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053293738 562697229 /nfs/dbraw/zinc/69/72/29/562697229.db2.gz VFVRHOQQKYTMPN-UHFFFAOYSA-N 1 2 526.466 6.789 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)nc(NCCN3CCOCC3)n2)cc1 ZINC000053297791 562697468 /nfs/dbraw/zinc/69/74/68/562697468.db2.gz XTZHBJKYNZXAEA-UHFFFAOYSA-N 1 2 608.547 5.811 1 0 KKAFLO CC(C)(C)c1cc(C(=O)Cn2c3cc(-c4ccccc4)ccc3[nH+]c2NCCCO)cc(C(C)(C)C)c1O ZINC000053312722 562697597 /nfs/dbraw/zinc/69/75/97/562697597.db2.gz SCDSFTUJVQFLHO-UHFFFAOYSA-N 1 2 513.682 6.681 1 0 KKAFLO CC(=O)N(C)c1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583775 562700181 /nfs/dbraw/zinc/70/01/81/562700181.db2.gz IWCXDKZJMJIYKW-UHFFFAOYSA-N 1 2 516.089 6.343 1 0 KKAFLO C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000058591330 562700438 /nfs/dbraw/zinc/70/04/38/562700438.db2.gz XAEATFZFGRMBDN-GOSISDBHSA-N 1 2 593.631 6.243 1 0 KKAFLO CC(C)[C@H]([NH2+]CCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058591618 562700461 /nfs/dbraw/zinc/70/04/61/562700461.db2.gz UQWZALHJTQAIDE-PMERELPUSA-N 1 2 535.644 5.973 1 0 KKAFLO O=C1N(c2cccc(Cl)c2)[C@H](c2ccccn2)C12CCN(c1[nH]c3cc(C(F)(F)F)c(F)cc3[nH+]1)CC2 ZINC000058603499 562700881 /nfs/dbraw/zinc/70/08/81/562700881.db2.gz BPPDNWBUKUHLNZ-JOCHJYFZSA-N 1 2 529.925 6.144 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000058621719 562701103 /nfs/dbraw/zinc/70/11/03/562701103.db2.gz XGBXESVSCSHHQI-IBGZPJMESA-N 1 2 506.093 5.347 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000058621719 562701104 /nfs/dbraw/zinc/70/11/04/562701104.db2.gz XGBXESVSCSHHQI-IBGZPJMESA-N 1 2 506.093 5.347 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000058649567 562701264 /nfs/dbraw/zinc/70/12/64/562701264.db2.gz XLAYTQSXXHBEQX-NDOVKIIASA-N 1 2 596.680 5.972 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000058649567 562701265 /nfs/dbraw/zinc/70/12/65/562701265.db2.gz XLAYTQSXXHBEQX-NDOVKIIASA-N 1 2 596.680 5.972 1 0 KKAFLO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)n2)cc1 ZINC000059970851 562702487 /nfs/dbraw/zinc/70/24/87/562702487.db2.gz YWNCCNKYQMJDTQ-UHFFFAOYSA-N 1 2 619.813 5.570 1 0 KKAFLO CNc1ncnc2c(CNc3cc(NC(=O)c4ccc(Cl)c(-n5c[nH+]c(C)c5)c4)ccc3C)cccc12 ZINC000064539787 562707632 /nfs/dbraw/zinc/70/76/32/562707632.db2.gz SOKVBDWSHKXOEZ-UHFFFAOYSA-N 1 2 512.017 5.992 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(N3CCCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064573474 562708696 /nfs/dbraw/zinc/70/86/96/562708696.db2.gz RVTWSZCNDNZGLF-UHFFFAOYSA-N 1 2 522.497 5.858 1 0 KKAFLO Cc1ccccc1Nc1nc(NCc2ccccc2)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000066073882 562709580 /nfs/dbraw/zinc/70/95/80/562709580.db2.gz FETDJDVHBBEIKO-UHFFFAOYSA-N 1 2 559.077 8.225 1 0 KKAFLO Cc1cc2c(cnn2-c2ccc([NH2+]C(C)C)cc2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066098631 562710947 /nfs/dbraw/zinc/71/09/47/562710947.db2.gz YZAWQDLRXQHILA-QHCPKHFHSA-N 1 2 519.715 5.858 1 0 KKAFLO O=C(NCC[C@@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000071329782 562719016 /nfs/dbraw/zinc/71/90/16/562719016.db2.gz GTBCNDPVHSBZNR-JOCHJYFZSA-N 1 2 512.456 5.845 1 0 KKAFLO S=C1N=C2C(=Cc3ccccc3Br)C[N@H+](Cc3ccccc3)CC2[C@@H](c2ccccc2Br)N1 ZINC000071416532 562720200 /nfs/dbraw/zinc/72/02/00/562720200.db2.gz MNEYMUGVHCOKOE-OGDGDXASSA-N 1 2 581.377 6.584 1 0 KKAFLO S=C1N=C2C(=Cc3ccccc3Br)C[N@@H+](Cc3ccccc3)CC2[C@@H](c2ccccc2Br)N1 ZINC000071416532 562720201 /nfs/dbraw/zinc/72/02/01/562720201.db2.gz MNEYMUGVHCOKOE-OGDGDXASSA-N 1 2 581.377 6.584 1 0 KKAFLO O=C(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101894 562720247 /nfs/dbraw/zinc/72/02/47/562720247.db2.gz YGWPNWALTMWPRE-QFIPXVFZSA-N 1 2 508.466 5.498 1 0 KKAFLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101290 562720264 /nfs/dbraw/zinc/72/02/64/562720264.db2.gz DQUUEQRGCDHDRL-JOCHJYFZSA-N 1 2 544.521 5.047 1 0 KKAFLO CC(C)(C)OC(=O)NCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109348 562721587 /nfs/dbraw/zinc/72/15/87/562721587.db2.gz MBCJQMPDKPWVGY-HHHXNRCGSA-N 1 2 549.425 5.495 1 0 KKAFLO Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1OC(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072121309 562724198 /nfs/dbraw/zinc/72/41/98/562724198.db2.gz PHZUPHKUYCEUDA-LZZUIANGSA-N 1 2 523.599 6.213 3 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](c1cc2ccccc2o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072123489 562724720 /nfs/dbraw/zinc/72/47/20/562724720.db2.gz ADHPBAAQLYHJCU-OHTHEKBTSA-N 1 2 504.638 5.446 3 0 KKAFLO COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCSC(=S)N1CC[NH+](C)CC1 ZINC000072128860 562726371 /nfs/dbraw/zinc/72/63/71/562726371.db2.gz ZTXSVZVSFZPUAM-UHFFFAOYSA-N 1 2 642.222 6.788 1 0 KKAFLO C[C@H](O)[C@@H]1C[N@@H+]2CCc3c4cc(-c5ccc6c(c5)OCO6)ccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000072142436 562729539 /nfs/dbraw/zinc/72/95/39/562729539.db2.gz PFMUSUJRHLVRNN-NXJWQGAFSA-N 1 2 607.538 6.703 3 0 KKAFLO C[C@H](O)[C@@H]1C[N@H+]2CCc3c4cc(-c5ccc6c(c5)OCO6)ccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000072142436 562729540 /nfs/dbraw/zinc/72/95/40/562729540.db2.gz PFMUSUJRHLVRNN-NXJWQGAFSA-N 1 2 607.538 6.703 3 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNC(=O)C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147686 562729826 /nfs/dbraw/zinc/72/98/26/562729826.db2.gz PEYSYYWOEPQTDT-IHLOFXLRSA-N 1 2 685.092 7.324 1 0 KKAFLO CCNC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 ZINC000072181237 562732658 /nfs/dbraw/zinc/73/26/58/562732658.db2.gz YYUXPUISOAQNJU-PMERELPUSA-N 1 2 537.639 5.139 1 0 KKAFLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 ZINC000072181251 562732716 /nfs/dbraw/zinc/73/27/16/562732716.db2.gz LXPTUYINJHUIPI-XIFFEERXSA-N 1 2 564.705 6.477 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cn2)c(Cl)c1 ZINC000073197448 562735383 /nfs/dbraw/zinc/73/53/83/562735383.db2.gz UCHUVTMUZALGSI-RUZDIDTESA-N 1 2 603.934 5.304 1 0 KKAFLO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073199310 562735987 /nfs/dbraw/zinc/73/59/87/562735987.db2.gz RNTYDULTUVCNFZ-JGCGQSQUSA-N 1 2 624.609 6.080 1 0 KKAFLO Cc1cc2[nH+]c(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000073351276 562738245 /nfs/dbraw/zinc/73/82/45/562738245.db2.gz BMADZPTYHVFWDL-UHFFFAOYSA-N 1 2 504.653 7.387 3 0 KKAFLO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082140415 562739437 /nfs/dbraw/zinc/73/94/37/562739437.db2.gz JGPSSQGYQVQYRQ-SSEXGKCCSA-N 1 2 639.580 5.357 1 0 KKAFLO CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140371 562739475 /nfs/dbraw/zinc/73/94/75/562739475.db2.gz BWOXANOVZPWRBG-WJOKGBTCSA-N 1 2 688.052 5.588 1 0 KKAFLO CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140588 562739493 /nfs/dbraw/zinc/73/94/93/562739493.db2.gz YIUDIONWONWPEW-SSEXGKCCSA-N 1 2 688.052 5.935 1 0 KKAFLO COc1cc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@@H+]32)cc(OC)c1OC ZINC000082149565 562739722 /nfs/dbraw/zinc/73/97/22/562739722.db2.gz XGQVQLKPIYUGJM-DPQOWFAMSA-N 1 2 556.503 6.923 1 0 KKAFLO COc1cc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@H+]32)cc(OC)c1OC ZINC000082149565 562739723 /nfs/dbraw/zinc/73/97/23/562739723.db2.gz XGQVQLKPIYUGJM-DPQOWFAMSA-N 1 2 556.503 6.923 1 0 KKAFLO COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082151721 562739961 /nfs/dbraw/zinc/73/99/61/562739961.db2.gz XNJIHPFHAQBHEH-WJOKGBTCSA-N 1 2 653.607 5.400 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC(=O)NC4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082152994 562740098 /nfs/dbraw/zinc/74/00/98/562740098.db2.gz MTIKELIEGFXEJL-GDLZYMKVSA-N 1 2 701.051 5.125 1 0 KKAFLO O=C(Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1)NC1CC1 ZINC000082155832 562740588 /nfs/dbraw/zinc/74/05/88/562740588.db2.gz KRVKHCRNRJAZDQ-JGCGQSQUSA-N 1 2 649.619 5.322 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CCNC(=O)COC(C)(C)C)ccc2Cl)C2CC2)cc1 ZINC000082156447 562740709 /nfs/dbraw/zinc/74/07/09/562740709.db2.gz UARUUKZMPXUXNM-PGUFJCEWSA-N 1 2 735.322 5.304 1 0 KKAFLO O=C(NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1)C1CC1 ZINC000082156675 562740753 /nfs/dbraw/zinc/74/07/53/562740753.db2.gz VKSICNJUEUNUOQ-JGCGQSQUSA-N 1 2 649.619 5.527 1 0 KKAFLO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCOCC3)ccn2)cc2c[nH]nc21 ZINC000084603742 562744238 /nfs/dbraw/zinc/74/42/38/562744238.db2.gz KHJPBNRCLIOCCW-JGCGQSQUSA-N 1 2 606.727 5.240 1 0 KKAFLO O=C(NCCCCCCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)c1cc(O)c2c(O)cc(=O)cc-2o1 ZINC000084619667 562745329 /nfs/dbraw/zinc/74/53/29/562745329.db2.gz AWEIPXRUFDVNHO-UHFFFAOYSA-N 1 2 626.581 7.901 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccc(F)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084707610 562750123 /nfs/dbraw/zinc/75/01/23/562750123.db2.gz CMYRNZFWVJZQTQ-UHFFFAOYSA-N 1 2 573.676 6.304 1 0 KKAFLO CC(C)Cc1ccc([C@@H](C)c2[nH+]c3cc(OCc4ccccn4)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713281 562750882 /nfs/dbraw/zinc/75/08/82/562750882.db2.gz VTROTSTZAVOQTL-HSZRJFAPSA-N 1 2 510.081 8.062 1 0 KKAFLO COCCN(C(=O)c1sccc1Cl)[C@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884066 562753081 /nfs/dbraw/zinc/75/30/81/562753081.db2.gz VYQHDBXDUIVOEH-FTJBHMTQSA-N 1 2 508.087 5.449 1 0 KKAFLO Cc1cccc(-c2ccc(Cn3c[nH+]cc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)c1 ZINC000085679156 562753359 /nfs/dbraw/zinc/75/33/59/562753359.db2.gz LSYCAFDLJXFOJJ-UHFFFAOYSA-N 1 2 562.742 9.463 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000095544140 562757642 /nfs/dbraw/zinc/75/76/42/562757642.db2.gz YZFTVGIGQKRBNP-FIBWVYCGSA-N 1 2 756.093 8.413 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH+](CCCCCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000095544762 562757840 /nfs/dbraw/zinc/75/78/40/562757840.db2.gz OXFSANVEEVGUSC-OKRUAUFTSA-N 1 2 777.479 6.197 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH+](CCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000095544763 562757848 /nfs/dbraw/zinc/75/78/48/562757848.db2.gz OXFSANVEEVGUSC-URBDOXFBSA-N 1 2 777.479 6.197 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1 ZINC000095557059 562762014 /nfs/dbraw/zinc/76/20/14/562762014.db2.gz MJKNTWQJIQWFEI-MGBGTMOVSA-N 1 2 707.252 7.644 1 0 KKAFLO CCCCc1sc(-c2ccc(OCC[NH+](C)C)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560627 562763109 /nfs/dbraw/zinc/76/31/09/562763109.db2.gz DINSVYZSKVTTPZ-UHFFFAOYSA-N 1 2 507.099 8.206 1 0 KKAFLO CCCCc1sc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560595 562763125 /nfs/dbraw/zinc/76/31/25/562763125.db2.gz KIXCXNFESLYJEK-UHFFFAOYSA-N 1 2 561.191 9.520 1 0 KKAFLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(/C=C2/C(=O)N(Cc3ccc(/C=C4/C(=O)Nc5ccccc54)o3)c3ccc(F)cc32)o1 ZINC000095564105 562764179 /nfs/dbraw/zinc/76/41/79/562764179.db2.gz WWSZYEOTWVITEA-ARPCLEOFSA-N 1 2 607.638 6.119 1 0 KKAFLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C2/C(=O)N(Cc3ccc(/C=C4/C(=O)Nc5ccccc54)o3)c3ccc(F)cc32)o1 ZINC000095564105 562764180 /nfs/dbraw/zinc/76/41/80/562764180.db2.gz WWSZYEOTWVITEA-ARPCLEOFSA-N 1 2 607.638 6.119 1 0 KKAFLO COc1ccc2c(c1)nc(-c1cccc(Br)c1)c(=O)n2[C@@H](c1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000095566697 562765223 /nfs/dbraw/zinc/76/52/23/562765223.db2.gz QQYJDWYXJQUWOE-AREMUKBSSA-N 1 2 538.405 5.744 3 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568757 562766889 /nfs/dbraw/zinc/76/68/89/562766889.db2.gz CGLNLVFPHXEQAP-BATDWUPUSA-N 1 2 653.529 7.008 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568757 562766890 /nfs/dbraw/zinc/76/68/90/562766890.db2.gz CGLNLVFPHXEQAP-BATDWUPUSA-N 1 2 653.529 7.008 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1OC(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095569061 562767095 /nfs/dbraw/zinc/76/70/95/562767095.db2.gz ZMFIUHOSFOIYSZ-CWBDRXANSA-N 1 2 548.613 5.598 3 0 KKAFLO COc1cc([C@@H]2CN(C(C)=O)C[C@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1c[nH+]c(C)c1 ZINC000095574842 562770108 /nfs/dbraw/zinc/77/01/08/562770108.db2.gz OPHATNOHDVCYDF-YJHYVVDTSA-N 1 2 518.633 5.034 1 0 KKAFLO CC(C)C1=C(C(=O)N2CC[NH+](C)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095577263 562770868 /nfs/dbraw/zinc/77/08/68/562770868.db2.gz DTVJIGRFFPECGQ-JTHBVZDNSA-N 1 2 515.510 5.836 1 0 KKAFLO O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)OCC[NH+]2CCOCC2)c1 ZINC000095579623 562771592 /nfs/dbraw/zinc/77/15/92/562771592.db2.gz KNKKZWPDCMPLGC-XYOKQWHBSA-N 1 2 530.665 5.175 1 0 KKAFLO COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1cc[nH+]c(N[C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000095591670 562775687 /nfs/dbraw/zinc/77/56/87/562775687.db2.gz LNKSHWILIURXAN-XMMPIXPASA-N 1 2 518.621 5.457 1 0 KKAFLO Cc1cc(NC2CC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NC5CC5)cc(C)[nH+]4)cc3)cc2)n1 ZINC000095593411 562776238 /nfs/dbraw/zinc/77/62/38/562776238.db2.gz APGWQWGUUJLHMH-UHFFFAOYSA-N 1 2 580.737 7.147 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccc2ccccc21)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095599673 562778203 /nfs/dbraw/zinc/77/82/03/562778203.db2.gz PDQZORCNBJFEPE-SSEXGKCCSA-N 1 2 529.648 5.502 3 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](c1cccc2ccccc21)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095599674 562778230 /nfs/dbraw/zinc/77/82/30/562778230.db2.gz PDQZORCNBJFEPE-PMERELPUSA-N 1 2 529.648 5.502 3 0 KKAFLO O=C(Nc1cc(Br)ccc1N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095601220 562779502 /nfs/dbraw/zinc/77/95/02/562779502.db2.gz AJPRRCFTXUILRU-RXJYLVDRSA-N 1 2 676.571 6.098 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000095601774 562779774 /nfs/dbraw/zinc/77/97/74/562779774.db2.gz IGGUDRDMSJYMRQ-UHFFFAOYSA-N 1 2 618.134 6.348 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095601981 562779862 /nfs/dbraw/zinc/77/98/62/562779862.db2.gz LGFCYAUQAJYOOY-XDAUYTPDSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095601981 562779863 /nfs/dbraw/zinc/77/98/63/562779863.db2.gz LGFCYAUQAJYOOY-XDAUYTPDSA-N 1 2 711.869 6.495 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603017 562780258 /nfs/dbraw/zinc/78/02/58/562780258.db2.gz FDDMFJKLVOMWML-HOPFVHLTSA-N 1 2 703.683 7.704 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603017 562780259 /nfs/dbraw/zinc/78/02/59/562780259.db2.gz FDDMFJKLVOMWML-HOPFVHLTSA-N 1 2 703.683 7.704 1 0 KKAFLO O=C(Nc1cccc(-c2cccnc2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095603154 562780397 /nfs/dbraw/zinc/78/03/97/562780397.db2.gz LKLSIUSCBYEVGV-UHFFFAOYSA-N 1 2 520.677 6.137 1 0 KKAFLO Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(C[NH+]6CCOCC6)cc5)cc43)cc2Cl)c1 ZINC000095603836 562780702 /nfs/dbraw/zinc/78/07/02/562780702.db2.gz HIOSUYAPWDJMPN-UHFFFAOYSA-N 1 2 555.053 7.244 1 0 KKAFLO CCc1[nH+]c(C(C)C)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000095603964 562780737 /nfs/dbraw/zinc/78/07/37/562780737.db2.gz XGNPTRSEOMIEGX-JYFHCDHNSA-N 1 2 512.620 6.065 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)CN(CC[NH+]3CCOCC3)CC2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282902 562794743 /nfs/dbraw/zinc/79/47/43/562794743.db2.gz AKZKQACYKVBMID-BQHRQADXSA-N 1 2 584.400 5.805 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@H+](CCN3CCOCC3)CC2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282902 562794744 /nfs/dbraw/zinc/79/47/44/562794744.db2.gz AKZKQACYKVBMID-BQHRQADXSA-N 1 2 584.400 5.805 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@@H+](CCN3CCOCC3)CC2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282902 562794745 /nfs/dbraw/zinc/79/47/45/562794745.db2.gz AKZKQACYKVBMID-BQHRQADXSA-N 1 2 584.400 5.805 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccccn2)cc2c[nH]nc21 ZINC000096284751 562795319 /nfs/dbraw/zinc/79/53/19/562795319.db2.gz RMLVXFQIOAFWBD-LJAQVGFWSA-N 1 2 589.704 5.017 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2cccnc2)cc2c[nH]nc21 ZINC000096284750 562795333 /nfs/dbraw/zinc/79/53/33/562795333.db2.gz NMJMMGJSYZAVQK-GDLZYMKVSA-N 1 2 589.704 5.017 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccccn2)cc2c[nH]nc21 ZINC000096284752 562795385 /nfs/dbraw/zinc/79/53/85/562795385.db2.gz RMLVXFQIOAFWBD-GDLZYMKVSA-N 1 2 589.704 5.017 1 0 KKAFLO Cc1c[nH+]c([C@H](Cc2cc3c[nH]nc3c(C)c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)n1Cc1cccc(F)c1 ZINC000096284757 562795395 /nfs/dbraw/zinc/79/53/95/562795395.db2.gz PLSBQWLBNQMVNQ-HKBQPEDESA-N 1 2 620.733 6.069 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)c1cccc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)c1 ZINC000096906415 562798772 /nfs/dbraw/zinc/79/87/72/562798772.db2.gz BVLMMOAMFUAZEC-UHFFFAOYSA-N 1 2 510.425 5.138 1 0 KKAFLO COc1ccc(CNc2nc(Nc3ccc([C@@]4(C)Nc5ccccc5C(=O)N4)cc3)nc(NCc3ccc(OC)cc3)[nH+]2)cc1 ZINC000096909700 562799710 /nfs/dbraw/zinc/79/97/10/562799710.db2.gz LNANOPWNLNORDH-UMSFTDKQSA-N 1 2 602.699 5.885 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCc4cccnc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913947 562800636 /nfs/dbraw/zinc/80/06/36/562800636.db2.gz YQVBQOURWPGYFP-LJAQVGFWSA-N 1 2 567.686 5.145 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCc4cccnc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913947 562800637 /nfs/dbraw/zinc/80/06/37/562800637.db2.gz YQVBQOURWPGYFP-LJAQVGFWSA-N 1 2 567.686 5.145 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@H](O)c3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@H](O)c1ccccc1 ZINC000096926969 562802431 /nfs/dbraw/zinc/80/24/31/562802431.db2.gz IJHUVZPNRYVWPH-QRYWEVSESA-N 1 2 616.762 6.045 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@H](O)c3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@H](O)c1ccccc1 ZINC000096926969 562802432 /nfs/dbraw/zinc/80/24/32/562802432.db2.gz IJHUVZPNRYVWPH-QRYWEVSESA-N 1 2 616.762 6.045 1 0 KKAFLO Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(C[NH+]6CCOCC6)o5)cc43)cc2Cl)c1 ZINC000096937287 562804162 /nfs/dbraw/zinc/80/41/62/562804162.db2.gz KYIOPHOSYULFRB-UHFFFAOYSA-N 1 2 545.014 6.837 1 0 KKAFLO COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3ccccc32)cc1F ZINC000096937484 562804257 /nfs/dbraw/zinc/80/42/57/562804257.db2.gz ZVJKFAZLWIPIPF-HKBQPEDESA-N 1 2 518.629 5.129 1 0 KKAFLO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000096941821 562805101 /nfs/dbraw/zinc/80/51/01/562805101.db2.gz SJOJMDUVMRWHQV-GDLZYMKVSA-N 1 2 508.662 5.526 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCc2ccccc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000100715866 562807256 /nfs/dbraw/zinc/80/72/56/562807256.db2.gz CXFPZCWCMDELAK-HFTWOUSFSA-N 1 2 542.680 5.709 1 0 KKAFLO Cc1c(Nc2[nH]c3c([nH+]2)c(Br)c(Br)c(Br)c3Br)cccc1-c1nncn1C ZINC000164747094 562849735 /nfs/dbraw/zinc/84/97/35/562849735.db2.gz GEIUTHQABKTCGB-UHFFFAOYSA-N 1 2 619.941 6.460 1 0 KKAFLO CC(C)(C)c1ccc(CCCCCCCCNC(=[NH+]c2ccc(Oc3ccccc3)cc2)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103215944 562817064 /nfs/dbraw/zinc/81/70/64/562817064.db2.gz RXSMFPPGJAUPKF-UHFFFAOYSA-N 1 2 598.784 8.409 1 0 KKAFLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 ZINC000103227789 562817937 /nfs/dbraw/zinc/81/79/37/562817937.db2.gz DUYMQZQSVQSGJR-LJAQVGFWSA-N 1 2 565.133 6.127 1 0 KKAFLO CCC(CC)C(=O)Nc1ccc(N2CC[NH+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)CC2)c(F)c1 ZINC000103227920 562817952 /nfs/dbraw/zinc/81/79/52/562817952.db2.gz SCLPDBSDKXQSNU-MUUNZHRXSA-N 1 2 527.644 6.162 1 0 KKAFLO COc1ccccc1C[N@H+](C)CCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000103251931 562820410 /nfs/dbraw/zinc/82/04/10/562820410.db2.gz IVDBOZXZGIOCCA-UHFFFAOYSA-N 1 2 503.595 5.951 1 0 KKAFLO COc1ccccc1C[N@@H+](C)CCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000103251931 562820411 /nfs/dbraw/zinc/82/04/11/562820411.db2.gz IVDBOZXZGIOCCA-UHFFFAOYSA-N 1 2 503.595 5.951 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccccn3)c3cccn3n2)c(F)c1 ZINC000103261559 562821431 /nfs/dbraw/zinc/82/14/31/562821431.db2.gz PIFLRHMVLIYVAB-UHFFFAOYSA-N 1 2 537.599 5.067 1 0 KKAFLO Cn1c[nH+]cc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263825 562821846 /nfs/dbraw/zinc/82/18/46/562821846.db2.gz TWXSHNQCPSUCSH-NYDCQLBNSA-N 1 2 576.141 5.797 1 0 KKAFLO CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@@H]1c1ccccc1-n1cc[nH+]c1 ZINC000103268270 562822655 /nfs/dbraw/zinc/82/26/55/562822655.db2.gz PHNSNDFSSDONGG-GRKNLSHJSA-N 1 2 600.789 5.680 1 0 KKAFLO [NH3+][C@@H]1CCCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114035781 562827056 /nfs/dbraw/zinc/82/70/56/562827056.db2.gz FWXBXIHVIWDHGF-GOSISDBHSA-N 1 2 549.462 5.968 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000114038267 562827210 /nfs/dbraw/zinc/82/72/10/562827210.db2.gz IRKOIFAPGAXTQZ-UHFFFAOYSA-N 1 2 505.981 5.493 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1cnc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000114038275 562827235 /nfs/dbraw/zinc/82/72/35/562827235.db2.gz IFXWBYJQKWQIIZ-UHFFFAOYSA-N 1 2 535.435 5.450 1 0 KKAFLO CCCc1nc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cn1-c1ccc(Cl)cc1 ZINC000115185209 562828809 /nfs/dbraw/zinc/82/88/09/562828809.db2.gz XEOCHFFUOJNUJC-UHFFFAOYSA-N 1 2 520.892 5.337 1 0 KKAFLO Cc1c(Cc2cccc(C(F)(F)F)c2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092206 562830129 /nfs/dbraw/zinc/83/01/29/562830129.db2.gz GHUVTTUJMWBHNV-UHFFFAOYSA-N 1 2 568.590 7.092 1 0 KKAFLO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(Cn3cc[nH+]c3)cc1)C(=O)C2 ZINC000118796596 562830642 /nfs/dbraw/zinc/83/06/42/562830642.db2.gz AZTLSCFOQHSCPJ-LJAQVGFWSA-N 1 2 502.014 6.059 1 0 KKAFLO COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000138460853 562831913 /nfs/dbraw/zinc/83/19/13/562831913.db2.gz WEXLZNCYDYYCTB-UHFFFAOYSA-N 1 2 575.735 5.338 1 0 KKAFLO O=C(c1cccnc1Oc1ccc(Nc2cccc[nH+]2)cc1)N1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC000139423956 562832491 /nfs/dbraw/zinc/83/24/91/562832491.db2.gz LTPOACJAKSJFPB-UHFFFAOYSA-N 1 2 506.484 5.935 1 0 KKAFLO Cc1[nH+]c2ccccc2n1CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140322651 562833015 /nfs/dbraw/zinc/83/30/15/562833015.db2.gz ZQROFVYWMAJWLK-HHHXNRCGSA-N 1 2 516.711 6.393 1 0 KKAFLO CCC(=O)Nc1ccc(N(C(=O)Cn2c(C)[nH+]c3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140325050 562833026 /nfs/dbraw/zinc/83/30/26/562833026.db2.gz BSSWUQMZIVUQCA-HHHXNRCGSA-N 1 2 531.682 5.444 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(N3CCc4cc(OC)c(OC)cc4C3)nc(NC(C)C)[nH+]2)cc1)c1cccc(C)c1 ZINC000141025408 562833420 /nfs/dbraw/zinc/83/34/20/562833420.db2.gz WGNGBKMCAMIONA-UHFFFAOYSA-N 1 2 595.748 5.859 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NC(C)C)[nH+]c(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000141025408 562833421 /nfs/dbraw/zinc/83/34/21/562833421.db2.gz WGNGBKMCAMIONA-UHFFFAOYSA-N 1 2 595.748 5.859 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NC(C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000141025408 562833422 /nfs/dbraw/zinc/83/34/22/562833422.db2.gz WGNGBKMCAMIONA-UHFFFAOYSA-N 1 2 595.748 5.859 1 0 KKAFLO Clc1ccc(Cl)c(C[NH+]2CCN(c3nc4ccc(Br)cc4nc3NC3CC3)CC2)c1 ZINC000144344096 562836156 /nfs/dbraw/zinc/83/61/56/562836156.db2.gz QJVYCNLWOWQEOC-UHFFFAOYSA-N 1 2 507.263 5.596 1 0 KKAFLO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821217 562839720 /nfs/dbraw/zinc/83/97/20/562839720.db2.gz DZEQBPTXICASFA-WMZOPIPTSA-N 1 2 517.605 5.411 1 0 KKAFLO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821217 562839721 /nfs/dbraw/zinc/83/97/21/562839721.db2.gz DZEQBPTXICASFA-WMZOPIPTSA-N 1 2 517.605 5.411 1 0 KKAFLO C[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821005 562839749 /nfs/dbraw/zinc/83/97/49/562839749.db2.gz DZEQBPTXICASFA-AEFFLSMTSA-N 1 2 517.605 5.411 1 0 KKAFLO C[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821005 562839750 /nfs/dbraw/zinc/83/97/50/562839750.db2.gz DZEQBPTXICASFA-AEFFLSMTSA-N 1 2 517.605 5.411 1 0 KKAFLO Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3C[C@H](C)[N@H+](CC(N)=O)C[C@H]3C)c2C1 ZINC000149140606 562842209 /nfs/dbraw/zinc/84/22/09/562842209.db2.gz RXERXSOXXLKIKJ-LOSJGSFVSA-N 1 2 540.756 5.139 1 0 KKAFLO Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3C[C@H](C)[N@@H+](CC(N)=O)C[C@H]3C)c2C1 ZINC000149140606 562842210 /nfs/dbraw/zinc/84/22/10/562842210.db2.gz RXERXSOXXLKIKJ-LOSJGSFVSA-N 1 2 540.756 5.139 1 0 KKAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5C[C@H](C)[N@H+](CC(N)=O)C[C@H]5C)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000149159143 562842338 /nfs/dbraw/zinc/84/23/38/562842338.db2.gz MNIJCUYTHRQPLD-BJKOFHAPSA-N 1 2 565.766 5.312 1 0 KKAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5C[C@H](C)[N@@H+](CC(N)=O)C[C@H]5C)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000149159143 562842339 /nfs/dbraw/zinc/84/23/39/562842339.db2.gz MNIJCUYTHRQPLD-BJKOFHAPSA-N 1 2 565.766 5.312 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)s1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363960 562843355 /nfs/dbraw/zinc/84/33/55/562843355.db2.gz APIPLLBUSGFYKP-VIHJOENHSA-N 1 2 857.421 6.194 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)s1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363960 562843356 /nfs/dbraw/zinc/84/33/56/562843356.db2.gz APIPLLBUSGFYKP-VIHJOENHSA-N 1 2 857.421 6.194 1 0 KKAFLO O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CCN(c4cccc[nH+]4)CC3)n2)o1 ZINC000150585259 562845770 /nfs/dbraw/zinc/84/57/70/562845770.db2.gz FKBMYQGGGKPKOB-UHFFFAOYSA-N 1 2 629.662 5.241 1 0 KKAFLO Cn1c2cc(N3CCC(C(C)(C)O)CC3)c(C(=O)NCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165383637 562850170 /nfs/dbraw/zinc/85/01/70/562850170.db2.gz ONOYKTYFIFNZQV-UHFFFAOYSA-N 1 2 671.592 6.565 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165416836 562850233 /nfs/dbraw/zinc/85/02/33/562850233.db2.gz AFAWFTGWBKUWFE-UHFFFAOYSA-N 1 2 728.018 9.110 1 0 KKAFLO Cc1csc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[NH+]4CCOCC4)c3)CC2)n1 ZINC000167969363 562851170 /nfs/dbraw/zinc/85/11/70/562851170.db2.gz HHMHLYOYUICOAC-WMPKNSHKSA-N 1 2 645.757 5.454 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NC4CCCCC4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000169339744 562860496 /nfs/dbraw/zinc/86/04/96/562860496.db2.gz TWOPZJKXVFEKDX-LJAQVGFWSA-N 1 2 561.777 5.594 1 0 KKAFLO O=C(OC[C@H](C1CCCCC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000169353023 562863344 /nfs/dbraw/zinc/86/33/44/562863344.db2.gz YKSWAAHSHPVWLU-KXQOOQHDSA-N 1 2 690.263 9.475 1 0 KKAFLO CC(C)[C@@H](COC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1)n1c2ccccc2nc1-c1ccccc1 ZINC000169353015 562863349 /nfs/dbraw/zinc/86/33/49/562863349.db2.gz LZRNGISDTHAYNF-PGUFJCEWSA-N 1 2 597.763 7.758 1 0 KKAFLO Cn1c2cc(N3CCC(F)CC3)c(C(=O)NCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700878 562867759 /nfs/dbraw/zinc/86/77/59/562867759.db2.gz UADSFBNSFPYNNF-UHFFFAOYSA-N 1 2 631.502 6.516 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)N[C@H](c3ccccn3)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700905 562867766 /nfs/dbraw/zinc/86/77/66/562867766.db2.gz FBYWIUUGNDECTE-AREMUKBSSA-N 1 2 712.551 7.560 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700910 562867811 /nfs/dbraw/zinc/86/78/11/562867811.db2.gz PBULGGCSYSERLL-UHFFFAOYSA-N 1 2 681.974 8.176 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)CO)c1Cl ZINC000169701043 562867873 /nfs/dbraw/zinc/86/78/73/562867873.db2.gz PTNQQNHZYWJRQD-UHFFFAOYSA-N 1 2 711.535 6.719 1 0 KKAFLO Cn1c2cc(N3CCC[C@H](C(F)(F)F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701017 562867892 /nfs/dbraw/zinc/86/78/92/562867892.db2.gz LNAHAOCNKJUKFF-IBGZPJMESA-N 1 2 759.579 9.216 1 0 KKAFLO COc1cc(NC(=O)NCC(F)(F)F)cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000169704744 562869103 /nfs/dbraw/zinc/86/91/03/562869103.db2.gz WZCXHBXCIDFPEP-UHFFFAOYSA-N 1 2 510.398 5.170 1 0 KKAFLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710464 562870666 /nfs/dbraw/zinc/87/06/66/562870666.db2.gz NMHMFDRUMIMISV-XMMPIXPASA-N 1 2 528.634 5.163 1 0 KKAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000200007193 562873264 /nfs/dbraw/zinc/87/32/64/562873264.db2.gz QIRZCMIKRKUWGR-HSZRJFAPSA-N 1 2 513.623 5.016 1 0 KKAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000200007193 562873265 /nfs/dbraw/zinc/87/32/65/562873265.db2.gz QIRZCMIKRKUWGR-HSZRJFAPSA-N 1 2 513.623 5.016 1 0 KKAFLO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(F)c(N3CCC(c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC)C(C)C)[nH+]4)CC3)c(F)c2)c[nH]1)C(C)C ZINC000202700947 562873806 /nfs/dbraw/zinc/87/38/06/562873806.db2.gz QXMYDDOTYOEQQZ-GASGPIRDSA-N 1 2 781.906 5.550 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000205038285 562874836 /nfs/dbraw/zinc/87/48/36/562874836.db2.gz JANKEFFANZEYJE-GOSISDBHSA-N 1 2 515.614 5.382 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000205038285 562874837 /nfs/dbraw/zinc/87/48/37/562874837.db2.gz JANKEFFANZEYJE-GOSISDBHSA-N 1 2 515.614 5.382 1 0 KKAFLO C[NH+]1CCC(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)CC1 ZINC000225055030 562880688 /nfs/dbraw/zinc/88/06/88/562880688.db2.gz BLDOQFJZGIQRKW-UHFFFAOYSA-N 1 2 526.584 5.926 1 0 KKAFLO 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](NC(=O)OC)C(C)C)[nH+]4)CC3)cc2)c[nH]1)C(C)C ZINC000299828729 562884571 /nfs/dbraw/zinc/88/45/71/562884571.db2.gz SVKZUZJZHUJNGZ-FBKOGACDSA-N 1 2 744.938 6.329 1 0 KKAFLO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](Cc5ccc(F)cc5)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299831368 562885514 /nfs/dbraw/zinc/88/55/14/562885514.db2.gz OEQBTCBROKYGDY-UHFFFAOYSA-N 1 2 634.756 6.162 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nc3sccc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299833947 562886360 /nfs/dbraw/zinc/88/63/60/562886360.db2.gz ATYOWQCIQMMFMA-UHFFFAOYSA-N 1 2 632.712 7.309 1 0 KKAFLO FC(F)(F)c1cc(-n2cc(C[NH+](Cc3ccccc3)Cc3ccccc3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299840803 562888648 /nfs/dbraw/zinc/88/86/48/562888648.db2.gz WGRYHOHJNCYDAY-UHFFFAOYSA-N 1 2 541.499 7.056 1 0 KKAFLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CC[NH2+]CC6)sc5c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299843485 562889033 /nfs/dbraw/zinc/88/90/33/562889033.db2.gz ZARCYRCSIPWCIF-PPOSZQANSA-N 1 2 822.978 5.068 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)[C@H](C)CC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000299849077 562890447 /nfs/dbraw/zinc/89/04/47/562890447.db2.gz PLNDZQXQMZEUDA-VXNXHJTFSA-N 1 2 543.814 7.679 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(=O)n(-c5ccccc5)n(C)c4-c4ccccc4)nc3)c2cc1OC ZINC000299867093 562894824 /nfs/dbraw/zinc/89/48/24/562894824.db2.gz PVNWAPAWLNSQHB-UHFFFAOYSA-N 1 2 573.609 5.848 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)nncc4Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)cc2)CC1 ZINC000473087435 562897172 /nfs/dbraw/zinc/89/71/72/562897172.db2.gz FKMSDOQFQGAZRO-UHFFFAOYSA-N 1 2 618.134 6.348 1 0 KKAFLO O=S(=O)(c1ccc(-c2ccc3cc[nH+]c(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)cc1)N1CCOCC1 ZINC000473090138 562897463 /nfs/dbraw/zinc/89/74/63/562897463.db2.gz MXOZJTVWSWIWHX-UHFFFAOYSA-N 1 2 586.113 6.899 1 0 KKAFLO COc1cc(-c2cn([C@H]3CCc4c5ccccc5ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000473096823 562897896 /nfs/dbraw/zinc/89/78/96/562897896.db2.gz AMACJRIXBHCKJL-SANMLTNESA-N 1 2 546.553 5.684 1 0 KKAFLO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)C[NH+]5CCSCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000473114598 562898967 /nfs/dbraw/zinc/89/89/67/562898967.db2.gz NXLHFFVIHPAPLL-RORUDZPBSA-N 1 2 533.819 6.195 1 0 KKAFLO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCN(C)CC2)CC1 ZINC000473179713 562903443 /nfs/dbraw/zinc/90/34/43/562903443.db2.gz DZCVKLULWMGNET-XYWHTSSQSA-N 1 2 541.523 5.757 1 0 KKAFLO CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000473194435 562903629 /nfs/dbraw/zinc/90/36/29/562903629.db2.gz FZVUREXLVKVQEX-INIZCTEOSA-N 1 2 537.451 5.390 1 0 KKAFLO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc32)CC1 ZINC000473213151 562903877 /nfs/dbraw/zinc/90/38/77/562903877.db2.gz BOCSXPRXEKNDAO-RZDIXWSQSA-N 1 2 513.469 5.856 1 0 KKAFLO Cc1cc(-c2c(Cl)cccc2Cl)cc2c1nc(Nc1ccc(OCC[NH+]3CCCC3)cc1)n[n+]2[O-] ZINC000473214430 562903976 /nfs/dbraw/zinc/90/39/76/562903976.db2.gz UVVHCPTXQOXZQE-UHFFFAOYSA-N 1 2 511.433 5.978 1 0 KKAFLO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(-c5ccc6[nH+]ccn6c5)c4)o3)nc2s1 ZINC000653678788 562906263 /nfs/dbraw/zinc/90/62/63/562906263.db2.gz YHASTZKIWUZWDO-UHFFFAOYSA-N 1 2 523.574 6.115 1 0 KKAFLO Cc1nc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CC[NH+](C)CC4)cc3OC3CC3)ncc2Cl)s1 ZINC000653729300 562909372 /nfs/dbraw/zinc/90/93/72/562909372.db2.gz FVYFUBBESBXRRY-UHFFFAOYSA-N 1 2 591.203 6.223 1 0 KKAFLO CCCCCc1c(S(=O)(=O)c2ccccc2)nnn1[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000653735572 562909638 /nfs/dbraw/zinc/90/96/38/562909638.db2.gz QODMFFZFJDAQGM-QHCPKHFHSA-N 1 2 518.470 5.637 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=S)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653748856 562910554 /nfs/dbraw/zinc/91/05/54/562910554.db2.gz YOKNOJUOHOOMSK-XMMPIXPASA-N 1 2 585.781 7.261 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C(C)C)[NH+]=C3N=CNN3[C@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)nc1 ZINC000653757877 562911120 /nfs/dbraw/zinc/91/11/20/562911120.db2.gz SWRUOXTZSYWKDD-NDEPHWFRSA-N 1 2 516.609 5.051 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C(C)C)[NH+]=C3N=CNN32)cc1 ZINC000653758666 562911143 /nfs/dbraw/zinc/91/11/43/562911143.db2.gz PHOMDVXTKVXMDO-NDEPHWFRSA-N 1 2 595.505 5.813 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=[NH+]1 ZINC000653760030 562911185 /nfs/dbraw/zinc/91/11/85/562911185.db2.gz GEVKIAUMVKQPCK-MHZLTWQESA-N 1 2 581.478 5.505 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1OCc1ccc(Cl)cc1)Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)[O-] ZINC000653762730 562911428 /nfs/dbraw/zinc/91/14/28/562911428.db2.gz CURAJBQGFZVWHK-LJAQVGFWSA-N 1 2 579.524 6.956 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cn1 ZINC000653794393 562912919 /nfs/dbraw/zinc/91/29/19/562912919.db2.gz GDLLFJURWZKHDA-UHFFFAOYSA-N 1 2 582.558 5.713 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cn1 ZINC000653794416 562912935 /nfs/dbraw/zinc/91/29/35/562912935.db2.gz MNUGCXDEKKKZRD-UHFFFAOYSA-N 1 2 564.568 5.574 1 0 KKAFLO CCCCCC(CCCCC)CC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631553 565165433 /nfs/dbraw/zinc/16/54/33/565165433.db2.gz VOZHUHSTYDCKRC-VQIIKMDRSA-N 1 2 642.861 7.500 1 0 biogenic,in-vitro KKAFLO CCCCCC(CCCCC)CC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631553 565165439 /nfs/dbraw/zinc/16/54/39/565165439.db2.gz VOZHUHSTYDCKRC-VQIIKMDRSA-N 1 2 642.861 7.500 1 0 biogenic,in-vitro KKAFLO O=C(C=C(O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1C[C@H]1CCc2cccc(O)c2CC1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000150348583 565202098 /nfs/dbraw/zinc/20/20/98/565202098.db2.gz JBWYLFXVBFHYAZ-KYWMCVRISA-N 1 2 659.827 7.602 1 0 biogenic,in-vitro KKAFLO COc1c(O)c(CCc2cccc(-c3cc([C@@]4(C)CCCC45CCCC5)[nH]c3N3CC[NH2+]CC3)c2)c2oc(-c3ccc(O)cc3)cc(O)c-2c1=O ZINC000150350040 565202545 /nfs/dbraw/zinc/20/25/45/565202545.db2.gz OTMVPUQEDLQYJT-VQJSHJPSSA-N 1 2 688.845 7.563 1 0 biogenic,in-vitro KKAFLO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c(CCc2cccc(-c3cc([C@@]4(C)CCCC45CCCC5)[nH]c3N3CC[NH2+]CC3)c2)c1=O ZINC000150350040 565202549 /nfs/dbraw/zinc/20/25/49/565202549.db2.gz OTMVPUQEDLQYJT-VQJSHJPSSA-N 1 2 688.845 7.563 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3Cc3cc[nH+]c(N)c3)C(=O)O/C4=C\CCC3CCCCC3)[C@@H]21 ZINC000085571219 291919926 /nfs/dbraw/zinc/91/99/26/291919926.db2.gz TWMCQMYHYQDJLM-QIOCTVCTSA-N 1 2 554.731 7.278 1 0 biogenic,in-vitro KKAFLO CCC[C@@H]1[C@@]2(OC(=O)c3c2cccc3CCC[NH3+])[C@@]23CCC4=C(C=C[C@H]5[C@H]4C=CC[C@@H]5C)[C@@]12C(=O)O/C3=C\CCC1CCCCC1 ZINC000085531927 291938619 /nfs/dbraw/zinc/93/86/19/291938619.db2.gz ILZKAOCMTJOCJQ-ZMABNMPRSA-N 1 2 621.862 8.636 1 0 biogenic,in-vitro KKAFLO CCC[C@@H]1[C@@]2(OC(=O)c3c2cccc3CCC[NH3+])[C@@]23CCC4=C(C=C[C@H]5[C@H]4C=CC[C@@H]5C)[C@@]12C(=O)O/C3=C\CCC1CCCC1 ZINC000085531943 291938621 /nfs/dbraw/zinc/93/86/21/291938621.db2.gz RNVDZDRIQLIERD-ZLADBVDVSA-N 1 2 607.835 8.246 1 0 biogenic,in-vitro KKAFLO CCCCc1[nH+]c2ccccc2n1Cc1cc(I)c(O)c(I)c1 ZINC000003915356 561684683 /nfs/dbraw/zinc/68/46/83/561684683.db2.gz VQRBWOJFVGDULM-UHFFFAOYSA-N 1 2 532.163 5.342 1 0 KKAFLO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000003922809 561686064 /nfs/dbraw/zinc/68/60/64/561686064.db2.gz FLCHWTIQFVHCMK-IOWSJCHKSA-N 1 2 582.745 6.970 1 0 KKAFLO CC(C)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000003935745 561688459 /nfs/dbraw/zinc/68/84/59/561688459.db2.gz MYBBTGORNPKHDT-BHVANESWSA-N 1 2 673.814 5.949 1 0 KKAFLO CC(C)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000003935745 561688461 /nfs/dbraw/zinc/68/84/61/561688461.db2.gz MYBBTGORNPKHDT-BHVANESWSA-N 1 2 673.814 5.949 1 0 KKAFLO CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1 ZINC000003965946 561691533 /nfs/dbraw/zinc/69/15/33/561691533.db2.gz JVJJYUVCAROHSN-LJQANCHMSA-N 1 2 515.557 5.405 1 0 KKAFLO COCC[N@H+](C)Cc1c(C(C)(C)C)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000013518096 561716761 /nfs/dbraw/zinc/71/67/61/561716761.db2.gz GTXVJVSCEDSWIF-UHFFFAOYSA-N 1 2 520.649 5.043 1 0 KKAFLO COCC[N@@H+](C)Cc1c(C(C)(C)C)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000013518096 561716762 /nfs/dbraw/zinc/71/67/62/561716762.db2.gz GTXVJVSCEDSWIF-UHFFFAOYSA-N 1 2 520.649 5.043 1 0 KKAFLO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 ZINC000013612725 561722052 /nfs/dbraw/zinc/72/20/52/561722052.db2.gz IVDLVHMOXUAYGO-UHFFFAOYSA-N 1 2 517.029 6.028 1 0 KKAFLO COc1cc(OC)c([C@H](CC[NH+]2CCOCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013813539 561731863 /nfs/dbraw/zinc/73/18/63/561731863.db2.gz RGMGCPAFKUJFMB-JOCHJYFZSA-N 1 2 529.589 5.060 3 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943514 561741851 /nfs/dbraw/zinc/74/18/51/561741851.db2.gz ZNEZCXJJIUHKKH-KEFFAAFJSA-N 1 2 626.754 6.421 1 0 KKAFLO CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943514 561741852 /nfs/dbraw/zinc/74/18/52/561741852.db2.gz ZNEZCXJJIUHKKH-KEFFAAFJSA-N 1 2 626.754 6.421 1 0 KKAFLO Cc1nc2cnccc2n1CCC[N@@H+](C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 ZINC000013776674 561728646 /nfs/dbraw/zinc/72/86/46/561728646.db2.gz DXPVOWOBYAJNOR-UHFFFAOYSA-N 1 2 526.616 5.235 1 0 KKAFLO Cc1nc2cnccc2n1CCC[N@H+](C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 ZINC000013776674 561728647 /nfs/dbraw/zinc/72/86/47/561728647.db2.gz DXPVOWOBYAJNOR-UHFFFAOYSA-N 1 2 526.616 5.235 1 0 KKAFLO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccc(OCC[NH+]3CCCCC3)cc2[nH]c1-c1ccccc1 ZINC000016052186 561753862 /nfs/dbraw/zinc/75/38/62/561753862.db2.gz FACGWONUFWMXPN-XMMPIXPASA-N 1 2 525.693 6.085 1 0 in-vitro KKAFLO CC(=O)Nc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000014956551 561747738 /nfs/dbraw/zinc/74/77/38/561747738.db2.gz MACRJABCDWSWIJ-UHFFFAOYSA-N 1 2 570.694 5.636 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@H+](C)CC(C)(C)O)c1Cl ZINC000014963070 561748845 /nfs/dbraw/zinc/74/88/45/561748845.db2.gz FDWVHQKXWFKPKP-UHFFFAOYSA-N 1 2 571.914 5.819 1 0 KKAFLO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[N@@H+](C)CC(C)(C)O)c1Cl ZINC000014963070 561748847 /nfs/dbraw/zinc/74/88/47/561748847.db2.gz FDWVHQKXWFKPKP-UHFFFAOYSA-N 1 2 571.914 5.819 1 0 KKAFLO O=C(C1=C[C@@H](c2csc3ccccc32)C[C@@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017544737 561755499 /nfs/dbraw/zinc/75/54/99/561755499.db2.gz CYKOLZWTLFGEPE-NYFMKLKXSA-N 1 2 598.721 5.397 3 0 KKAFLO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3[nH]cc[nH+]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025982489 561764041 /nfs/dbraw/zinc/76/40/41/561764041.db2.gz RHVJCBFPRBRDSX-HHHXNRCGSA-N 1 2 528.722 5.920 1 0 KKAFLO O=C1N(Cc2cccc(-c3ncc[nH]3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000026165759 561769230 /nfs/dbraw/zinc/76/92/30/561769230.db2.gz LTSTXUQEHQNBBZ-NWJWHWDBSA-N 1 2 638.772 5.849 1 0 KKAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4sc5ccccc5c4Cl)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026172743 561770212 /nfs/dbraw/zinc/77/02/12/561770212.db2.gz FCVPFNOGEAVASL-UHFFFAOYSA-N 1 2 688.210 5.051 1 0 KKAFLO Brc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026569920 561797957 /nfs/dbraw/zinc/79/79/57/561797957.db2.gz CWDQEZGQGKIJBU-SANMLTNESA-N 1 2 525.454 5.490 1 0 KKAFLO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@@H]5CCCC[C@@H]5C4)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576977 561800837 /nfs/dbraw/zinc/80/08/37/561800837.db2.gz GVCFXLOSGDFPGG-UVQPCEMDSA-N 1 2 604.883 8.489 1 0 KKAFLO Cn1cc(Cc2cn(CC(=O)N(CCC[NH+](C)C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026576995 561800853 /nfs/dbraw/zinc/80/08/53/561800853.db2.gz XTEOOGWMTJUIJA-UHFFFAOYSA-N 1 2 706.810 6.665 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 ZINC000026653466 561808769 /nfs/dbraw/zinc/80/87/69/561808769.db2.gz NFFXHMGFNMFNEE-RUZDIDTESA-N 1 2 535.669 5.889 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 ZINC000026653466 561808772 /nfs/dbraw/zinc/80/87/72/561808772.db2.gz NFFXHMGFNMFNEE-RUZDIDTESA-N 1 2 535.669 5.889 1 0 KKAFLO CC(C)N1CCN(CC[NH+]2CCN([C@H]3C[C@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000026662783 561810632 /nfs/dbraw/zinc/81/06/32/561810632.db2.gz MNGBFDADKNTDGN-RSXGOPAZSA-N 1 2 501.502 5.334 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 ZINC000026664119 561810886 /nfs/dbraw/zinc/81/08/86/561810886.db2.gz IBRRMWAYJVCIAO-RUZDIDTESA-N 1 2 572.105 6.976 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 ZINC000026664119 561810889 /nfs/dbraw/zinc/81/08/89/561810889.db2.gz IBRRMWAYJVCIAO-RUZDIDTESA-N 1 2 572.105 6.976 1 0 KKAFLO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026668699 561811796 /nfs/dbraw/zinc/81/17/96/561811796.db2.gz BZFNKUVKRNSKNV-AOYPEHQESA-N 1 2 523.077 5.294 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@@H](c2ccccc2Cl)C1C(=O)OC1CCCCC1 ZINC000026837695 561824819 /nfs/dbraw/zinc/82/48/19/561824819.db2.gz ABARVCHGLGYBSE-DLPZXFRKSA-N 1 2 611.142 8.034 1 0 KKAFLO CCOC(=O)C1=C(c2ccc(-n3c[nH+]c(C)c3)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026846621 561826613 /nfs/dbraw/zinc/82/66/13/561826613.db2.gz OMVJLSXLSWVWJT-HHHXNRCGSA-N 1 2 554.050 5.803 1 0 KKAFLO C[C@@H](Nc1cc(-c2[nH]c(SCc3ccc([S@@](C)=O)cc3)nc2-c2ccc(F)cc2)cc[nH+]1)c1ccccc1 ZINC000026961529 561829692 /nfs/dbraw/zinc/82/96/92/561829692.db2.gz SZLYSQJIZDNCQP-UNFLUOAUSA-N 1 2 542.705 7.481 1 0 KKAFLO C[S@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3cc[nH+]c(NCc4ccccc4)c3)[nH]2)cc1 ZINC000026970904 561830279 /nfs/dbraw/zinc/83/02/79/561830279.db2.gz KVXOCOUVUJHXOI-DIPNUNPCSA-N 1 2 528.678 6.920 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000027078237 561834625 /nfs/dbraw/zinc/83/46/25/561834625.db2.gz ROPVYNUGSZRGBD-MZNRBSJDSA-N 1 2 694.902 5.531 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000027078237 561834627 /nfs/dbraw/zinc/83/46/27/561834627.db2.gz ROPVYNUGSZRGBD-MZNRBSJDSA-N 1 2 694.902 5.531 1 0 KKAFLO O=C(CCC[NH+]1CCOCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027190731 561843516 /nfs/dbraw/zinc/84/35/16/561843516.db2.gz IXCRAIPNQOAOGF-VWLOTQADSA-N 1 2 583.573 5.547 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2sccc2C)n1Cc1ccc(C(=O)OC)cc1 ZINC000027208875 561846618 /nfs/dbraw/zinc/84/66/18/561846618.db2.gz BMJBAOCXGKCHEL-UQQQWYQISA-N 1 2 548.709 6.036 1 0 KKAFLO CCN(CC)C(=O)COC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027558871 561870098 /nfs/dbraw/zinc/87/00/98/561870098.db2.gz OJBIOWNYEISPBN-UMSFTDKQSA-N 1 2 671.731 6.081 1 0 KKAFLO CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1 ZINC000027621162 561872531 /nfs/dbraw/zinc/87/25/31/561872531.db2.gz SMOFSYOMVNYIGV-UJWBSGRQSA-N 1 2 699.918 5.392 1 0 KKAFLO CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1 ZINC000027621162 561872533 /nfs/dbraw/zinc/87/25/33/561872533.db2.gz SMOFSYOMVNYIGV-UJWBSGRQSA-N 1 2 699.918 5.392 1 0 KKAFLO O=C(NCCc1c[nH+]c[nH]1)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000027657879 561878268 /nfs/dbraw/zinc/87/82/68/561878268.db2.gz GOYDJMAPJITTBZ-HSZRJFAPSA-N 1 2 535.431 5.041 1 0 KKAFLO O=C(NCCc1c[nH]c[nH+]1)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000027657879 561878270 /nfs/dbraw/zinc/87/82/70/561878270.db2.gz GOYDJMAPJITTBZ-HSZRJFAPSA-N 1 2 535.431 5.041 1 0 KKAFLO O=C(Nc1ccc(Oc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000027866753 561887692 /nfs/dbraw/zinc/88/76/92/561887692.db2.gz XNARKTIFJQTZEF-UHFFFAOYSA-N 1 2 562.976 5.857 1 0 KKAFLO CCN(Cc1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027867179 561887832 /nfs/dbraw/zinc/88/78/32/561887832.db2.gz FDPICUUOOJCCPW-DEOSSOPVSA-N 1 2 541.545 6.319 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CC[NH+]([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027996113 561893944 /nfs/dbraw/zinc/89/39/44/561893944.db2.gz WOZFIAXXAOZQSD-RBTNQOKQSA-N 1 2 539.120 5.104 1 0 KKAFLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C[NH2+]c1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000028005032 561895338 /nfs/dbraw/zinc/89/53/38/561895338.db2.gz MZTXDUQYUUACQN-SMCANUKXSA-N 1 2 558.723 5.004 1 0 KKAFLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1 ZINC000028017553 561897737 /nfs/dbraw/zinc/89/77/37/561897737.db2.gz BUSOHISTSQHOLT-DEOSSOPVSA-N 1 2 582.623 5.126 1 0 KKAFLO O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3c[nH+]cn3Cc3ccccc3)cn1)C2 ZINC000028103888 561902020 /nfs/dbraw/zinc/90/20/20/561902020.db2.gz YFJZTISMEVURGQ-XIFFEERXSA-N 1 2 537.623 5.879 1 0 KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028257302 561911669 /nfs/dbraw/zinc/91/16/69/561911669.db2.gz SHGYNXXABXGXNI-LWOVQYQGSA-N 1 2 703.928 6.289 1 0 investigational KKAFLO CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028257302 561911671 /nfs/dbraw/zinc/91/16/71/561911671.db2.gz SHGYNXXABXGXNI-LWOVQYQGSA-N 1 2 703.928 6.289 1 0 investigational KKAFLO Cn1c[nH+]cc1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccccc1 ZINC000028712114 561952707 /nfs/dbraw/zinc/95/27/07/561952707.db2.gz RNFHGBIVRVUGCX-SANMLTNESA-N 1 2 517.984 5.228 1 0 KKAFLO CN1CC[NH+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000028760183 561957838 /nfs/dbraw/zinc/95/78/38/561957838.db2.gz HNQQZKOBGZCHJY-UHFFFAOYSA-N 1 2 586.580 6.617 1 0 KKAFLO CCc1cccc(CC)c1NC(=O)NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822142 561966709 /nfs/dbraw/zinc/96/67/09/561966709.db2.gz INAMAZLKOGOTJO-UHFFFAOYSA-N 1 2 615.012 6.955 1 0 KKAFLO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000028825272 561970679 /nfs/dbraw/zinc/97/06/79/561970679.db2.gz JAOGBPCBVBXRDD-UHFFFAOYSA-N 1 2 587.124 6.304 1 0 KKAFLO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000028825272 561970680 /nfs/dbraw/zinc/97/06/80/561970680.db2.gz JAOGBPCBVBXRDD-UHFFFAOYSA-N 1 2 587.124 6.304 1 0 KKAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000028864783 561973241 /nfs/dbraw/zinc/97/32/41/561973241.db2.gz IQNCKPBIQWXAEZ-BQYQJAHWSA-N 1 2 630.749 5.254 1 0 KKAFLO Cc1ccccc1-c1c(C2CCCCC2)c2ccc(-c3nc(=O)o[nH]3)cc2n1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000028949691 561980763 /nfs/dbraw/zinc/98/07/63/561980763.db2.gz SFRNSCYPCXNPED-UHFFFAOYSA-N 1 2 541.696 5.560 1 0 KKAFLO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949704 561980768 /nfs/dbraw/zinc/98/07/68/561980768.db2.gz HNRSWIBLSLTBRF-QFIPXVFZSA-N 1 2 541.696 5.500 1 0 KKAFLO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949704 561980770 /nfs/dbraw/zinc/98/07/70/561980770.db2.gz HNRSWIBLSLTBRF-QFIPXVFZSA-N 1 2 541.696 5.500 1 0 KKAFLO O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cc(N3CCC3)[nH+]cn2)cc1 ZINC000028952854 561982241 /nfs/dbraw/zinc/98/22/41/561982241.db2.gz BIXPZICKNFMWJX-UHFFFAOYSA-N 1 2 514.508 5.964 1 0 KKAFLO O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2cc(N3CCC3)[nH+]cn2)cc1 ZINC000028953216 561982293 /nfs/dbraw/zinc/98/22/93/561982293.db2.gz MNSMNOIUJSIXIG-UHFFFAOYSA-N 1 2 515.496 5.359 1 0 KKAFLO C[C@H](COC(=O)N(C)CCCn1cc[nH+]c1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976133 561986739 /nfs/dbraw/zinc/98/67/39/561986739.db2.gz POIOTSUEZZWFIU-QGZVFWFLSA-N 1 2 559.903 5.586 1 0 KKAFLO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH+](Cc2ccccc2F)Cc2ccccc2F)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029124986 561997233 /nfs/dbraw/zinc/99/72/33/561997233.db2.gz GLLVLVCSIDXGIA-BKXWLFMQSA-N 1 2 667.717 5.669 1 0 KKAFLO Cc1nc2cc3c(c(Br)c2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127509 562000001 /nfs/dbraw/zinc/00/00/01/562000001.db2.gz UHZJBSJVGFOSSA-UHFFFAOYSA-N 1 2 577.552 6.134 1 0 KKAFLO Cc1nc2cc3c(c(Br)c2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127509 562000002 /nfs/dbraw/zinc/00/00/02/562000002.db2.gz UHZJBSJVGFOSSA-UHFFFAOYSA-N 1 2 577.552 6.134 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc(NCC[NH+]2CCOCC2)nc1Oc1ccccc1 ZINC000029127961 562000498 /nfs/dbraw/zinc/00/04/98/562000498.db2.gz WGALYVGOLFTUBQ-UHFFFAOYSA-N 1 2 620.632 5.845 1 0 KKAFLO COc1cc(O)c2c(c1C)C(=O)CCCCCC(=S)N[C@H](c1nc(C[NH2+]C(C)C)no1)CSC2 ZINC000029320931 562013028 /nfs/dbraw/zinc/01/30/28/562013028.db2.gz GITNGDKINBTBQM-KRWDZBQOSA-N 1 2 506.694 5.040 1 0 KKAFLO COC(=O)C(C)(C)c1nc2n(c1C[N@H+](C)CCc1ccccn1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029467993 562024876 /nfs/dbraw/zinc/02/48/76/562024876.db2.gz XYCILBLGOTVVJW-UHFFFAOYSA-N 1 2 611.718 5.188 1 0 KKAFLO COC(=O)C(C)(C)c1nc2n(c1C[N@@H+](C)CCc1ccccn1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029467993 562024878 /nfs/dbraw/zinc/02/48/78/562024878.db2.gz XYCILBLGOTVVJW-UHFFFAOYSA-N 1 2 611.718 5.188 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc4c(n3c2=O)C[N@H+](CCc2ccccn2)CC4(C)C)c1 ZINC000029468720 562025068 /nfs/dbraw/zinc/02/50/68/562025068.db2.gz HSDVOACOQJPXPH-UHFFFAOYSA-N 1 2 551.666 5.398 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc4c(n3c2=O)C[N@@H+](CCc2ccccn2)CC4(C)C)c1 ZINC000029468720 562025070 /nfs/dbraw/zinc/02/50/70/562025070.db2.gz HSDVOACOQJPXPH-UHFFFAOYSA-N 1 2 551.666 5.398 1 0 KKAFLO COC(=O)C(C)(C)c1nc2n(c1C[N@@H+]1CCc3ccccc3C1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029475037 562026289 /nfs/dbraw/zinc/02/62/89/562026289.db2.gz NUPNMXVTTCCDNN-UHFFFAOYSA-N 1 2 608.714 5.676 1 0 KKAFLO COC(=O)C(C)(C)c1nc2n(c1C[N@H+]1CCc3ccccc3C1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029475037 562026290 /nfs/dbraw/zinc/02/62/90/562026290.db2.gz NUPNMXVTTCCDNN-UHFFFAOYSA-N 1 2 608.714 5.676 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029561044 562033239 /nfs/dbraw/zinc/03/32/39/562033239.db2.gz VDGCNOYTIPMBBA-BKHJTQGXSA-N 1 2 614.808 6.883 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029561044 562033241 /nfs/dbraw/zinc/03/32/41/562033241.db2.gz VDGCNOYTIPMBBA-BKHJTQGXSA-N 1 2 614.808 6.883 1 0 KKAFLO Cc1oc2c(c1C[N@@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560010 562032836 /nfs/dbraw/zinc/03/28/36/562032836.db2.gz BOLMOAXJMNTWTF-BHBYDHKZSA-N 1 2 598.765 7.183 1 0 KKAFLO Cc1oc2c(c1C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560010 562032837 /nfs/dbraw/zinc/03/28/37/562032837.db2.gz BOLMOAXJMNTWTF-BHBYDHKZSA-N 1 2 598.765 7.183 1 0 KKAFLO COC(=O)[C@H](CCCCNC(N)=O)[NH+](C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000029571075 562035716 /nfs/dbraw/zinc/03/57/16/562035716.db2.gz REGDNJPJOFTQAQ-PVTOMQRISA-N 1 2 619.762 7.680 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000033825156 562037755 /nfs/dbraw/zinc/03/77/55/562037755.db2.gz LLBLXGVWHQTALB-UHFFFAOYSA-N 1 2 521.448 6.264 1 0 KKAFLO CS(=O)(=O)CC[N@H+](Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)Cc1ccccc1 ZINC000034800076 562040789 /nfs/dbraw/zinc/04/07/89/562040789.db2.gz NVTIQCRSEMKCEN-UHFFFAOYSA-N 1 2 671.194 8.052 1 0 KKAFLO CS(=O)(=O)CC[N@@H+](Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)Cc1ccccc1 ZINC000034800076 562040790 /nfs/dbraw/zinc/04/07/90/562040790.db2.gz NVTIQCRSEMKCEN-UHFFFAOYSA-N 1 2 671.194 8.052 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccc(C(F)(F)F)cc5)s4)n[nH]c2-3)CC1 ZINC000036338841 562057324 /nfs/dbraw/zinc/05/73/24/562057324.db2.gz ISGHDAOLUCVKHI-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccc(C(F)(F)F)cc5)s4)n[nH]c2-3)CC1 ZINC000036338841 562057326 /nfs/dbraw/zinc/05/73/26/562057326.db2.gz ISGHDAOLUCVKHI-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000036338841 562057328 /nfs/dbraw/zinc/05/73/28/562057328.db2.gz ISGHDAOLUCVKHI-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1 ZINC000036338871 562057598 /nfs/dbraw/zinc/05/75/98/562057598.db2.gz DNPMSTITUCICNO-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1 ZINC000036338871 562057599 /nfs/dbraw/zinc/05/75/99/562057599.db2.gz DNPMSTITUCICNO-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1ccccc1NC(=O)NCc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1 ZINC000036338871 562057600 /nfs/dbraw/zinc/05/76/00/562057600.db2.gz DNPMSTITUCICNO-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4NC(=O)NCC[NH+]4CCOCC4)ccc3C)ccc2n1 ZINC000036758609 562061410 /nfs/dbraw/zinc/06/14/10/562061410.db2.gz QXQVIBRVLYDXEY-UHFFFAOYSA-N 1 2 607.637 5.372 1 0 KKAFLO O=C1[C@@H](Cc2ccccc2)Nc2[nH+]cnc(N3CCc4ccccc4C3)c2N1Cc1ccc(Br)cc1 ZINC000038151142 562066842 /nfs/dbraw/zinc/06/68/42/562066842.db2.gz FYCHVHRGUPSACR-RUZDIDTESA-N 1 2 540.465 5.372 3 0 KKAFLO Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12 ZINC000040938447 562085520 /nfs/dbraw/zinc/08/55/20/562085520.db2.gz GXUAESATMIDZDL-UHFFFAOYSA-N 1 2 511.622 5.754 1 0 KKAFLO COc1cc(CC[C@H](C[C@H](CC2CCC(Cc3ccccc3)CC2)OC(C)=O)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629403 560068366 /nfs/dbraw/zinc/06/83/66/560068366.db2.gz QTTZLRCLMSJSEP-OJDDDSAVSA-N 1 2 588.745 6.670 1 0 biogenic,in-vitro KKAFLO CC(=O)O[C@H](CCc1cc(OC2CCCCC2)c(O)cc1-c1cc[nH+]c(N)c1)C[C@H](CC1CCCCC1)OC(C)=O ZINC000085629434 560068450 /nfs/dbraw/zinc/06/84/50/560068450.db2.gz YTPMAHKMBOVSAL-WDYNHAJCSA-N 1 2 566.739 6.904 1 0 biogenic,in-vitro KKAFLO COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@H+](C)CC4)cc1OC ZINC000015273855 560230125 /nfs/dbraw/zinc/23/01/25/560230125.db2.gz HLUNBGMOGGEWFX-FQEVSTJZSA-N 1 2 505.567 5.087 1 0 biogenic,in-vitro KKAFLO COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@@H+](C)CC4)cc1OC ZINC000015273855 560230126 /nfs/dbraw/zinc/23/01/26/560230126.db2.gz HLUNBGMOGGEWFX-FQEVSTJZSA-N 1 2 505.567 5.087 1 0 biogenic,in-vitro KKAFLO c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(-c2onc3ccccc32)c(-c2ccccc2)c1 ZINC000044351586 562654730 /nfs/dbraw/zinc/65/47/30/562654730.db2.gz UOLMJCLXDJVMBM-UHFFFAOYSA-N 1 2 532.647 8.686 1 0 KKAFLO Cc1[nH+]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)c2ccccc2)c1Cl ZINC000045201586 562659063 /nfs/dbraw/zinc/65/90/63/562659063.db2.gz ONTCVEZHKYJKTK-UHFFFAOYSA-N 1 2 513.899 7.929 1 0 KKAFLO Cc1ccc(-c2ccc(NC(=O)N3CCc4cc(Br)c(N5CC[NH+](C)CC5)cc43)cc2)cn1 ZINC000045322512 562661138 /nfs/dbraw/zinc/66/11/38/562661138.db2.gz GYIGBOUORPLIES-UHFFFAOYSA-N 1 2 506.448 5.166 1 0 KKAFLO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045337894 562661443 /nfs/dbraw/zinc/66/14/43/562661443.db2.gz SSULWRYWQAAWNT-GTYOFVGBSA-N 1 2 534.100 5.315 1 0 KKAFLO Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338579 562661496 /nfs/dbraw/zinc/66/14/96/562661496.db2.gz XEVGBPQWUBNTPB-DLLPINGYSA-N 1 2 518.101 5.615 1 0 KKAFLO Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338581 562661502 /nfs/dbraw/zinc/66/15/02/562661502.db2.gz XEVGBPQWUBNTPB-WBBHLRKXSA-N 1 2 518.101 5.615 1 0 KKAFLO CCn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049072869 562664282 /nfs/dbraw/zinc/66/42/82/562664282.db2.gz YLGPNUOSRABSDL-MUUNZHRXSA-N 1 2 504.417 6.013 1 0 KKAFLO C[C@@H]1CN(c2ccc(NC(=O)c3ccsc3)cc2C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000049604985 562665152 /nfs/dbraw/zinc/66/51/52/562665152.db2.gz NMNPPJSWQFRRAM-PSWAGMNNSA-N 1 2 574.791 5.870 1 0 KKAFLO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCCCn3cc[nH+]c3)nc21 ZINC000049604992 562665179 /nfs/dbraw/zinc/66/51/79/562665179.db2.gz DFNVDRVRYYUQSF-UHFFFAOYSA-N 1 2 571.514 5.670 1 0 KKAFLO [NH3+]C1CCN(c2nc(NCCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]2)CC1 ZINC000049605680 562666214 /nfs/dbraw/zinc/66/62/14/562666214.db2.gz IMOYYRLMWIXZEC-UHFFFAOYSA-N 1 2 577.655 5.847 1 0 KKAFLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]cc(C(=O)NCc1cccc3ccccc31)c2Nc1ccccc1C(C)(C)C ZINC000049605756 562666300 /nfs/dbraw/zinc/66/63/00/562666300.db2.gz LQDRNERTNKCZGW-UHFFFAOYSA-N 1 2 554.694 8.631 1 0 KKAFLO COc1ccc(CNC(=O)c2c[nH+]c3cc(-c4c(C)noc4C)ccc3c2Nc2ccccc2C(C)(C)C)cc1 ZINC000049626001 562666936 /nfs/dbraw/zinc/66/69/36/562666936.db2.gz NXPGOAHPUZALKS-UHFFFAOYSA-N 1 2 534.660 7.486 1 0 KKAFLO O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCn1cc[nH+]c1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049626415 562667142 /nfs/dbraw/zinc/66/71/42/562667142.db2.gz VHDHPUGFDJRBOQ-UHFFFAOYSA-N 1 2 688.722 8.183 1 0 KKAFLO CN(C)c1ccc(CCNc2nc(Nc3ccc(CCNc4nc(Nc5cccc(N)c5)nc(NCCO)[nH+]4)cc3)nc(Nc3cccc(N)c3)n2)cc1 ZINC000049694520 562669473 /nfs/dbraw/zinc/66/94/73/562669473.db2.gz CLDOEPSCUKQIJC-UHFFFAOYSA-N 1 2 727.882 5.231 1 0 KKAFLO C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(=O)(=O)c1ccccc1 ZINC000049694723 562669697 /nfs/dbraw/zinc/66/96/97/562669697.db2.gz BTZSHTKXTWWUKJ-DLLPINGYSA-N 1 2 632.750 5.376 1 0 KKAFLO Cn1c2ccc(Nc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)cc2[nH+]c1Nc1cc(C(C)(C)C)on1 ZINC000049745180 562673681 /nfs/dbraw/zinc/67/36/81/562673681.db2.gz CJVQJZDBBPPAKN-UHFFFAOYSA-N 1 2 546.657 5.424 1 0 KKAFLO O=C(C[NH+]1CCN([C@H](c2ccccc2)c2cccc(Cl)c2Cl)CC1)N(c1ccccc1)c1ccccc1 ZINC000049762061 562676293 /nfs/dbraw/zinc/67/62/93/562676293.db2.gz NIMFDABOPDBIHU-WJOKGBTCSA-N 1 2 530.499 7.065 1 0 KKAFLO CC(=O)O[C@@H](c1c[nH+]cn1C)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000049767089 562677343 /nfs/dbraw/zinc/67/73/43/562677343.db2.gz DGBXLFYRMTXZME-WUFINQPMSA-N 1 2 564.086 5.269 1 0 KKAFLO Cn1c[nH+]cc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000049767424 562677526 /nfs/dbraw/zinc/67/75/26/562677526.db2.gz BHCPOFXOOLQQTC-URLMMPGGSA-N 1 2 562.114 5.623 1 0 KKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049793223 562684651 /nfs/dbraw/zinc/68/46/51/562684651.db2.gz JPEHKWDFZMBFDF-UHFFFAOYSA-N 1 2 542.955 7.677 1 0 KKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049793223 562684652 /nfs/dbraw/zinc/68/46/52/562684652.db2.gz JPEHKWDFZMBFDF-UHFFFAOYSA-N 1 2 542.955 7.677 1 0 KKAFLO COc1cc(OC2CC[NH+](Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000049816750 562686811 /nfs/dbraw/zinc/68/68/11/562686811.db2.gz QQBBADSFCOGOJH-UHFFFAOYSA-N 1 2 658.649 5.291 1 0 KKAFLO COc1c(N)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12 ZINC000049878315 562690502 /nfs/dbraw/zinc/69/05/02/562690502.db2.gz PZXHLFLLNPJDJD-UHFFFAOYSA-N 1 2 539.680 6.266 1 0 KKAFLO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000049878272 562690544 /nfs/dbraw/zinc/69/05/44/562690544.db2.gz DUYHOUPHQKVIPQ-INIZCTEOSA-N 1 2 613.432 5.545 1 0 KKAFLO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000049878272 562690545 /nfs/dbraw/zinc/69/05/45/562690545.db2.gz DUYHOUPHQKVIPQ-INIZCTEOSA-N 1 2 613.432 5.545 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)cc2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938431 562695298 /nfs/dbraw/zinc/69/52/98/562695298.db2.gz NFJDSOMCPXKCAN-YLENAPDTSA-N 1 2 722.930 9.005 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)cc2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938433 562695302 /nfs/dbraw/zinc/69/53/02/562695302.db2.gz NFJDSOMCPXKCAN-GLAVYMFISA-N 1 2 722.930 9.005 1 0 KKAFLO CNc1nc(Nc2[nH+]ccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053298540 562697511 /nfs/dbraw/zinc/69/75/11/562697511.db2.gz XKBMQOFELFTTAP-UHFFFAOYSA-N 1 2 509.414 6.109 1 0 KKAFLO CCOc1cc(OC)ccc1C1=N[C@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CC[NH+](CCO)CC1 ZINC000053684056 562697701 /nfs/dbraw/zinc/69/77/01/562697701.db2.gz PVRYEWOXWGDQHA-FQLXRVMXSA-N 1 2 686.445 5.894 1 0 in-vivo KKAFLO Cn1c(-c2ccc(NC(=O)CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000058600007 562700859 /nfs/dbraw/zinc/70/08/59/562700859.db2.gz UDIZYPZUILCSGZ-UHFFFAOYSA-N 1 2 576.144 6.831 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)c(C)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059186022 562701845 /nfs/dbraw/zinc/70/18/45/562701845.db2.gz SMVYUVVBZSDULV-PMERELPUSA-N 1 2 610.784 5.445 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)c(C)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059186022 562701846 /nfs/dbraw/zinc/70/18/46/562701846.db2.gz SMVYUVVBZSDULV-PMERELPUSA-N 1 2 610.784 5.445 1 0 KKAFLO CC(C)(O)c1ccc(Nc2nc(N3CCCCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064560370 562708539 /nfs/dbraw/zinc/70/85/39/562708539.db2.gz RMKJRBWZKAQVNJ-UHFFFAOYSA-N 1 2 526.607 5.457 1 0 KKAFLO CCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000066104395 562711700 /nfs/dbraw/zinc/71/17/00/562711700.db2.gz LRTMOXVLWOYFPQ-UHFFFAOYSA-N 1 2 511.033 7.516 1 0 KKAFLO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]Cc2ccco2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066104682 562711775 /nfs/dbraw/zinc/71/17/75/562711775.db2.gz WXGBJDVFRNTMBB-GPLAWQGUSA-N 1 2 534.538 6.002 1 0 KKAFLO Fc1ccc(-c2c[nH]c(-c3ccc4[nH+]c(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)n2)cc1 ZINC000066251641 562714540 /nfs/dbraw/zinc/71/45/40/562714540.db2.gz GKJCGEVSNOWRBL-UHFFFAOYSA-N 1 2 524.397 7.704 1 0 KKAFLO Clc1ccc(-c2c[nH]c(-c3ccc4[nH+]c(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)n2)cc1 ZINC000066258877 562715126 /nfs/dbraw/zinc/71/51/26/562715126.db2.gz SRYPPDLIQLGKGR-UHFFFAOYSA-N 1 2 540.852 8.218 1 0 KKAFLO Cc1ccc(-c2nnc(-c3ccc4[nH+]c(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066259815 562715375 /nfs/dbraw/zinc/71/53/75/562715375.db2.gz JFXHWGUZCGXCLC-UHFFFAOYSA-N 1 2 522.406 7.533 1 0 KKAFLO CC(C)CN(CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)[C@H](CC[NH+]1CCOCC1)NC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000068149839 562715817 /nfs/dbraw/zinc/71/58/17/562715817.db2.gz AUEWZJYNVLYDFR-PPTMTGTBSA-N 1 2 727.998 5.368 1 0 KKAFLO CCOc1ccc(Cc2[nH+]c3cc(N(C)S(=O)(=O)c4cccs4)ccc3n2CC2CCCCC2)nc1 ZINC000068246962 562716170 /nfs/dbraw/zinc/71/61/70/562716170.db2.gz YIEVWZCZMDYKQH-UHFFFAOYSA-N 1 2 524.712 5.888 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](c1ccc2ccccc2c1)N1CC[NH+](CCO)CC1 ZINC000071296942 562717639 /nfs/dbraw/zinc/71/76/39/562717639.db2.gz OUEKUXGPWBWGSA-LJAQVGFWSA-N 1 2 528.052 5.014 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](c1cccc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000071318921 562718689 /nfs/dbraw/zinc/71/86/89/562718689.db2.gz CTKQJAZXBYUIDN-GDLZYMKVSA-N 1 2 528.052 5.014 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@H+](Cc3ccccc3)CC2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000071341555 562720005 /nfs/dbraw/zinc/72/00/05/562720005.db2.gz ATRNRVCPPBVDNA-SQBJQYTESA-N 1 2 561.365 7.673 1 0 KKAFLO S=C1N=C2C(=Cc3ccc(Cl)cc3Cl)C[N@@H+](Cc3ccccc3)CC2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000071341555 562720006 /nfs/dbraw/zinc/72/00/06/562720006.db2.gz ATRNRVCPPBVDNA-SQBJQYTESA-N 1 2 561.365 7.673 1 0 KKAFLO CC(C)(C)OC(=O)NCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109347 562721599 /nfs/dbraw/zinc/72/15/99/562721599.db2.gz MBCJQMPDKPWVGY-MHZLTWQESA-N 1 2 549.425 5.495 1 0 KKAFLO CCCCCC(=O)N1CC[NH+]([C@@H](CCSC)C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)CC1 ZINC000072126786 562725395 /nfs/dbraw/zinc/72/53/95/562725395.db2.gz LRIUMVMGAWTMCO-DITALETJSA-N 1 2 695.954 7.726 1 0 KKAFLO Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000072131699 562726819 /nfs/dbraw/zinc/72/68/19/562726819.db2.gz VPZHXJYJELXAFH-UHFFFAOYSA-N 1 2 642.629 5.460 1 0 KKAFLO Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072134011 562727099 /nfs/dbraw/zinc/72/70/99/562727099.db2.gz HJLIQEBRJUVETG-ZQWQDMLBSA-N 1 2 720.021 6.031 3 0 KKAFLO Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072134011 562727100 /nfs/dbraw/zinc/72/71/00/562727100.db2.gz HJLIQEBRJUVETG-ZQWQDMLBSA-N 1 2 720.021 6.031 3 0 KKAFLO O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1cc2ccccc2o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072136263 562727816 /nfs/dbraw/zinc/72/78/16/562727816.db2.gz RZMGJLJAKLOOSK-MDSLYVRMSA-N 1 2 509.606 5.215 3 0 KKAFLO O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccnc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072141101 562729306 /nfs/dbraw/zinc/72/93/06/562729306.db2.gz PGNPUZWKFFJEBB-YVIREVMBSA-N 1 2 520.633 5.017 3 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3ccc(-n4ccc5c4ccnc5NC(=O)c4ccccc4)cc3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000072176470 562731633 /nfs/dbraw/zinc/73/16/33/562731633.db2.gz JIBBSYDTGADDPM-UHFFFAOYSA-N 1 2 580.570 7.043 1 0 KKAFLO COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCC[NH+]1CCOCC1 ZINC000072180586 562732516 /nfs/dbraw/zinc/73/25/16/562732516.db2.gz UQEPJKKNAAEZLH-UHFFFAOYSA-N 1 2 562.627 5.071 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(C[C@H](C[NH+]6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072284453 562733015 /nfs/dbraw/zinc/73/30/15/562733015.db2.gz BTGSCJGGIRKDSQ-QGQRUJLJSA-N 1 2 612.852 6.004 1 0 KKAFLO O=C(NCC[NH+]1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000073168063 562734704 /nfs/dbraw/zinc/73/47/04/562734704.db2.gz RXLINTREBYMMMC-UHFFFAOYSA-N 1 2 569.898 5.461 1 0 KKAFLO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000073196050 562735053 /nfs/dbraw/zinc/73/50/53/562735053.db2.gz ATINPWNCHVQKSE-VWLOTQADSA-N 1 2 512.572 5.083 1 0 KKAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000073197280 562735317 /nfs/dbraw/zinc/73/53/17/562735317.db2.gz HNXZZOPRIIVFED-GDLZYMKVSA-N 1 2 630.107 5.454 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3ccccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000073197383 562735337 /nfs/dbraw/zinc/73/53/37/562735337.db2.gz ZCBFAEWCDOKJMS-RUZDIDTESA-N 1 2 603.934 5.304 1 0 KKAFLO Cc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1C ZINC000073388614 562738590 /nfs/dbraw/zinc/73/85/90/562738590.db2.gz TWTGJMFPSNMKRT-SSEXGKCCSA-N 1 2 546.111 5.464 1 0 KKAFLO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140913 562739593 /nfs/dbraw/zinc/73/95/93/562739593.db2.gz HABRMHILHAJALX-GDLZYMKVSA-N 1 2 690.024 5.765 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1ccccc1Cl)C1CC1 ZINC000082152254 562739985 /nfs/dbraw/zinc/73/99/85/562739985.db2.gz KYIOHOXQJZCWHN-AREMUKBSSA-N 1 2 572.027 5.265 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(C[NH2+]CC(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082155864 562740619 /nfs/dbraw/zinc/74/06/19/562740619.db2.gz BWNQFSJNUPMMLI-HHHXNRCGSA-N 1 2 697.010 5.659 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNC(=O)C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082156844 562740817 /nfs/dbraw/zinc/74/08/17/562740817.db2.gz ZDMZJWGCMXXROS-WJOKGBTCSA-N 1 2 700.063 5.935 1 0 KKAFLO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccc(Cl)cc4Cl)[C@@H]2N3C)cc1 ZINC000084432504 562743057 /nfs/dbraw/zinc/74/30/57/562743057.db2.gz UNOVXELSMGDOGX-JDXGNMNLSA-N 1 2 538.519 7.710 1 0 KKAFLO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](CCc4ccc(Cl)cc4Cl)[C@@H]2N3C)cc1 ZINC000084432504 562743058 /nfs/dbraw/zinc/74/30/58/562743058.db2.gz UNOVXELSMGDOGX-JDXGNMNLSA-N 1 2 538.519 7.710 1 0 KKAFLO O=C(/C=C/c1c(Cl)cccc1Cl)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000084462253 562743082 /nfs/dbraw/zinc/74/30/82/562743082.db2.gz YSJQOZFUGFOQTD-OUKQBFOZSA-N 1 2 531.430 6.235 1 0 KKAFLO COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc4ccccc4c3)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084596716 562743837 /nfs/dbraw/zinc/74/38/37/562743837.db2.gz NDDOHYYGWHJJMO-UHFFFAOYSA-N 1 2 520.515 5.197 1 0 KKAFLO Cc1cn2c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)cnc2c(Nc2cc(C[NH+]3CCCCC3)ns2)n1 ZINC000084634057 562745806 /nfs/dbraw/zinc/74/58/06/562745806.db2.gz GTOODCHETFUUMC-UHFFFAOYSA-N 1 2 552.668 5.186 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)s3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084652992 562746755 /nfs/dbraw/zinc/74/67/55/562746755.db2.gz UPWFQYHRAVOPDZ-UHFFFAOYSA-N 1 2 550.566 6.405 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084708792 562750204 /nfs/dbraw/zinc/75/02/04/562750204.db2.gz LRUAJEDWTRTTKM-UHFFFAOYSA-N 1 2 555.686 6.165 1 0 KKAFLO CC(C)Cc1ccc([C@H](C)c2[nH+]c3cc(OCc4ccccn4)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713284 562750895 /nfs/dbraw/zinc/75/08/95/562750895.db2.gz VTROTSTZAVOQTL-QHCPKHFHSA-N 1 2 510.081 8.062 1 0 KKAFLO CCCC[C@H]1Oc2ccc(OC[C@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2N(C)C1=O ZINC000084868342 562753093 /nfs/dbraw/zinc/75/30/93/562753093.db2.gz LUSCKCSHZMDXQF-FESMNKHTSA-N 1 2 546.451 5.451 1 0 KKAFLO O=C(CNC(=O)c1coc(-c2ccccc2)n1)NCC(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000095539306 562754952 /nfs/dbraw/zinc/75/49/52/562754952.db2.gz ACHXFUAHEFJJRT-LHEWISCISA-N 1 2 793.831 5.869 1 0 KKAFLO Cc1cc(-n2cc[nH+]c2)c2cccc(OCc3c(Cl)ccc(-n4cccc4CNC(=O)/C=C/c4ccc(C(=O)NCc5ccccn5)cc4)c3Cl)c2n1 ZINC000095544047 562757595 /nfs/dbraw/zinc/75/75/95/562757595.db2.gz VLDZXXVZHYSCHY-SFQUDFHCSA-N 1 2 742.667 8.060 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000095544141 562757652 /nfs/dbraw/zinc/75/76/52/562757652.db2.gz YZFTVGIGQKRBNP-POURPWNDSA-N 1 2 756.093 8.413 1 0 KKAFLO Cc1nc2ccccc2n1C1CC2CCC(C1)[NH+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000095548039 562759081 /nfs/dbraw/zinc/75/90/81/562759081.db2.gz XNOYYQVNZAYECN-BCFRNYDHSA-N 1 2 750.356 7.929 1 0 KKAFLO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000095548039 562759083 /nfs/dbraw/zinc/75/90/83/562759083.db2.gz XNOYYQVNZAYECN-BCFRNYDHSA-N 1 2 750.356 7.929 1 0 KKAFLO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000095548039 562759084 /nfs/dbraw/zinc/75/90/84/562759084.db2.gz XNOYYQVNZAYECN-BCFRNYDHSA-N 1 2 750.356 7.929 1 0 KKAFLO CCN1CC[NH+](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 562760150 /nfs/dbraw/zinc/76/01/50/562760150.db2.gz VXILBVIYBFDZND-FJQKOURKSA-N 1 2 760.752 6.417 1 0 KKAFLO CC[NH+]1CCN(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 562760151 /nfs/dbraw/zinc/76/01/51/562760151.db2.gz VXILBVIYBFDZND-FJQKOURKSA-N 1 2 760.752 6.417 1 0 KKAFLO CCCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)nc(NCc2csc(-c3cccs3)n2)[nH+]1 ZINC000095552505 562760666 /nfs/dbraw/zinc/76/06/66/562760666.db2.gz FOBXXPHCATYEQV-HXUWFJFHSA-N 1 2 619.242 5.481 1 0 KKAFLO CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)[nH+]1 ZINC000095552505 562760667 /nfs/dbraw/zinc/76/06/67/562760667.db2.gz FOBXXPHCATYEQV-HXUWFJFHSA-N 1 2 619.242 5.481 1 0 KKAFLO CCCCNc1nc(NCc2csc(-c3cccs3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000095552505 562760668 /nfs/dbraw/zinc/76/06/68/562760668.db2.gz FOBXXPHCATYEQV-HXUWFJFHSA-N 1 2 619.242 5.481 1 0 KKAFLO CCCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)nc(NCc2ccc(CCCC)cc2)[nH+]1 ZINC000095552821 562760784 /nfs/dbraw/zinc/76/07/84/562760784.db2.gz JZCLNDMGTJCDOY-MUUNZHRXSA-N 1 2 593.842 5.938 1 0 KKAFLO CCCCNc1nc(NCc2ccc(CCCC)cc2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)[nH+]1 ZINC000095552821 562760785 /nfs/dbraw/zinc/76/07/85/562760785.db2.gz JZCLNDMGTJCDOY-MUUNZHRXSA-N 1 2 593.842 5.938 1 0 KKAFLO CCCCNc1nc(NCc2ccc(CCCC)cc2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1 ZINC000095552821 562760786 /nfs/dbraw/zinc/76/07/86/562760786.db2.gz JZCLNDMGTJCDOY-MUUNZHRXSA-N 1 2 593.842 5.938 1 0 KKAFLO CC(=O)N1CC[NH+](CCC(=O)Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)CC1 ZINC000095559679 562762802 /nfs/dbraw/zinc/76/28/02/562762802.db2.gz CQHYLTRQJFHIRE-UHFFFAOYSA-N 1 2 596.635 5.122 1 0 KKAFLO O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1cc2ccccc2o1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095567232 562765643 /nfs/dbraw/zinc/76/56/43/562765643.db2.gz FCNAJDGANREKAH-SANMLTNESA-N 1 2 538.526 5.120 3 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095567986 562766220 /nfs/dbraw/zinc/76/62/20/562766220.db2.gz MYYMGOYXUZYBJC-PYAKLNENSA-N 1 2 662.809 5.166 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095567986 562766221 /nfs/dbraw/zinc/76/62/21/562766221.db2.gz MYYMGOYXUZYBJC-PYAKLNENSA-N 1 2 662.809 5.166 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570728 562768414 /nfs/dbraw/zinc/76/84/14/562768414.db2.gz AIDUNWUCHWLKPO-NNLWJYRWSA-N 1 2 650.776 6.007 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570728 562768415 /nfs/dbraw/zinc/76/84/15/562768415.db2.gz AIDUNWUCHWLKPO-NNLWJYRWSA-N 1 2 650.776 6.007 1 0 KKAFLO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@H+](CC(F)F)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095572796 562769506 /nfs/dbraw/zinc/76/95/06/562769506.db2.gz QBBSTQFTKMFHON-NTKHECAWSA-N 1 2 524.999 5.493 1 0 KKAFLO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@@H+](CC(F)F)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095572796 562769507 /nfs/dbraw/zinc/76/95/07/562769507.db2.gz QBBSTQFTKMFHON-NTKHECAWSA-N 1 2 524.999 5.493 1 0 KKAFLO COc1cc2[nH+]c(NCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000095590534 562775312 /nfs/dbraw/zinc/77/53/12/562775312.db2.gz FZDXKZGIJAWHDX-VCSGRIEYSA-N 1 2 597.738 5.384 1 0 KKAFLO O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCC[NH+]4CCOCC4)cc2C3=O)c(F)cc1F)c1ccsc1 ZINC000095593499 562776234 /nfs/dbraw/zinc/77/62/34/562776234.db2.gz QVHLCAGXXZQPBF-UHFFFAOYSA-N 1 2 589.664 6.063 1 0 KKAFLO COc1ccc2c3ccnc(C)c3n(CCCCCCCCn3c4cc(OC)ccc4c4cc[nH+]c(C)c43)c2c1 ZINC000095594906 562776571 /nfs/dbraw/zinc/77/65/71/562776571.db2.gz QKOIJMQRKPIERB-UHFFFAOYSA-N 1 2 534.704 8.367 1 0 KKAFLO COc1ccc(CNc2cc(C)nc(Nc3ccc(OCCCCCOc4ccc(Nc5nc(NCc6ccc(OC)cc6)cc(C)[nH+]5)cc4)cc3)n2)cc1 ZINC000095595381 562776688 /nfs/dbraw/zinc/77/66/88/562776688.db2.gz KFDCLWIWWKLKML-UHFFFAOYSA-N 1 2 740.909 9.240 1 0 KKAFLO CCCO[C@@H]1CON=C2/C(=C/c3ccc(-n4c[nH+]c(C)c4)c(OC)c3)CCCN2[C@H]1c1cc(F)cc(F)c1 ZINC000095595782 562776823 /nfs/dbraw/zinc/77/68/23/562776823.db2.gz FKGYIWCMEGSIMX-QKNCEOJESA-N 1 2 522.596 5.827 1 0 KKAFLO C[N@@H+]1C[C@H](Cc2ccccc2)O[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095603974 562780774 /nfs/dbraw/zinc/78/07/74/562780774.db2.gz XHMBUTLIIFQBNB-VXNXHJTFSA-N 1 2 501.262 6.567 1 0 KKAFLO C[N@H+]1C[C@H](Cc2ccccc2)O[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095603974 562780775 /nfs/dbraw/zinc/78/07/75/562780775.db2.gz XHMBUTLIIFQBNB-VXNXHJTFSA-N 1 2 501.262 6.567 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095751758 562788812 /nfs/dbraw/zinc/78/88/12/562788812.db2.gz URUYPBZFUNKRKA-FBIDWWCOSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095751758 562788813 /nfs/dbraw/zinc/78/88/13/562788813.db2.gz URUYPBZFUNKRKA-FBIDWWCOSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095772841 562789010 /nfs/dbraw/zinc/78/90/10/562789010.db2.gz URUYPBZFUNKRKA-ZYMMPZCLSA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095772841 562789011 /nfs/dbraw/zinc/78/90/11/562789011.db2.gz URUYPBZFUNKRKA-ZYMMPZCLSA-N 1 2 673.898 5.485 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC1CCCCC1)OCCCC[C@@H](C)O2 ZINC000095781899 562789043 /nfs/dbraw/zinc/78/90/43/562789043.db2.gz WIHMVTBVTHNAAG-MTCUJEMASA-N 1 2 662.894 5.400 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC1CCCCC1)OCCCC[C@@H](C)O2 ZINC000095781899 562789044 /nfs/dbraw/zinc/78/90/44/562789044.db2.gz WIHMVTBVTHNAAG-MTCUJEMASA-N 1 2 662.894 5.400 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095847012 562789533 /nfs/dbraw/zinc/78/95/33/562789533.db2.gz NLNOREAGNASAOL-PXFJVXAFSA-N 1 2 643.872 5.476 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095847012 562789534 /nfs/dbraw/zinc/78/95/34/562789534.db2.gz NLNOREAGNASAOL-PXFJVXAFSA-N 1 2 643.872 5.476 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccnc1Nc1cccc(SC(F)(F)F)c1 ZINC000095896510 562790272 /nfs/dbraw/zinc/79/02/72/562790272.db2.gz UMHCAQGCRPSSAJ-UHFFFAOYSA-N 1 2 537.007 6.070 1 0 KKAFLO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]([N@@H+]4CCC(F)(F)C4)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175696 562791867 /nfs/dbraw/zinc/79/18/67/562791867.db2.gz YDDWJIZGOLMUPS-AYRHNUGRSA-N 1 2 604.092 6.425 1 0 KKAFLO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]([N@H+]4CCC(F)(F)C4)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175696 562791868 /nfs/dbraw/zinc/79/18/68/562791868.db2.gz YDDWJIZGOLMUPS-AYRHNUGRSA-N 1 2 604.092 6.425 1 0 KKAFLO CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CC[NH+](CCO)CC1 ZINC000096270382 562793185 /nfs/dbraw/zinc/79/31/85/562793185.db2.gz QEHAAELBCKBEBS-MPQUPPDSSA-N 1 2 651.679 7.313 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2cc(F)cc(F)c2)cc2c[nH]nc21 ZINC000096284721 562795313 /nfs/dbraw/zinc/79/53/13/562795313.db2.gz IKZZTJAJWRXLNM-PMERELPUSA-N 1 2 624.696 5.900 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2CCc2ccccc2)cc2c[nH]nc21 ZINC000096284730 562795324 /nfs/dbraw/zinc/79/53/24/562795324.db2.gz DYOQSWPYFLNPFD-WJOKGBTCSA-N 1 2 602.743 5.816 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2cc(F)cc(F)c2)cc2c[nH]nc21 ZINC000096284722 562795343 /nfs/dbraw/zinc/79/53/43/562795343.db2.gz IKZZTJAJWRXLNM-SSEXGKCCSA-N 1 2 624.696 5.900 1 0 KKAFLO CCN(CC)C(=O)c1ccc(Cn2cc[nH+]c2C2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000096318653 562796571 /nfs/dbraw/zinc/79/65/71/562796571.db2.gz SQWPVZNZZYYIEF-UHFFFAOYSA-N 1 2 520.677 5.636 1 0 KKAFLO CCCCCCNC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913887 562800454 /nfs/dbraw/zinc/80/04/54/562800454.db2.gz MZKVICPGEUHIAR-PMERELPUSA-N 1 2 632.802 5.881 1 0 KKAFLO CCCCCCNC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 ZINC000096913887 562800455 /nfs/dbraw/zinc/80/04/55/562800455.db2.gz MZKVICPGEUHIAR-PMERELPUSA-N 1 2 632.802 5.881 1 0 KKAFLO CCCCCCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913961 562800674 /nfs/dbraw/zinc/80/06/74/562800674.db2.gz CHTKJFCFFKVHFF-LJAQVGFWSA-N 1 2 560.735 6.130 1 0 KKAFLO CCCCCCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913961 562800675 /nfs/dbraw/zinc/80/06/75/562800675.db2.gz CHTKJFCFFKVHFF-LJAQVGFWSA-N 1 2 560.735 6.130 1 0 KKAFLO COc1cc([C@H]2CC(c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)=NN2C=O)cc(OC)c1OC ZINC000096921905 562801561 /nfs/dbraw/zinc/80/15/61/562801561.db2.gz ASTWHZQZVAVCHA-RUZDIDTESA-N 1 2 516.985 5.965 1 0 KKAFLO C[C@@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926979 562802452 /nfs/dbraw/zinc/80/24/52/562802452.db2.gz OQPCBRUAQKPVNO-JHHGMXAASA-N 1 2 644.816 6.393 1 0 KKAFLO C[C@@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926979 562802453 /nfs/dbraw/zinc/80/24/53/562802453.db2.gz OQPCBRUAQKPVNO-JHHGMXAASA-N 1 2 644.816 6.393 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)Cc1ccccc1 ZINC000096926978 562802546 /nfs/dbraw/zinc/80/25/46/562802546.db2.gz YZSSHKBZRWBJSW-KWAXCOPOSA-N 1 2 644.816 5.785 1 0 KKAFLO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)Cc1ccccc1 ZINC000096926978 562802547 /nfs/dbraw/zinc/80/25/47/562802547.db2.gz YZSSHKBZRWBJSW-KWAXCOPOSA-N 1 2 644.816 5.785 1 0 KKAFLO CCOC(=O)N1CC[NH+](Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1 ZINC000096937290 562804173 /nfs/dbraw/zinc/80/41/73/562804173.db2.gz FPFVOXIARGRQQR-UHFFFAOYSA-N 1 2 616.093 7.279 1 0 KKAFLO CN(C)c1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3c2ccc(F)c3F)cc1 ZINC000096937495 562804233 /nfs/dbraw/zinc/80/42/33/562804233.db2.gz NWKSMCGZSJDMOF-JGCGQSQUSA-N 1 2 549.662 5.326 1 0 KKAFLO c1[nH+]cn(Cc2ccc(-c3ccccn3)cc2)c1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940303 562804929 /nfs/dbraw/zinc/80/49/29/562804929.db2.gz MYLFUMOCSXPZTQ-UHFFFAOYSA-N 1 2 549.703 8.549 1 0 KKAFLO C[C@@]1(O)C[C@H](c2[nH+]c(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3F)c3c(N)nccn32)C1 ZINC000101688457 562811799 /nfs/dbraw/zinc/81/17/99/562811799.db2.gz ALHCKZGNDIODOK-LPACLJBNSA-N 1 2 531.591 6.754 1 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3ccc(C4=Nc5cnn(Cc6ccccc6)c5NC(=O)C4)cc3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000102898513 562813457 /nfs/dbraw/zinc/81/34/57/562813457.db2.gz IKFJCJMFNIZWGN-UHFFFAOYSA-N 1 2 583.574 6.160 1 0 KKAFLO COc1cc(-c2nnc3n([C@@H](CCS(C)(=O)=O)c4ccc(F)cc4)cc(Cl)cc2-3)ccc1-n1c[nH+]c(C)c1 ZINC000102945178 562813676 /nfs/dbraw/zinc/81/36/76/562813676.db2.gz SASWPIJNMSYVDI-QHCPKHFHSA-N 1 2 554.047 5.369 1 0 KKAFLO Cc1ccc(OCc2ccccc2-c2nc(CN3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103186210 562815425 /nfs/dbraw/zinc/81/54/25/562815425.db2.gz XGZNTWHKFBUAJJ-UUWRZZSWSA-N 1 2 580.197 8.258 1 0 KKAFLO Clc1ccc(OCc2ccccc2-c2nc(CN3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103198509 562815970 /nfs/dbraw/zinc/81/59/70/562815970.db2.gz KBFPKPXBSAHWEP-MGBGTMOVSA-N 1 2 600.615 8.603 1 0 KKAFLO Clc1ccc(OCc2ccccc2-c2nc(CN3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103198506 562815975 /nfs/dbraw/zinc/81/59/75/562815975.db2.gz KBFPKPXBSAHWEP-XIFFEERXSA-N 1 2 600.615 8.603 1 0 KKAFLO CC[N@H+](CCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O)Cc1ccccc1OC ZINC000103251936 562820390 /nfs/dbraw/zinc/82/03/90/562820390.db2.gz ONQKJLHUNHPZMA-UHFFFAOYSA-N 1 2 517.622 6.341 1 0 KKAFLO CC[N@@H+](CCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O)Cc1ccccc1OC ZINC000103251936 562820391 /nfs/dbraw/zinc/82/03/91/562820391.db2.gz ONQKJLHUNHPZMA-UHFFFAOYSA-N 1 2 517.622 6.341 1 0 KKAFLO O=C(c1ccccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103261469 562821398 /nfs/dbraw/zinc/82/13/98/562821398.db2.gz PNGVXWKXXOFILD-NDEPHWFRSA-N 1 2 606.567 5.522 1 0 KKAFLO CC[C@@](O)(c1c[nH+]cn1C)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263803 562821810 /nfs/dbraw/zinc/82/18/10/562821810.db2.gz SWVWFVRGBYSYCX-FIBWVYCGSA-N 1 2 550.103 5.262 1 0 KKAFLO O=S(=O)(Nc1ncccn1)c1ccc(NCCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103273167 562823092 /nfs/dbraw/zinc/82/30/92/562823092.db2.gz DWSXDZOAFHNRBY-GDLZYMKVSA-N 1 2 577.154 5.140 1 0 KKAFLO Nc1ccc(S(=O)(=O)N(CCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccs2)cc1 ZINC000103276508 562823236 /nfs/dbraw/zinc/82/32/36/562823236.db2.gz LKXYQODLIOJNJJ-MUUNZHRXSA-N 1 2 582.195 5.371 1 0 KKAFLO CCS(=O)(=O)Nc1ccc2c(c1)C(=C(Nc1ccc([NH+]3CCCCC3)cc1)c1ccccc1)C(=O)N2 ZINC000103298329 562824781 /nfs/dbraw/zinc/82/47/81/562824781.db2.gz AFRBHYZXVZFFKS-RQZHXJHFSA-N 1 2 502.640 5.371 1 0 KKAFLO C[N@@H+]1CCC[C@@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)nc1 ZINC000114037950 562827247 /nfs/dbraw/zinc/82/72/47/562827247.db2.gz XPUUSISYMIEIRQ-RUZDIDTESA-N 1 2 517.004 6.898 1 0 KKAFLO C[N@H+]1CCC[C@@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)nc1 ZINC000114037950 562827248 /nfs/dbraw/zinc/82/72/48/562827248.db2.gz XPUUSISYMIEIRQ-RUZDIDTESA-N 1 2 517.004 6.898 1 0 KKAFLO O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CC[NH2+]CC2)c1)C1CC1 ZINC000114039727 562827406 /nfs/dbraw/zinc/82/74/06/562827406.db2.gz QMCHGINPCOHGAR-UHFFFAOYSA-N 1 2 522.436 6.372 1 0 KKAFLO O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccs1 ZINC000114980311 562828665 /nfs/dbraw/zinc/82/86/65/562828665.db2.gz TYLRESFCEBFZDI-AREMUKBSSA-N 1 2 552.121 6.698 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(C[C@H](C[NH+]6CCOCC6)OC(=O)C6CCCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000135618318 562831042 /nfs/dbraw/zinc/83/10/42/562831042.db2.gz YMOMNAOZYURCSJ-KRYOYHAASA-N 1 2 598.825 5.614 1 0 KKAFLO CC1=CC[C@H](C(C)C)[C@H]2C[C@H](OC(=O)C(C)(C)C)[C@@H](O)/C=C\C[C@@H](OC(=O)/C=C/c3cn(C)c[nH+]3)C[C@@H]12 ZINC000135647295 562831053 /nfs/dbraw/zinc/83/10/53/562831053.db2.gz REGAAYOZAUTNGD-NCFCJWCYSA-N 1 2 512.691 5.259 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(N3CCc4ccccc4C3)nc(NCc3ccccc3)[nH+]2)cc1)c1cccc(C)c1 ZINC000141047396 562833445 /nfs/dbraw/zinc/83/34/45/562833445.db2.gz UXAARJRUKXHTLY-UHFFFAOYSA-N 1 2 583.740 6.634 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)[nH+]c(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 ZINC000141047396 562833446 /nfs/dbraw/zinc/83/34/46/562833446.db2.gz UXAARJRUKXHTLY-UHFFFAOYSA-N 1 2 583.740 6.634 1 0 KKAFLO CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(N3CCc4ccccc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000141047396 562833447 /nfs/dbraw/zinc/83/34/47/562833447.db2.gz UXAARJRUKXHTLY-UHFFFAOYSA-N 1 2 583.740 6.634 1 0 KKAFLO Clc1ccc(Cl)c(C[NH+]2CCN(c3nc4cc(Br)ccc4nc3NC3CC3)CC2)c1 ZINC000144432599 562836225 /nfs/dbraw/zinc/83/62/25/562836225.db2.gz ISNQXGXYOONJSY-UHFFFAOYSA-N 1 2 507.263 5.596 1 0 KKAFLO CN(Cc1cc[nH+]c(N2CCCC2)c1)C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145667405 562837435 /nfs/dbraw/zinc/83/74/35/562837435.db2.gz UPUITPHAGPXZHJ-VWLOTQADSA-N 1 2 526.662 6.269 1 0 KKAFLO C[N@H+]1C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000147817874 562839743 /nfs/dbraw/zinc/83/97/43/562839743.db2.gz DZEQBPTXICASFA-SJLPKXTDSA-N 1 2 517.605 5.411 1 0 KKAFLO C[N@@H+]1C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000147817874 562839744 /nfs/dbraw/zinc/83/97/44/562839744.db2.gz DZEQBPTXICASFA-SJLPKXTDSA-N 1 2 517.605 5.411 1 0 KKAFLO NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCCc2c[nH+]c[nH]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593691 562846451 /nfs/dbraw/zinc/84/64/51/562846451.db2.gz RBAAYWOHJRNGIN-QGZVFWFLSA-N 1 2 644.351 5.312 1 0 KKAFLO NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCCc2c[nH]c[nH+]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593691 562846452 /nfs/dbraw/zinc/84/64/52/562846452.db2.gz RBAAYWOHJRNGIN-QGZVFWFLSA-N 1 2 644.351 5.312 1 0 KKAFLO CS(=O)(=O)Nc1ccc(-c2nc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CC[NH+]3CCOCC3)sc2Cl)cc1 ZINC000150599798 562847072 /nfs/dbraw/zinc/84/70/72/562847072.db2.gz LXXGTJCULKOZOM-UHFFFAOYSA-N 1 2 690.238 6.502 1 0 KKAFLO Cn1c2cc(N3CCC[C@@H](C(F)(F)F)C3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165377074 562850154 /nfs/dbraw/zinc/85/01/54/562850154.db2.gz DCSQPSMZXHECTE-QGZVFWFLSA-N 1 2 695.536 7.747 1 0 KKAFLO CC1=C(C[N@@H+]2CCC[C@H]2COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)[C@@H]2C(C)=C(OCc3ccccc3)C(C)=C(C)[C@@H]2O1 ZINC000169313800 562855650 /nfs/dbraw/zinc/85/56/50/562855650.db2.gz WVDCGUJDPGZFDC-UDRKEFQJSA-N 1 2 600.781 6.554 1 0 KKAFLO Clc1ccc2c(Nc3ccc(Nc4nc(NCCN5CCOCC5)nc(N5CCCc6ccccc65)n4)cc3)cc[nH+]c2c1 ZINC000169323820 562857171 /nfs/dbraw/zinc/85/71/71/562857171.db2.gz WOGYPYXRAGMQRQ-UHFFFAOYSA-N 1 2 608.150 6.389 1 0 KKAFLO Cc1ccc(Cl)cc1N1CC[NH+](CCOC(=O)c2ccccc2Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000169333339 562859272 /nfs/dbraw/zinc/85/92/72/562859272.db2.gz GFIDQMYOXYEURS-UHFFFAOYSA-N 1 2 535.475 6.573 1 0 KKAFLO Nc1[nH+]ccc(Oc2ccc(NC(=O)[C@]3(Cl)CCCN(c4ccc(F)cc4)C3=O)cc2F)c1Cl ZINC000169333348 562859276 /nfs/dbraw/zinc/85/92/76/562859276.db2.gz NMUOJDWOISQZJO-HSZRJFAPSA-N 1 2 507.324 5.131 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700894 562867727 /nfs/dbraw/zinc/86/77/27/562867727.db2.gz GXBRLPGVQSXEAM-UHFFFAOYSA-N 1 2 681.509 7.357 1 0 KKAFLO CN(c1ccc(F)c(Cl)c1)c1cc2c(cc1C(=O)NCC(F)(F)F)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700896 562867786 /nfs/dbraw/zinc/86/77/86/562867786.db2.gz UOXCDSFQEITSFY-UHFFFAOYSA-N 1 2 687.953 8.139 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NCC3CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700913 562867794 /nfs/dbraw/zinc/86/77/94/562867794.db2.gz ZXEUOVSPINUMGY-UHFFFAOYSA-N 1 2 607.533 6.271 1 0 KKAFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2ccc(N)cc2Cl)c1Cl ZINC000169701045 562867896 /nfs/dbraw/zinc/86/78/96/562867896.db2.gz MNLLCAJRGWQSFZ-UHFFFAOYSA-N 1 2 764.986 8.250 1 0 KKAFLO Cn1c2cc(N3CC[C@H](F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701020 562867904 /nfs/dbraw/zinc/86/79/04/562867904.db2.gz XBYSVDFQLHARSL-SFHVURJKSA-N 1 2 695.545 7.985 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701064 562867955 /nfs/dbraw/zinc/86/79/55/562867955.db2.gz RFRLIIPOBNNSLQ-QGZVFWFLSA-N 1 2 663.984 7.879 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)O)c1Cl ZINC000169701066 562867959 /nfs/dbraw/zinc/86/79/59/562867959.db2.gz GHLQZNDGQUXANY-MRXNPFEDSA-N 1 2 665.956 6.604 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCCc3ccccc3)c(OCC(F)F)cc21 ZINC000169703122 562868624 /nfs/dbraw/zinc/86/86/24/562868624.db2.gz NBTARXDYVJFLSS-UHFFFAOYSA-N 1 2 632.539 6.902 1 0 KKAFLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710463 562870676 /nfs/dbraw/zinc/87/06/76/562870676.db2.gz NMHMFDRUMIMISV-DEOSSOPVSA-N 1 2 528.634 5.163 1 0 KKAFLO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000200026818 562873316 /nfs/dbraw/zinc/87/33/16/562873316.db2.gz MXJXJTOMOCWUKN-UHFFFAOYSA-N 1 2 622.988 5.637 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200644464 562873410 /nfs/dbraw/zinc/87/34/10/562873410.db2.gz YUTMPZJGRVRLLE-USIGKAAMSA-N 1 2 754.983 6.470 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N2Cc3[nH]c[nH+]c3C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200644464 562873411 /nfs/dbraw/zinc/87/34/11/562873411.db2.gz YUTMPZJGRVRLLE-USIGKAAMSA-N 1 2 754.983 6.470 1 0 KKAFLO COC(=O)N[C@H](C(=O)N[C@@H](C)c1[nH]cc(C2CCN(c3c(F)cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3F)CC2)[nH+]1)C(C)C ZINC000202702703 562873815 /nfs/dbraw/zinc/87/38/15/562873815.db2.gz HQNSYOHJKOFGOV-VYNBWZAHSA-N 1 2 755.868 5.064 1 0 KKAFLO O=S(=O)(Nc1ccncn1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c1 ZINC000206131903 562876335 /nfs/dbraw/zinc/87/63/35/562876335.db2.gz BRVBNTMXWCBWKC-UHFFFAOYSA-N 1 2 510.541 5.493 1 0 KKAFLO C[C@@H](c1ccc(C(C)(C)C)nc1)[N@@H+]1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224834400 562880558 /nfs/dbraw/zinc/88/05/58/562880558.db2.gz DUVASYYCXRCGHW-DEOSSOPVSA-N 1 2 577.810 7.951 1 0 KKAFLO C[C@@H](c1ccc(C(C)(C)C)nc1)[N@H+]1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224834400 562880559 /nfs/dbraw/zinc/88/05/59/562880559.db2.gz DUVASYYCXRCGHW-DEOSSOPVSA-N 1 2 577.810 7.951 1 0 KKAFLO O=S(=O)(Nc1ncc(F)s1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2-n2cc[nH+]c2)c1 ZINC000225118092 562880750 /nfs/dbraw/zinc/88/07/50/562880750.db2.gz GMERQYNMQXFQDH-UHFFFAOYSA-N 1 2 518.517 6.108 1 0 KKAFLO O=C(Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000299829289 562884836 /nfs/dbraw/zinc/88/48/36/562884836.db2.gz RKYWJGOKHMLHHS-HHHXNRCGSA-N 1 2 605.353 7.813 1 0 KKAFLO CS(=O)(=O)CC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000299837082 562887410 /nfs/dbraw/zinc/88/74/10/562887410.db2.gz PILNXPUSWCNKOU-MHZLTWQESA-N 1 2 673.188 5.725 1 0 KKAFLO Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nc3nc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840236 562888481 /nfs/dbraw/zinc/88/84/81/562888481.db2.gz WEPJXNOWNHMCFH-UHFFFAOYSA-N 1 2 616.648 5.970 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856214 562891904 /nfs/dbraw/zinc/89/19/04/562891904.db2.gz IRXPYSOEJZVFBM-MHZLTWQESA-N 1 2 605.198 6.269 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856214 562891905 /nfs/dbraw/zinc/89/19/05/562891905.db2.gz IRXPYSOEJZVFBM-MHZLTWQESA-N 1 2 605.198 6.269 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](O)C(C)C)C2CCCCC2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000473111300 562898572 /nfs/dbraw/zinc/89/85/72/562898572.db2.gz AGNQEWGMERNIMW-BGZPVFPPSA-N 1 2 708.937 6.226 1 0 KKAFLO NC(=O)c1c[nH+]c2ccc(-c3csc(NC(=S)Nc4ccccc4)n3)cc2c1Nc1ccc(Br)cc1 ZINC000473124773 562899649 /nfs/dbraw/zinc/89/96/49/562899649.db2.gz PBFLTRAISKHLPS-UHFFFAOYSA-N 1 2 575.517 6.194 1 0 KKAFLO NC(=O)c1c[nH+]c2ccc(-c3csc(NC(=S)Nc4ccccc4)n3)cc2c1Nc1ccc(Cl)cc1 ZINC000473127297 562899838 /nfs/dbraw/zinc/89/98/38/562899838.db2.gz VPIGXJUYXUPKMV-UHFFFAOYSA-N 1 2 531.066 6.085 1 0 KKAFLO CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000473194436 562903605 /nfs/dbraw/zinc/90/36/05/562903605.db2.gz FZVUREXLVKVQEX-MRXNPFEDSA-N 1 2 537.451 5.390 1 0 KKAFLO CC(C)C(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473194495 562903636 /nfs/dbraw/zinc/90/36/36/562903636.db2.gz ORLZUJSQQRLTIA-SAABIXHNSA-N 1 2 515.485 6.102 1 0 KKAFLO [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc43)cn2)C1 ZINC000473213488 562903875 /nfs/dbraw/zinc/90/38/75/562903875.db2.gz NHIOHZSWBYQOAB-KRWDZBQOSA-N 1 2 549.462 5.390 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(OC[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)c4)nc(C)[nH+]3)cc12 ZINC000653671261 562906154 /nfs/dbraw/zinc/90/61/54/562906154.db2.gz DUEPTQHWTWJJTR-LADGPHEKSA-N 1 2 556.707 7.706 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653714263 562908421 /nfs/dbraw/zinc/90/84/21/562908421.db2.gz LQFJUBHVTBZRBF-UHFFFAOYSA-N 1 2 628.737 5.759 1 0 KKAFLO CC(C)C1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=[NH+]1 ZINC000653757808 562911094 /nfs/dbraw/zinc/91/10/94/562911094.db2.gz FBXDRXUYFZHBFJ-HHHXNRCGSA-N 1 2 537.027 5.396 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000653760067 562911255 /nfs/dbraw/zinc/91/12/55/562911255.db2.gz JGZBGIYKXKIGEC-UHFFFAOYSA-N 1 2 623.584 7.874 1 0 KKAFLO Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccc(C[NH+]3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773164 562911833 /nfs/dbraw/zinc/91/18/33/562911833.db2.gz CWJRLWWUGZRACE-UHFFFAOYSA-N 1 2 577.656 6.440 1 0 KKAFLO COc1cccc(Oc2ccccc2C[NH+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccc2Oc2cccc(OC)c2)c1 ZINC000653777834 562911982 /nfs/dbraw/zinc/91/19/82/562911982.db2.gz HONXILKYOFNTMF-LJAQVGFWSA-N 1 2 542.632 6.093 1 0 KKAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)nc(NC3CCCCC3)[nH+]2)C(F)(F)F)n1 ZINC000653790380 562912584 /nfs/dbraw/zinc/91/25/84/562912584.db2.gz DPLKYMPQVFRMOZ-YIXXDRMTSA-N 1 2 648.130 6.084 1 0 KKAFLO Cn1c2ccccc2nc1-c1cccc(N2CCc3sc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3C2)c1 ZINC000653864003 562916140 /nfs/dbraw/zinc/91/61/40/562916140.db2.gz BNKXCWJCGDWHCT-UHFFFAOYSA-N 1 2 623.826 7.412 1 0 KKAFLO CC(C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(C(F)(F)F)cc4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000653872524 562916461 /nfs/dbraw/zinc/91/64/61/562916461.db2.gz RACVLACLIOGVRT-SNAWJCMRSA-N 1 2 676.740 6.163 1 0 KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@H]4[C@@H](C[C@@H]3C(C)C)CC[C@H](OC)C[C@@H]4[C@@H](O)C2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629297 565161763 /nfs/dbraw/zinc/16/17/63/565161763.db2.gz JRYDITGQXFCVAX-WYSXOIITSA-N 1 2 694.910 6.732 1 0 biogenic,in-vitro KKAFLO O=c1[nH]nc(-c2cccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[NH+]5CCCC5)cc3)CC4)c2)[nH]1 ZINC000001494449 561676494 /nfs/dbraw/zinc/67/64/94/561676494.db2.gz QNPOXJFBWDKXGC-UHFFFAOYSA-N 1 2 599.617 5.435 1 0 in-vitro KKAFLO CC(C)(Nc1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1)c1ccccc1 ZINC000001549621 561677442 /nfs/dbraw/zinc/67/74/42/561677442.db2.gz KMRMUJAZIVSBBF-QHCPKHFHSA-N 1 2 541.545 6.640 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000003937465 561688746 /nfs/dbraw/zinc/68/87/46/561688746.db2.gz RBPBEGQBSIAIKS-LHEWISCISA-N 1 2 699.852 6.483 1 0 KKAFLO O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000003937465 561688748 /nfs/dbraw/zinc/68/87/48/561688748.db2.gz RBPBEGQBSIAIKS-LHEWISCISA-N 1 2 699.852 6.483 1 0 KKAFLO CN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCOCc1ccccc1 ZINC000003939724 561689029 /nfs/dbraw/zinc/68/90/29/561689029.db2.gz DMDNVTGBTWNCCO-AARKOHAPSA-N 1 2 689.813 5.229 1 0 KKAFLO CN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCOCc1ccccc1 ZINC000003939724 561689031 /nfs/dbraw/zinc/68/90/31/561689031.db2.gz DMDNVTGBTWNCCO-AARKOHAPSA-N 1 2 689.813 5.229 1 0 KKAFLO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000005582801 561697316 /nfs/dbraw/zinc/69/73/16/561697316.db2.gz BVUCOELPSGTXME-UHFFFAOYSA-N 1 2 584.796 5.970 1 0 KKAFLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643468 561722451 /nfs/dbraw/zinc/72/24/51/561722451.db2.gz IIIZKJYRBVJHEI-UHFFFAOYSA-N 1 2 514.453 5.367 1 0 KKAFLO CC(C)[C@@H](O)c1c[nH+]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 ZINC000013738587 561725807 /nfs/dbraw/zinc/72/58/07/561725807.db2.gz ICRGHZIYDWWKSI-CFBHAYGYSA-N 1 2 507.675 5.312 1 0 KKAFLO CC(C)[C@@H](O)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH+]1 ZINC000013738587 561725808 /nfs/dbraw/zinc/72/58/08/561725808.db2.gz ICRGHZIYDWWKSI-CFBHAYGYSA-N 1 2 507.675 5.312 1 0 KKAFLO FC(F)(F)c1cc(CO[C@H]2CCC[N@H+](CC3N=NC(=S)N3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757043 561727305 /nfs/dbraw/zinc/72/73/05/561727305.db2.gz QRWUPVKNUBTJJH-ICSRJNTNSA-N 1 2 516.511 6.054 1 0 KKAFLO FC(F)(F)c1cc(CO[C@H]2CCC[N@@H+](CC3N=NC(=S)N3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757043 561727306 /nfs/dbraw/zinc/72/73/06/561727306.db2.gz QRWUPVKNUBTJJH-ICSRJNTNSA-N 1 2 516.511 6.054 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)NC1CCCCC1 ZINC000013803062 561730948 /nfs/dbraw/zinc/73/09/48/561730948.db2.gz BTBGNYNSFZIXDH-UHFFFAOYSA-N 1 2 522.653 5.680 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCN(C(=O)c1cccc3ccccc31)C2)NC1CCCCC1 ZINC000013803062 561730949 /nfs/dbraw/zinc/73/09/49/561730949.db2.gz BTBGNYNSFZIXDH-UHFFFAOYSA-N 1 2 522.653 5.680 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)C1CCCCC1 ZINC000013803057 561730964 /nfs/dbraw/zinc/73/09/64/561730964.db2.gz KSJMERNNAXCVER-UHFFFAOYSA-N 1 2 507.638 5.744 1 0 KKAFLO O=C(Nc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCN(C(=O)c1cccc3ccccc31)C2)C1CCCCC1 ZINC000013803057 561730965 /nfs/dbraw/zinc/73/09/65/561730965.db2.gz KSJMERNNAXCVER-UHFFFAOYSA-N 1 2 507.638 5.744 1 0 KKAFLO C[C@@H](Nc1cc(-c2[nH]c(SCc3ccc([S@](C)=O)cc3)nc2-c2ccc(F)cc2)cc[nH+]1)c1ccccc1 ZINC000014177072 561737333 /nfs/dbraw/zinc/73/73/33/561737333.db2.gz SZLYSQJIZDNCQP-WPLJPSAOSA-N 1 2 542.705 7.481 1 0 KKAFLO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2c1 ZINC000014950954 561745878 /nfs/dbraw/zinc/74/58/78/561745878.db2.gz HGYNEVGCUIGPKE-QFIPXVFZSA-N 1 2 591.118 5.395 1 0 KKAFLO CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=[NH+][C@H](C)CO1 ZINC000014963133 561748833 /nfs/dbraw/zinc/74/88/33/561748833.db2.gz HJYDFNHBDGEPFJ-CYBMUJFWSA-N 1 2 596.924 6.213 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@@H]3C(SC)=CC(C)(C)C[C@H]3S1)N(Cc1ccccc1)CC[N@@H+]2Cc1ccccc1 ZINC000019321904 561758351 /nfs/dbraw/zinc/75/83/51/561758351.db2.gz HFNMXHLBLCDVMK-CLJLJLNGSA-N 1 2 578.800 5.709 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@@H]3C(SC)=CC(C)(C)C[C@H]3S1)N(Cc1ccccc1)CC[N@H+]2Cc1ccccc1 ZINC000019321904 561758352 /nfs/dbraw/zinc/75/83/52/561758352.db2.gz HFNMXHLBLCDVMK-CLJLJLNGSA-N 1 2 578.800 5.709 1 0 KKAFLO CC(C)N1CCN(CC[NH+]2CCN([C@@H]3C[C@@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000022940815 561761043 /nfs/dbraw/zinc/76/10/43/561761043.db2.gz MNGBFDADKNTDGN-AZGAKELHSA-N 1 2 501.502 5.334 1 0 KKAFLO Cc1[nH+]c[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1CCc1ccccc1 ZINC000025981919 561764067 /nfs/dbraw/zinc/76/40/67/561764067.db2.gz ATCZOHKTHRESBW-HSZRJFAPSA-N 1 2 555.531 6.237 1 0 KKAFLO Cc1[nH+]c[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025981376 561764071 /nfs/dbraw/zinc/76/40/71/561764071.db2.gz WWSSVYKRGKBYSL-MUUNZHRXSA-N 1 2 542.749 6.228 1 0 KKAFLO COc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000026015807 561766213 /nfs/dbraw/zinc/76/62/13/561766213.db2.gz MLNCSRKKLXZQRO-VMPITWQZSA-N 1 2 554.474 5.491 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1 ZINC000026247026 561773426 /nfs/dbraw/zinc/77/34/26/561773426.db2.gz ZFLXSLWPWICHNH-YDPTYEFTSA-N 1 2 669.933 5.455 1 0 KKAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1 ZINC000026247026 561773427 /nfs/dbraw/zinc/77/34/27/561773427.db2.gz ZFLXSLWPWICHNH-YDPTYEFTSA-N 1 2 669.933 5.455 1 0 KKAFLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270038 561776981 /nfs/dbraw/zinc/77/69/81/561776981.db2.gz IFCFNTZOGXOQEH-PDHQKIGBSA-N 1 2 644.926 6.421 1 0 KKAFLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270038 561776982 /nfs/dbraw/zinc/77/69/82/561776982.db2.gz IFCFNTZOGXOQEH-PDHQKIGBSA-N 1 2 644.926 6.421 1 0 KKAFLO NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc2)s1 ZINC000026388879 561785164 /nfs/dbraw/zinc/78/51/64/561785164.db2.gz XHYVDZQPVPOUOG-UHFFFAOYSA-N 1 2 626.765 5.264 1 0 KKAFLO CC(C)c1c[nH+]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@H](C)O)[nH]1 ZINC000026486361 561792456 /nfs/dbraw/zinc/79/24/56/561792456.db2.gz VMCFMBZLIOSMCO-PSXWTVODSA-N 1 2 612.771 5.014 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@@H+]3Cc3cccc(Cl)c32)cc1)c1ccccc1-c1ccccc1 ZINC000026659489 561810037 /nfs/dbraw/zinc/81/00/37/561810037.db2.gz SWFWMZCZWMQLGN-AREMUKBSSA-N 1 2 554.115 6.837 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCC[N@H+]3Cc3cccc(Cl)c32)cc1)c1ccccc1-c1ccccc1 ZINC000026659489 561810038 /nfs/dbraw/zinc/81/00/38/561810038.db2.gz SWFWMZCZWMQLGN-AREMUKBSSA-N 1 2 554.115 6.837 1 0 KKAFLO O=S(=O)(c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N(Cc1c[nH+]c[nH]1)CC1CCCCC1 ZINC000026663929 561810690 /nfs/dbraw/zinc/81/06/90/561810690.db2.gz ZPXINRJMXDYWRS-UHFFFAOYSA-N 1 2 561.674 5.526 1 0 KKAFLO O=S(=O)(c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N(Cc1c[nH]c[nH+]1)CC1CCCCC1 ZINC000026663929 561810693 /nfs/dbraw/zinc/81/06/93/561810693.db2.gz ZPXINRJMXDYWRS-UHFFFAOYSA-N 1 2 561.674 5.526 1 0 KKAFLO Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCC[N@@H+]2Cc2ccccc21 ZINC000026663412 561810790 /nfs/dbraw/zinc/81/07/90/561810790.db2.gz NFTIDUCUMVSAOA-MHZLTWQESA-N 1 2 533.697 6.492 1 0 KKAFLO Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCC[N@H+]2Cc2ccccc21 ZINC000026663412 561810792 /nfs/dbraw/zinc/81/07/92/561810792.db2.gz NFTIDUCUMVSAOA-MHZLTWQESA-N 1 2 533.697 6.492 1 0 KKAFLO CCOC(=O)C1=C(COCCn2c(C)[nH+]c3ccccc32)NC(C)=C(C(=O)NC(C)(C)C)[C@@H]1c1ccccc1Cl ZINC000026828265 561822406 /nfs/dbraw/zinc/82/24/06/561822406.db2.gz CWWHGYKGRHDFBA-MCKMWFOCSA-N 1 2 565.114 6.248 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@@H](c2ccccc2Cl)C1C(=O)OCCOC ZINC000026839455 561825324 /nfs/dbraw/zinc/82/53/24/561825324.db2.gz VSBQMHAEFRINSA-HONSFURUSA-N 1 2 587.076 6.347 1 0 KKAFLO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2 ZINC000026964858 561829884 /nfs/dbraw/zinc/82/98/84/561829884.db2.gz NSEGOJXLVQTIAC-QGBLWHLESA-N 1 2 614.808 6.712 1 0 KKAFLO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2 ZINC000026964858 561829886 /nfs/dbraw/zinc/82/98/86/561829886.db2.gz NSEGOJXLVQTIAC-QGBLWHLESA-N 1 2 614.808 6.712 1 0 KKAFLO FC(F)(F)c1cc(COC[C@H](c2ccccc2)[NH+]2CCN(CCCCc3nn[nH]n3)CC2)cc(C(F)(F)F)c1 ZINC000027517444 561861191 /nfs/dbraw/zinc/86/11/91/561861191.db2.gz VLROGTSVMJUONC-HSZRJFAPSA-N 1 2 556.555 5.136 1 0 KKAFLO S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH+]c[nH]1 ZINC000027524447 561865712 /nfs/dbraw/zinc/86/57/12/561865712.db2.gz YZOMBPDHOVUNRI-UHFFFAOYSA-N 1 2 584.415 6.148 1 0 KKAFLO S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]c[nH+]1 ZINC000027524447 561865713 /nfs/dbraw/zinc/86/57/13/561865713.db2.gz YZOMBPDHOVUNRI-UHFFFAOYSA-N 1 2 584.415 6.148 1 0 KKAFLO CN(Cc1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027868409 561887992 /nfs/dbraw/zinc/88/79/92/561887992.db2.gz PYMWHQDWPKXMFS-QHCPKHFHSA-N 1 2 527.518 5.929 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC[NH+]([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027986466 561892387 /nfs/dbraw/zinc/89/23/87/561892387.db2.gz YDDWRTVPRXYBAT-MUUNZHRXSA-N 1 2 539.120 5.104 1 0 KKAFLO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+]([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027995296 561893750 /nfs/dbraw/zinc/89/37/50/561893750.db2.gz FBAAQDIYOZAXRT-HKBQPEDESA-N 1 2 508.065 5.899 1 0 KKAFLO FC(F)(F)CC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000028133754 561906215 /nfs/dbraw/zinc/90/62/15/561906215.db2.gz RMZZLRZAUNSNLY-UHFFFAOYSA-N 1 2 597.239 9.474 1 0 KKAFLO FC(F)(F)CC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000028133754 561906218 /nfs/dbraw/zinc/90/62/18/561906218.db2.gz RMZZLRZAUNSNLY-UHFFFAOYSA-N 1 2 597.239 9.474 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000028259549 561912022 /nfs/dbraw/zinc/91/20/22/561912022.db2.gz BVOOEWPVVRLXME-UHFFFAOYSA-N 1 2 592.971 7.138 1 0 KKAFLO CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCC(CCO)CC3)c2)cc1C(F)(F)F ZINC000028347450 561915037 /nfs/dbraw/zinc/91/50/37/561915037.db2.gz MPPICRKUKRZKSE-UHFFFAOYSA-N 1 2 500.630 7.641 1 0 KKAFLO O=C(C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000028456216 561923647 /nfs/dbraw/zinc/92/36/47/561923647.db2.gz SLVFSRDJYKZSDK-MUUNZHRXSA-N 1 2 600.100 5.148 1 0 KKAFLO C[C@H](Cc1c[nH]c2c1cccc2OS(=O)(=O)c1cccs1)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000028456450 561923829 /nfs/dbraw/zinc/92/38/29/561923829.db2.gz MHZUEPXBTVAPLN-JPYJTQIMSA-N 1 2 617.796 5.114 1 0 KKAFLO COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)[NH2+]C23CCCCCC3)c1 ZINC000028520594 561928950 /nfs/dbraw/zinc/92/89/50/561928950.db2.gz BSUZSOZFXWWKID-LXFBAYGMSA-N 1 2 500.687 5.918 1 0 KKAFLO Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(C[NH+]5CCOCC5)cc43)C[C@H]1c1ccccc1O2 ZINC000028524793 561930992 /nfs/dbraw/zinc/93/09/92/561930992.db2.gz RSLIYCZOUUDQMA-AHPZTNMXSA-N 1 2 535.438 6.249 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COCc2cccc(C(F)(F)F)c2F)cc1 ZINC000028525313 561931177 /nfs/dbraw/zinc/93/11/77/561931177.db2.gz SRRBYMWEYRAMOB-XMMPIXPASA-N 1 2 576.587 5.360 1 0 KKAFLO CCCCCc1ccc(C(=O)N(CC[NH+]2CCOCC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000028604175 561940609 /nfs/dbraw/zinc/94/06/09/561940609.db2.gz PUVYVEFZGKSNAD-UHFFFAOYSA-N 1 2 514.666 5.790 1 0 KKAFLO Cn1cnc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)[C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816065 561963706 /nfs/dbraw/zinc/96/37/06/561963706.db2.gz DDWRMWPIJQCGAI-RUZDIDTESA-N 1 2 610.662 5.255 1 0 KKAFLO CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822148 561966699 /nfs/dbraw/zinc/96/66/99/561966699.db2.gz TVVGEQBGMZKVKU-UHFFFAOYSA-N 1 2 643.066 8.077 1 0 KKAFLO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949702 561980777 /nfs/dbraw/zinc/98/07/77/561980777.db2.gz HNRSWIBLSLTBRF-JOCHJYFZSA-N 1 2 541.696 5.500 1 0 KKAFLO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[nH]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949702 561980779 /nfs/dbraw/zinc/98/07/79/561980779.db2.gz HNRSWIBLSLTBRF-JOCHJYFZSA-N 1 2 541.696 5.500 1 0 KKAFLO CN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)nc[nH+]1 ZINC000028952840 561982182 /nfs/dbraw/zinc/98/21/82/561982182.db2.gz IUAKFNKCUQYXHJ-UHFFFAOYSA-N 1 2 502.497 5.820 1 0 KKAFLO Cc1cc(Br)c(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(NCC[NH+]3CCOCC3)sc2c1 ZINC000029126563 561998672 /nfs/dbraw/zinc/99/86/72/561998672.db2.gz QCIFNWRLOYGWDV-UHFFFAOYSA-N 1 2 662.532 6.635 1 0 KKAFLO CS(=O)(=O)Nc1ccc2[nH+]c(-c3ccccc3)cc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 ZINC000029328737 562013599 /nfs/dbraw/zinc/01/35/99/562013599.db2.gz WYYAPKALXVYVFC-UHFFFAOYSA-N 1 2 501.652 6.976 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](C(=O)NCc1ccccc1)N(Cc1c[nH+]cn1C)S(=O)(=O)c1ccccc1 ZINC000029229684 562009125 /nfs/dbraw/zinc/00/91/25/562009125.db2.gz IZMHOHCXLPWBGG-ITBXQACSSA-N 1 2 602.845 7.105 1 0 KKAFLO COc1ccc(-c2nc(SCCCCCn3c4ccccc4[nH+]c3C(C)C)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000029479186 562026894 /nfs/dbraw/zinc/02/68/94/562026894.db2.gz CHJNGYQXDSTVNT-UHFFFAOYSA-N 1 2 540.733 8.197 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@H](N(Cc2ccccc2)C(=O)c2ccco2)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000036160523 562048496 /nfs/dbraw/zinc/04/84/96/562048496.db2.gz FOWBIQIEPIBKKC-VTIYRKAUSA-N 1 2 636.793 6.931 1 0 KKAFLO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c2ccccc21)c1ccccc1Cl ZINC000036188197 562050862 /nfs/dbraw/zinc/05/08/62/562050862.db2.gz AAIIXWICIBRNOC-UHFFFAOYSA-N 1 2 614.533 6.457 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)cs2)c1 ZINC000036338898 562057440 /nfs/dbraw/zinc/05/74/40/562057440.db2.gz XAUJPUSQPFKXTF-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)cs2)c1 ZINC000036338898 562057442 /nfs/dbraw/zinc/05/74/42/562057442.db2.gz XAUJPUSQPFKXTF-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)cs2)c1 ZINC000036338898 562057445 /nfs/dbraw/zinc/05/74/45/562057445.db2.gz XAUJPUSQPFKXTF-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3[nH]nc4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)cs2)c1 ZINC000036338898 562057447 /nfs/dbraw/zinc/05/74/47/562057447.db2.gz XAUJPUSQPFKXTF-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO CCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338896 562057522 /nfs/dbraw/zinc/05/75/22/562057522.db2.gz SYPCNIVYAZIDIK-UHFFFAOYSA-N 1 2 540.737 5.819 1 0 KKAFLO CCN(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338896 562057524 /nfs/dbraw/zinc/05/75/24/562057524.db2.gz SYPCNIVYAZIDIK-UHFFFAOYSA-N 1 2 540.737 5.819 1 0 KKAFLO CCN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338896 562057526 /nfs/dbraw/zinc/05/75/26/562057526.db2.gz SYPCNIVYAZIDIK-UHFFFAOYSA-N 1 2 540.737 5.819 1 0 KKAFLO O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000038145493 562064199 /nfs/dbraw/zinc/06/41/99/562064199.db2.gz KRPHWRKCUPGWEH-UHFFFAOYSA-N 1 2 540.689 5.220 3 0 KKAFLO O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000038145493 562064202 /nfs/dbraw/zinc/06/42/02/562064202.db2.gz KRPHWRKCUPGWEH-UHFFFAOYSA-N 1 2 540.689 5.220 3 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000039167537 562072742 /nfs/dbraw/zinc/07/27/42/562072742.db2.gz MDPULBLYZQWTKD-MDNUFGMLSA-N 1 2 524.683 5.010 1 0 KKAFLO Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000039167537 562072744 /nfs/dbraw/zinc/07/27/44/562072744.db2.gz MDPULBLYZQWTKD-MDNUFGMLSA-N 1 2 524.683 5.010 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(NC(=O)c5ccc(F)c(Cl)c5)nn(C)c4c3)c2cc1OC ZINC000040392636 562073672 /nfs/dbraw/zinc/07/36/72/562073672.db2.gz GUWVBQMRCXNYMQ-UHFFFAOYSA-N 1 2 506.921 5.976 1 0 KKAFLO CN(c1ccc2c(c1)[nH+]c(Cc1ccc3c(c1)CCO3)n2CC1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000040431092 562076840 /nfs/dbraw/zinc/07/68/40/562076840.db2.gz MCYQOAGFUJAXQC-UHFFFAOYSA-N 1 2 515.679 5.967 1 0 KKAFLO S=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000042803732 562088369 /nfs/dbraw/zinc/08/83/69/562088369.db2.gz QURASFLBSZXYIT-UHFFFAOYSA-N 1 2 595.736 6.460 1 0 KKAFLO S=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3ccn12 ZINC000042803732 562088372 /nfs/dbraw/zinc/08/83/72/562088372.db2.gz QURASFLBSZXYIT-UHFFFAOYSA-N 1 2 595.736 6.460 1 0 KKAFLO C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000043152532 562646368 /nfs/dbraw/zinc/64/63/68/562646368.db2.gz RXHOSXWWMGMFAO-CQSZACIVSA-N 1 2 523.540 5.989 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(N3CCOCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000043173944 562646609 /nfs/dbraw/zinc/64/66/09/562646609.db2.gz LKHROBPDTDXUDN-UHFFFAOYSA-N 1 2 538.496 5.095 1 0 KKAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N(CCN(Cc1c[nH+]c[nH]1)c1ccccc1)Cc1ccccc1 ZINC000043532653 562649379 /nfs/dbraw/zinc/64/93/79/562649379.db2.gz KUOAAZHMKTZVEK-UHFFFAOYSA-N 1 2 539.705 5.527 1 0 KKAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N(CCN(Cc1c[nH]c[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000043532653 562649380 /nfs/dbraw/zinc/64/93/80/562649380.db2.gz KUOAAZHMKTZVEK-UHFFFAOYSA-N 1 2 539.705 5.527 1 0 KKAFLO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044052906 562651901 /nfs/dbraw/zinc/65/19/01/562651901.db2.gz VCGJYQLITQXOFG-WEZIJMHWSA-N 1 2 626.842 7.070 1 0 KKAFLO COc1c(NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1C(=O)N(C)C ZINC000044351083 562654426 /nfs/dbraw/zinc/65/44/26/562654426.db2.gz NQRQKSLJPBKEIZ-UHFFFAOYSA-N 1 2 595.744 6.386 1 0 KKAFLO Cc1ccccc1-c1ccc(Cn2c[nH+]cc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000044351464 562654686 /nfs/dbraw/zinc/65/46/86/562654686.db2.gz OPSUSQJLSXMGLZ-UHFFFAOYSA-N 1 2 562.742 9.463 1 0 KKAFLO CNC(=O)c1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)c1OC ZINC000044358250 562655253 /nfs/dbraw/zinc/65/52/53/562655253.db2.gz CSWNDUQIPHBOTI-UHFFFAOYSA-N 1 2 581.717 6.044 1 0 KKAFLO COc1cc(C)nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5[nH+]c(C)cc(OC)c5c4)cc3)cc21 ZINC000045168262 562658087 /nfs/dbraw/zinc/65/80/87/562658087.db2.gz IMGJIUCZUCQALK-UHFFFAOYSA-N 1 2 506.562 5.922 1 0 KKAFLO CC(C)CCN(Cc1c[nH+]cn1Cc1cccc(C(F)(F)F)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000045195824 562658918 /nfs/dbraw/zinc/65/89/18/562658918.db2.gz JHCJCSAMQHBXNH-UHFFFAOYSA-N 1 2 506.572 6.701 1 0 KKAFLO COc1cc(OC)cc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000045358061 562661969 /nfs/dbraw/zinc/66/19/69/562661969.db2.gz RPLRXHLXRQIHHQ-UMSFTDKQSA-N 1 2 520.673 6.160 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc2ccccc2c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088909 562664355 /nfs/dbraw/zinc/66/43/55/562664355.db2.gz WAIUDTCFCNYVQX-JGCGQSQUSA-N 1 2 520.032 6.684 1 0 KKAFLO COc1cc2nc(NCc3cccc(CNC(=O)c4ccc(-c5ccc(C(C)=O)cc5)cc4)c3)[nH+]c(N)c2cc1OC ZINC000049626123 562667007 /nfs/dbraw/zinc/66/70/07/562667007.db2.gz FKTGAMSTWHDWDP-UHFFFAOYSA-N 1 2 561.642 5.641 1 0 KKAFLO COc1ccc(Nc2nc3[nH]cc(-c4ccc(NC(=O)c5cccc(C(F)(F)F)c5)cc4)c3c[nH+]2)cc1OC ZINC000049746244 562674351 /nfs/dbraw/zinc/67/43/51/562674351.db2.gz PZXAZMZITCYCBT-UHFFFAOYSA-N 1 2 533.510 6.657 1 0 KKAFLO O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000049756081 562674811 /nfs/dbraw/zinc/67/48/11/562674811.db2.gz JKEBRBIRLXIQRZ-UHFFFAOYSA-N 1 2 550.421 5.175 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2-c2cccc(NC(=O)c3coc(-c4cc(C(F)(F)F)ccc4Cl)c3)c2)cc[nH+]1 ZINC000049778088 562680915 /nfs/dbraw/zinc/68/09/15/562680915.db2.gz UCYYOFPZYBGIEY-INIZCTEOSA-N 1 2 582.970 6.307 1 0 KKAFLO O=C(Nc1ccccc1)N(CC1=C[C@@](Cc2cccc(Cl)c2)(NC(=O)C(Cl)(Cl)Cl)CC1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049778228 562681091 /nfs/dbraw/zinc/68/10/91/562681091.db2.gz SCTWKOCUOZVWKT-MGBGTMOVSA-N 1 2 706.498 7.278 1 0 KKAFLO CCCO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049783886 562683254 /nfs/dbraw/zinc/68/32/54/562683254.db2.gz VLNHAPSHNYUWDY-WJOKGBTCSA-N 1 2 546.498 7.273 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1c(Cl)cccc1Cl)cc(=O)n2C ZINC000049784146 562683464 /nfs/dbraw/zinc/68/34/64/562683464.db2.gz WJOABMFGTCLITL-NDEPHWFRSA-N 1 2 538.862 6.838 1 0 KKAFLO O=C(C=Cc1ccc(Sc2cccc(OCc3c[nH]c[nH+]3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881761 562691087 /nfs/dbraw/zinc/69/10/87/562691087.db2.gz XHNFQBYXWHWBKQ-FNORWQNLSA-N 1 2 557.516 6.050 1 0 KKAFLO O=C(C=Cc1ccc(Sc2cccc(OCc3c[nH+]c[nH]3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881761 562691088 /nfs/dbraw/zinc/69/10/88/562691088.db2.gz XHNFQBYXWHWBKQ-FNORWQNLSA-N 1 2 557.516 6.050 1 0 KKAFLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000049918186 562694591 /nfs/dbraw/zinc/69/45/91/562694591.db2.gz CMZCFOYBDNWLQM-UHFFFAOYSA-N 1 2 595.096 6.481 1 0 KKAFLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000049918186 562694592 /nfs/dbraw/zinc/69/45/92/562694592.db2.gz CMZCFOYBDNWLQM-UHFFFAOYSA-N 1 2 595.096 6.481 1 0 KKAFLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCc2ccccn2)ncn1 ZINC000049925468 562694703 /nfs/dbraw/zinc/69/47/03/562694703.db2.gz GLYDCPPHXDVIKA-UHFFFAOYSA-N 1 2 608.628 7.188 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938415 562695272 /nfs/dbraw/zinc/69/52/72/562695272.db2.gz IFLWLFWRVQTDET-PQHLKRTFSA-N 1 2 688.096 7.394 1 0 KKAFLO CC(C)C(OC(=O)CC[C@H]([NH2+]CCCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(C)C ZINC000049942504 562695519 /nfs/dbraw/zinc/69/55/19/562695519.db2.gz QBXSUCBEOSSYJS-ZPGRZCPFSA-N 1 2 730.899 6.224 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN1c1cccc(Cl)c1 ZINC000052957138 562696021 /nfs/dbraw/zinc/69/60/21/562696021.db2.gz DISVQWQQQWMFSB-UHFFFAOYSA-N 1 2 524.974 6.119 1 0 KKAFLO O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CC[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OCc2ccccc2)n1 ZINC000058590797 562700337 /nfs/dbraw/zinc/70/03/37/562700337.db2.gz MVUPHFNEXAVDDO-XIFFEERXSA-N 1 2 599.687 6.266 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)c(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185156 562701803 /nfs/dbraw/zinc/70/18/03/562701803.db2.gz MFGLLIAYPYACQK-GDLZYMKVSA-N 1 2 631.202 5.790 1 0 KKAFLO Cc1ccc(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)c(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185156 562701804 /nfs/dbraw/zinc/70/18/04/562701804.db2.gz MFGLLIAYPYACQK-GDLZYMKVSA-N 1 2 631.202 5.790 1 0 KKAFLO COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c2nc[nH+]c3N)CC1 ZINC000063298126 562704465 /nfs/dbraw/zinc/70/44/65/562704465.db2.gz NFKMFNBKEOQNPZ-UHFFFAOYSA-N 1 2 548.047 6.069 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(N3CCCCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)nc1 ZINC000064549958 562708160 /nfs/dbraw/zinc/70/81/60/562708160.db2.gz BMFWQCIOYBOEMD-UHFFFAOYSA-N 1 2 537.512 5.643 1 0 KKAFLO S=C(NCCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)NCCCc1c[nH+]c[nH]1 ZINC000064617893 562708841 /nfs/dbraw/zinc/70/88/41/562708841.db2.gz ISTWZTLJICEOOO-UHFFFAOYSA-N 1 2 535.943 5.104 3 0 KKAFLO S=C(NCCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)NCCCc1c[nH]c[nH+]1 ZINC000064617893 562708842 /nfs/dbraw/zinc/70/88/42/562708842.db2.gz ISTWZTLJICEOOO-UHFFFAOYSA-N 1 2 535.943 5.104 3 0 KKAFLO O=C1N(c2ccc(F)c(Cl)c2)[C@@H](c2ccccn2)C12CCN(c1[nH]c3cc(C(F)(F)F)c(F)cc3[nH+]1)CC2 ZINC000064637958 562708958 /nfs/dbraw/zinc/70/89/58/562708958.db2.gz XVGFCIHXNZUCGJ-QFIPXVFZSA-N 1 2 547.915 6.283 1 0 KKAFLO CCCCNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000066111643 562711850 /nfs/dbraw/zinc/71/18/50/562711850.db2.gz VZTRJYJLZJMDBO-UHFFFAOYSA-N 1 2 525.060 7.824 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccccc3Cl)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251596 562714516 /nfs/dbraw/zinc/71/45/16/562714516.db2.gz JDOAQAUEPCNWEQ-COPCDDAFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccccc3Cl)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251596 562714517 /nfs/dbraw/zinc/71/45/17/562714517.db2.gz JDOAQAUEPCNWEQ-COPCDDAFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Cl)c3)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251777 562714558 /nfs/dbraw/zinc/71/45/58/562714558.db2.gz YFBSAPACMNTARV-BVYCBKJFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Cl)c3)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251777 562714559 /nfs/dbraw/zinc/71/45/59/562714559.db2.gz YFBSAPACMNTARV-BVYCBKJFSA-N 1 2 500.870 7.550 1 0 KKAFLO Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)[nH+]c3ccc(-c4nc(-c5ccc(F)cc5)c[nH]4)cn32)cc1 ZINC000071318319 562718452 /nfs/dbraw/zinc/71/84/52/562718452.db2.gz RTLBINOQAMWQMJ-UHFFFAOYSA-N 1 2 581.424 8.324 1 0 KKAFLO O=C(NCC[C@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 ZINC000071318349 562718487 /nfs/dbraw/zinc/71/84/87/562718487.db2.gz DUYVMDDLFWXUHZ-NRFANRHFSA-N 1 2 501.433 5.336 1 0 KKAFLO COc1ccc(C[NH2+][C@@H](CCc2ccccc2)c2nc(Cc3ccccc3)c(N3CCCCC3)o2)cc1OC ZINC000072101124 562720272 /nfs/dbraw/zinc/72/02/72/562720272.db2.gz NOLABLPNMSQXME-NDEPHWFRSA-N 1 2 525.693 6.737 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(CC[C@H](C[NH+]6CCOCC6)OC(=O)C6CCCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072113517 562722437 /nfs/dbraw/zinc/72/24/37/562722437.db2.gz CGYRICHAQQTEDZ-YWJIWSAISA-N 1 2 612.852 6.004 1 0 KKAFLO NC(=O)c1ccc2[nH+]c(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)c(NC3CCCCC3)n2c1 ZINC000072123318 562724704 /nfs/dbraw/zinc/72/47/04/562724704.db2.gz NZBMGFSIVNADRL-UHFFFAOYSA-N 1 2 546.671 7.003 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](CCc1ccccc1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000072136879 562728166 /nfs/dbraw/zinc/72/81/66/562728166.db2.gz IBFMGBXBGSKGGE-HHHXNRCGSA-N 1 2 507.642 5.345 3 0 KKAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000072137524 562728282 /nfs/dbraw/zinc/72/82/82/562728282.db2.gz DNBZDJKFUCDOIB-FZBXJMRCSA-N 1 2 586.758 5.251 3 0 KKAFLO O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCCCn1cc[nH+]c1 ZINC000072145336 562729705 /nfs/dbraw/zinc/72/97/05/562729705.db2.gz RHOYAGCCGJHQBK-AIKCQAODSA-N 1 2 680.850 5.266 3 0 KKAFLO CCc1nc(-c2cccc(CS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)[nH+]c3)n2)s1 ZINC000072175765 562731420 /nfs/dbraw/zinc/73/14/20/562731420.db2.gz YXXFOUVUDFUWQQ-UHFFFAOYSA-N 1 2 639.807 5.611 1 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5ccc(F)cc5)c4)n3)c[nH+]2)CC1 ZINC000072176147 562731508 /nfs/dbraw/zinc/73/15/08/562731508.db2.gz GMZHHUMQOXMDBA-UHFFFAOYSA-N 1 2 672.812 6.138 1 0 KKAFLO COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(N(C)C)[nH+]c2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1[C@H](C)CCC[C@H]1O)C(C)(C)C ZINC000072315377 562733078 /nfs/dbraw/zinc/73/30/78/562733078.db2.gz WNNNZVASJVUTCU-XZODEKKUSA-N 1 2 733.926 5.027 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000072316990 562733136 /nfs/dbraw/zinc/73/31/36/562733136.db2.gz IEUPDMDPHSCKBD-UHFFFAOYSA-N 1 2 615.738 6.182 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000072316991 562733147 /nfs/dbraw/zinc/73/31/47/562733147.db2.gz UWRRERFHPVVHIY-UHFFFAOYSA-N 1 2 571.685 6.131 1 0 KKAFLO O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073164839 562734357 /nfs/dbraw/zinc/73/43/57/562734357.db2.gz CNLOIBCRVNTADY-HSZRJFAPSA-N 1 2 531.455 5.510 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073222989 562736418 /nfs/dbraw/zinc/73/64/18/562736418.db2.gz PSGNUMCZMYVYOF-UHFFFAOYSA-N 1 2 544.030 5.235 1 0 KKAFLO C[C@H](O)[C@@H]1C[N@@H+]2CCc3c4cc(-c5ccc6c(c5)OCO6)ccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000073280172 562737423 /nfs/dbraw/zinc/73/74/23/562737423.db2.gz JMFPTVAGOBHIRX-VCJXGGRGSA-N 1 2 544.696 5.206 3 0 KKAFLO C[C@H](O)[C@@H]1C[N@H+]2CCc3c4cc(-c5ccc6c(c5)OCO6)ccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000073280172 562737424 /nfs/dbraw/zinc/73/74/24/562737424.db2.gz JMFPTVAGOBHIRX-VCJXGGRGSA-N 1 2 544.696 5.206 3 0 KKAFLO CC(C)n1cc(NC(=O)c2ccc(/C=C/c3cnc4ccccc4c3)cc2)cc1C(=O)Nc1cc(C(=O)NCC[NH+]2CCOCC2)n(C)c1 ZINC000082136618 562738895 /nfs/dbraw/zinc/73/88/95/562738895.db2.gz FWYYFSWKIAUMPL-CMDGGOBGSA-N 1 2 659.791 5.693 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(C[NH2+]CC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082139988 562739292 /nfs/dbraw/zinc/73/92/92/562739292.db2.gz PPAWGCAAYIRGCN-GDLZYMKVSA-N 1 2 696.022 6.264 1 0 KKAFLO CC(C)(C)OCC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082139992 562739324 /nfs/dbraw/zinc/73/93/24/562739324.db2.gz KKUXMMOUXDEHIY-JGCGQSQUSA-N 1 2 729.240 5.739 1 0 KKAFLO COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140071 562739330 /nfs/dbraw/zinc/73/93/30/562739330.db2.gz CBRCQLMGVBKUKI-MUUNZHRXSA-N 1 2 705.039 5.203 1 0 KKAFLO CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082140335 562739396 /nfs/dbraw/zinc/73/93/96/562739396.db2.gz BXKOZNGTPBNBRF-JGCGQSQUSA-N 1 2 637.608 5.180 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)cn1 ZINC000082140538 562739501 /nfs/dbraw/zinc/73/95/01/562739501.db2.gz GVLMLWBHRUFQCG-MUUNZHRXSA-N 1 2 677.029 5.278 1 0 KKAFLO CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140738 562739564 /nfs/dbraw/zinc/73/95/64/562739564.db2.gz UIWAJDHVYCPJBU-MUUNZHRXSA-N 1 2 659.105 5.121 1 0 KKAFLO Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3c4CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC000082149521 562739695 /nfs/dbraw/zinc/73/96/95/562739695.db2.gz VOZQHKLBCAYOCV-UMSFTDKQSA-N 1 2 653.852 7.147 1 0 KKAFLO Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3c4CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC000082149521 562739696 /nfs/dbraw/zinc/73/96/96/562739696.db2.gz VOZQHKLBCAYOCV-UMSFTDKQSA-N 1 2 653.852 7.147 1 0 KKAFLO O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000082150862 562739854 /nfs/dbraw/zinc/73/98/54/562739854.db2.gz KIFQPXIYQSYLPN-MGBGTMOVSA-N 1 2 547.674 5.278 1 0 KKAFLO O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082150866 562739883 /nfs/dbraw/zinc/73/98/83/562739883.db2.gz NYAQGUFMXUXORW-UHFFFAOYSA-N 1 2 565.664 5.417 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000082153394 562740150 /nfs/dbraw/zinc/74/01/50/562740150.db2.gz DYSCCNVTZUPPIV-MUUNZHRXSA-N 1 2 552.502 5.501 1 0 KKAFLO O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000082153397 562740176 /nfs/dbraw/zinc/74/01/76/562740176.db2.gz JQWBUNVEYKIDGB-AREMUKBSSA-N 1 2 572.027 5.265 1 0 KKAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c(Cl)cn1 ZINC000082156879 562740812 /nfs/dbraw/zinc/74/08/12/562740812.db2.gz FPJZVPJPDWMQHM-WJOKGBTCSA-N 1 2 625.597 5.475 1 0 KKAFLO O=C(NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1)C1CC1 ZINC000082157420 562740906 /nfs/dbraw/zinc/74/09/06/562740906.db2.gz AOVHLORZTJEDIY-SSEXGKCCSA-N 1 2 669.144 5.291 1 0 KKAFLO COc1cc(-c2cn(CC(=O)N(Cc3ccc(F)cc3)C3C4CC5CC(C4)CC3C5)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084634933 562745988 /nfs/dbraw/zinc/74/59/88/562745988.db2.gz SXAROQNHORDUFM-UHFFFAOYSA-N 1 2 554.670 5.440 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000084688729 562749257 /nfs/dbraw/zinc/74/92/57/562749257.db2.gz AUFYZCHIDFVDQF-UHFFFAOYSA-N 1 2 571.685 6.131 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000084709584 562750400 /nfs/dbraw/zinc/75/04/00/562750400.db2.gz QKDZJZHCHCZGHQ-AJQTZOPKSA-N 1 2 709.887 5.485 1 0 KKAFLO O=c1oc2cc3ncnc(Nc4ccc(OCc5ccc(Cl)cc5)c(Cl)c4)c3cc2n1CCC[NH+]1CCOCC1 ZINC000084727701 562751388 /nfs/dbraw/zinc/75/13/88/562751388.db2.gz CNNHXKTUHSHSAU-UHFFFAOYSA-N 1 2 580.472 5.889 1 0 KKAFLO CC(C)(C)OC(=O)NC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1 ZINC000095542306 562756638 /nfs/dbraw/zinc/75/66/38/562756638.db2.gz LLNBNPMOZDFLAZ-ZYADHFCISA-N 1 2 806.043 5.568 1 0 KKAFLO CC(C)(C)OC(=O)NC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1 ZINC000095542306 562756639 /nfs/dbraw/zinc/75/66/39/562756639.db2.gz LLNBNPMOZDFLAZ-ZYADHFCISA-N 1 2 806.043 5.568 1 0 KKAFLO COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH+](CCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544862 562757948 /nfs/dbraw/zinc/75/79/48/562757948.db2.gz HCQBNTGBKDETHA-UHFFFAOYSA-N 1 2 812.524 8.333 1 0 KKAFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccnc(OC)c4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095555857 562761661 /nfs/dbraw/zinc/76/16/61/562761661.db2.gz IACFHECOPLXIDP-MUUNZHRXSA-N 1 2 625.751 5.027 1 0 KKAFLO CCOc1nc2ccccc2cc1-c1cc2nc(OCC)c(-c3cc4[nH+]c(N5CCCC5)ccc4c(C(C)C)c3)cc2c(C(C)C)c1 ZINC000095555891 562761668 /nfs/dbraw/zinc/76/16/68/562761668.db2.gz DMXCBCUGHHFWAY-UHFFFAOYSA-N 1 2 624.829 10.310 1 0 KKAFLO CCCCc1sc(-c2ccc(OCCC[NH+](CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560632 562763124 /nfs/dbraw/zinc/76/31/24/562763124.db2.gz IMOJUMRYJXVBHX-UHFFFAOYSA-N 1 2 549.180 9.376 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000095561179 562763304 /nfs/dbraw/zinc/76/33/04/562763304.db2.gz WXYLXDGGZGHZGN-UHFFFAOYSA-N 1 2 577.592 6.864 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095566452 562765040 /nfs/dbraw/zinc/76/50/40/562765040.db2.gz IVNKSYFTCQFKFE-PYAKLNENSA-N 1 2 646.810 5.040 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095566452 562765041 /nfs/dbraw/zinc/76/50/41/562765041.db2.gz IVNKSYFTCQFKFE-PYAKLNENSA-N 1 2 646.810 5.040 1 0 KKAFLO Cc1ccc(S(=O)(=O)Nc2ccc3c(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 562768446 /nfs/dbraw/zinc/76/84/46/562768446.db2.gz ZBBNPLMVFVREHD-INRPXOMJSA-N 1 2 719.867 6.742 1 0 KKAFLO Cc1ccc(S(=O)(=O)Nc2ccc3c(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 562768447 /nfs/dbraw/zinc/76/84/47/562768447.db2.gz ZBBNPLMVFVREHD-INRPXOMJSA-N 1 2 719.867 6.742 1 0 KKAFLO COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(N(CC3CC3)CC(F)(F)F)ccc2Cl)ccc1-n1c[nH+]c(C)c1 ZINC000095576553 562770686 /nfs/dbraw/zinc/77/06/86/562770686.db2.gz WFHOICVCWMXDOH-HXUWFJFHSA-N 1 2 572.035 6.201 1 0 KKAFLO COc1ccc2c3c1OC1CC(O)C=CC31CC[N@@H+](CCCCCC(=O)NC13CC4CC(C)(CC(C)(C4)C1)C3)C2 ZINC000095579807 562771635 /nfs/dbraw/zinc/77/16/35/562771635.db2.gz JGXVOAQWJQPIDB-HSTAETNISA-N 1 2 548.768 5.646 1 0 KKAFLO COc1ccc2c3c1OC1CC(O)C=CC31CC[N@H+](CCCCCC(=O)NC13CC4CC(C)(CC(C)(C4)C1)C3)C2 ZINC000095579807 562771636 /nfs/dbraw/zinc/77/16/36/562771636.db2.gz JGXVOAQWJQPIDB-HSTAETNISA-N 1 2 548.768 5.646 1 0 KKAFLO CC(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(CC(=O)Nc5ccccc5)cc4)c3n2)c1 ZINC000095579877 562771695 /nfs/dbraw/zinc/77/16/95/562771695.db2.gz HELQJUWSTQCERT-UHFFFAOYSA-N 1 2 553.626 5.871 1 0 KKAFLO CCCC[C@H](OC(=O)CN1CCCC1)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@H](CCCC)OC(=O)C[NH+]1CCCC1 ZINC000095581410 562772167 /nfs/dbraw/zinc/77/21/67/562772167.db2.gz FAGSBLZOBVEPGN-IOIJEIMKSA-N 1 2 748.914 5.976 1 0 KKAFLO CCCC[C@H](OC(=O)CN1CCCC1)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@H](CCCC)OC(=O)C[NH+]3CCCC3)CO[C@@H]21 ZINC000095581410 562772168 /nfs/dbraw/zinc/77/21/68/562772168.db2.gz FAGSBLZOBVEPGN-IOIJEIMKSA-N 1 2 748.914 5.976 1 0 KKAFLO COc1ccc(-n2c[nH+]c3cc(N(Cc4ccc(C(C)C)cc4)S(=O)(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000095582131 562772406 /nfs/dbraw/zinc/77/24/06/562772406.db2.gz DUNDKBOYYKJVAY-UHFFFAOYSA-N 1 2 525.674 6.861 1 0 KKAFLO O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(C[NH+]3CCC3)n2)cc1F ZINC000095582666 562772685 /nfs/dbraw/zinc/77/26/85/562772685.db2.gz SCPXFIBBBWHCMF-UHFFFAOYSA-N 1 2 566.467 5.845 1 0 KKAFLO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3ccccc3Cl)n1-2 ZINC000095586430 562773946 /nfs/dbraw/zinc/77/39/46/562773946.db2.gz LTUYAJTYUHBCQY-UHFFFAOYSA-N 1 2 547.490 5.096 1 0 KKAFLO CNc1nc[nH+]c(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@@H]12 ZINC000095587959 562774489 /nfs/dbraw/zinc/77/44/89/562774489.db2.gz QMWSOCFQOVCRKD-ASNXGRPXSA-N 1 2 548.732 5.754 1 0 KKAFLO CNc1[nH+]cnc(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@@H]12 ZINC000095587959 562774490 /nfs/dbraw/zinc/77/44/90/562774490.db2.gz QMWSOCFQOVCRKD-ASNXGRPXSA-N 1 2 548.732 5.754 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599354 562777996 /nfs/dbraw/zinc/77/79/96/562777996.db2.gz VIOGDUQZNOFWDO-FILQNJKGSA-N 1 2 712.762 6.783 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599354 562777997 /nfs/dbraw/zinc/77/79/97/562777997.db2.gz VIOGDUQZNOFWDO-FILQNJKGSA-N 1 2 712.762 6.783 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599316 562778007 /nfs/dbraw/zinc/77/80/07/562778007.db2.gz LGFCYAUQAJYOOY-CNFUJFEGSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095599316 562778008 /nfs/dbraw/zinc/77/80/08/562778008.db2.gz LGFCYAUQAJYOOY-CNFUJFEGSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095600128 562778594 /nfs/dbraw/zinc/77/85/94/562778594.db2.gz LGFCYAUQAJYOOY-BHUVWSLTSA-N 1 2 711.869 6.495 1 0 KKAFLO 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(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095600128 562778595 /nfs/dbraw/zinc/77/85/95/562778595.db2.gz LGFCYAUQAJYOOY-BHUVWSLTSA-N 1 2 711.869 6.495 1 0 KKAFLO O=C(Nc1cccc(C(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095601509 562779611 /nfs/dbraw/zinc/77/96/11/562779611.db2.gz BCQXCKNAKLFIAU-UHFFFAOYSA-N 1 2 511.588 6.094 1 0 KKAFLO Cc1cc(-c2cccc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)c2)on1 ZINC000095601793 562779783 /nfs/dbraw/zinc/77/97/83/562779783.db2.gz PPVDIZHHQWCLTQ-UHFFFAOYSA-N 1 2 524.665 6.038 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2c[nH]c[nH+]2)Cc2ccccc2)C(C)C)cs1 ZINC000095602239 562779944 /nfs/dbraw/zinc/77/99/44/562779944.db2.gz JVLQVDCETUHZMB-QSCLJHCWSA-N 1 2 687.911 6.201 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2c[nH+]c[nH]2)Cc2ccccc2)C(C)C)cs1 ZINC000095602239 562779945 /nfs/dbraw/zinc/77/99/45/562779945.db2.gz JVLQVDCETUHZMB-QSCLJHCWSA-N 1 2 687.911 6.201 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095602371 562780034 /nfs/dbraw/zinc/78/00/34/562780034.db2.gz CBAAPWVHONFTKW-LJUIALDASA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095602371 562780035 /nfs/dbraw/zinc/78/00/35/562780035.db2.gz CBAAPWVHONFTKW-LJUIALDASA-N 1 2 724.843 6.039 1 0 KKAFLO COC(=O)c1cccc(NC(=O)N(CCC[NH+]2CCN(C(=O)OC)CC2)CCC(c2ccccc2)c2ccccc2)c1 ZINC000095603842 562780697 /nfs/dbraw/zinc/78/06/97/562780697.db2.gz KPVKTAUYOXYXGZ-UHFFFAOYSA-N 1 2 572.706 5.303 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095846828 562789523 /nfs/dbraw/zinc/78/95/23/562789523.db2.gz NLNOREAGNASAOL-KUXNCQQFSA-N 1 2 643.872 5.476 1 0 KKAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095846828 562789524 /nfs/dbraw/zinc/78/95/24/562789524.db2.gz NLNOREAGNASAOL-KUXNCQQFSA-N 1 2 643.872 5.476 1 0 KKAFLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174070 562791673 /nfs/dbraw/zinc/79/16/73/562791673.db2.gz DXUZWDHSHVHRLP-UHFFFAOYSA-N 1 2 543.631 5.020 1 0 KKAFLO O=C(Nc1nc2ccccc2n1Cc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258275 562792875 /nfs/dbraw/zinc/79/28/75/562792875.db2.gz AADMBJQKWWIIBC-UHFFFAOYSA-N 1 2 573.741 6.473 1 0 KKAFLO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](CC(F)F)CC1 ZINC000096272795 562794294 /nfs/dbraw/zinc/79/42/94/562794294.db2.gz XYPDSQQXLIHTAH-UHFFFAOYSA-N 1 2 622.182 7.339 1 0 KKAFLO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccc(C(C)(C)C)cc2)cc2c[nH]nc21 ZINC000096284719 562795276 /nfs/dbraw/zinc/79/52/76/562795276.db2.gz GNTCBELAKXUQFI-XIFFEERXSA-N 1 2 644.824 6.919 1 0 KKAFLO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc(C(=O)CCc3cccc4ccccc43)c2)CC1 ZINC000096892937 562796686 /nfs/dbraw/zinc/79/66/86/562796686.db2.gz FNKPBTWMGVIQGL-GDLZYMKVSA-N 1 2 508.662 5.526 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@@H+](CCCCCCO)C3 ZINC000096906242 562798704 /nfs/dbraw/zinc/79/87/04/562798704.db2.gz ZWQIBGXROHSEID-QARKUWFXSA-N 1 2 551.856 9.291 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@H+](CCCCCCO)C3 ZINC000096906242 562798705 /nfs/dbraw/zinc/79/87/05/562798705.db2.gz ZWQIBGXROHSEID-QARKUWFXSA-N 1 2 551.856 9.291 1 0 KKAFLO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc21 ZINC000096909361 562799584 /nfs/dbraw/zinc/79/95/84/562799584.db2.gz XKTSUHJUGOBSRV-UHFFFAOYSA-N 1 2 545.712 6.385 1 0 KKAFLO C[C@@]1(c2ccc(Nc3nc(NCc4ccccc4)[nH+]c(NCc4ccccc4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909699 562799677 /nfs/dbraw/zinc/79/96/77/562799677.db2.gz VCNQNTRRAYZLIK-JGCGQSQUSA-N 1 2 542.647 5.868 1 0 KKAFLO C/C=C/[C@H]1C(C(=O)c2c(O)c(-c3ccc(OC(=O)C=Cc4c[nH]c[nH+]4)cc3)c[nH]c2=O)=CC(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910161 562799880 /nfs/dbraw/zinc/79/98/80/562799880.db2.gz RKXYYFYUKBLBFL-FIYKWWQSSA-N 1 2 553.659 6.093 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCc4ccccn4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913945 562800626 /nfs/dbraw/zinc/80/06/26/562800626.db2.gz PNJALJCVWVMTHB-LJAQVGFWSA-N 1 2 567.686 5.145 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCc4ccccn4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913945 562800627 /nfs/dbraw/zinc/80/06/27/562800627.db2.gz PNJALJCVWVMTHB-LJAQVGFWSA-N 1 2 567.686 5.145 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCCCCOc4ccccc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913949 562800680 /nfs/dbraw/zinc/80/06/80/562800680.db2.gz KWAVIJKYXAWCLV-XIFFEERXSA-N 1 2 624.778 6.409 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCCCCOc4ccccc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913949 562800681 /nfs/dbraw/zinc/80/06/81/562800681.db2.gz KWAVIJKYXAWCLV-XIFFEERXSA-N 1 2 624.778 6.409 1 0 KKAFLO O=CN1N=C(c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000096921897 562801569 /nfs/dbraw/zinc/80/15/69/562801569.db2.gz CZRUJFOPJXITIQ-RUZDIDTESA-N 1 2 505.803 6.702 1 0 KKAFLO O=CN1N=C(c2cccc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)C[C@@H]1c1ccc(Br)cc1 ZINC000096921909 562801572 /nfs/dbraw/zinc/80/15/72/562801572.db2.gz GMERJTRSUOAOES-RUZDIDTESA-N 1 2 505.803 6.702 1 0 KKAFLO COc1cc([C@@H]2CC(c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000096921892 562801579 /nfs/dbraw/zinc/80/15/79/562801579.db2.gz HUJHGPWYGOEHOK-SANMLTNESA-N 1 2 531.012 6.355 1 0 KKAFLO COc1cc([C@H]2CC(c3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)=NN2C=O)cc(OC)c1OC ZINC000096921883 562801584 /nfs/dbraw/zinc/80/15/84/562801584.db2.gz PTTVMRANHIBXPY-RUZDIDTESA-N 1 2 516.985 5.965 1 0 KKAFLO C[NH+]1CCN(C(=O)c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1 ZINC000096937293 562804141 /nfs/dbraw/zinc/80/41/41/562804141.db2.gz NYGBDKPPQUPSIG-UHFFFAOYSA-N 1 2 572.040 6.393 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2\C(=O)N(CCCC)C(=O)N2C(c2ccccc2)c2ccccc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000100716000 562807243 /nfs/dbraw/zinc/80/72/43/562807243.db2.gz AFEZFXAMXLGUTD-TZHWMEPESA-N 1 2 604.751 7.255 1 0 KKAFLO COc1cc2[nH+]cc(C(=O)NC3CC(C)(C)N(O)C(C)(C)C3)c(Nc3cccc(Br)c3)c2cc1OC ZINC000101468770 562810890 /nfs/dbraw/zinc/81/08/90/562810890.db2.gz BCURFDAGXNHOAX-UHFFFAOYSA-N 1 2 556.481 5.855 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2cccc(Br)c2)nc(NC[NH+]2CCCCC2)n1 ZINC000103168751 562814719 /nfs/dbraw/zinc/81/47/19/562814719.db2.gz KMFMBFDLEYPODZ-UHFFFAOYSA-N 1 2 570.285 6.297 1 0 KKAFLO O=S(=O)(Nc1cccc(CNc2[nH+]cnc3c2cnn3CCc2ccccc2)c1)c1ccc(Br)cc1 ZINC000103253392 562820539 /nfs/dbraw/zinc/82/05/39/562820539.db2.gz CFNZCXVUFFRRIQ-UHFFFAOYSA-N 1 2 563.481 5.244 1 0 KKAFLO O=C(Nc1ccc(Br)cc1)Nc1cccc(CNc2[nH+]cnc3c2cnn3CCc2ccccc2)c1 ZINC000103253445 562820541 /nfs/dbraw/zinc/82/05/41/562820541.db2.gz ZLIDREACDLOGNW-UHFFFAOYSA-N 1 2 542.441 6.088 1 0 KKAFLO O=C(Nc1nsc(-c2ccccc2)n1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253792 562820566 /nfs/dbraw/zinc/82/05/66/562820566.db2.gz OPFBFRMTRJVQAP-UHFFFAOYSA-N 1 2 527.694 5.593 1 0 KKAFLO O=C(Nc1nc(-c2ccccc2)c(F)s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000103253799 562820579 /nfs/dbraw/zinc/82/05/79/562820579.db2.gz CDWCDBKFXMNEJD-UHFFFAOYSA-N 1 2 544.696 6.338 1 0 KKAFLO CCCNc1nc(Nc2ccccc2)nc(OCCCCCNc2nc(Nc3ccccc3)nc(NCCC)[nH+]2)n1 ZINC000103255182 562820717 /nfs/dbraw/zinc/82/07/17/562820717.db2.gz RIPUGFPNIKQCSI-UHFFFAOYSA-N 1 2 557.707 5.849 1 0 KKAFLO CCCCCNc1nc(Nc2ccccc2)nc(OCCCCNc2nc(Nc3ccccc3)nc(NCCCCC)[nH+]2)n1 ZINC000103256032 562820767 /nfs/dbraw/zinc/82/07/67/562820767.db2.gz GUZIUXGXGMUUDJ-UHFFFAOYSA-N 1 2 599.788 7.019 1 0 KKAFLO O=C(c1cnccc1C(F)(F)F)N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000103261433 562821363 /nfs/dbraw/zinc/82/13/63/562821363.db2.gz KHFLLJBGWYJVAO-GDLZYMKVSA-N 1 2 620.594 5.517 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc(NCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103273232 562823124 /nfs/dbraw/zinc/82/31/24/562823124.db2.gz JOMUSSLDRWWFCZ-HHHXNRCGSA-N 1 2 568.168 5.416 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc(NCCN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103273232 562823125 /nfs/dbraw/zinc/82/31/25/562823125.db2.gz JOMUSSLDRWWFCZ-HHHXNRCGSA-N 1 2 568.168 5.416 1 0 KKAFLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCC[NH+]3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000103277719 562823299 /nfs/dbraw/zinc/82/32/99/562823299.db2.gz CGYZOJKMNXPMCK-SSEXGKCCSA-N 1 2 591.181 5.367 1 0 KKAFLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCCN3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000103277719 562823300 /nfs/dbraw/zinc/82/33/00/562823300.db2.gz CGYZOJKMNXPMCK-SSEXGKCCSA-N 1 2 591.181 5.367 1 0 KKAFLO C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(Cl)c(O)c(Cl)c4)cc32)cc1 ZINC000114036238 562827018 /nfs/dbraw/zinc/82/70/18/562827018.db2.gz QLMMOGLDRJECDV-UHFFFAOYSA-N 1 2 524.423 7.451 1 0 KKAFLO C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3cc(F)c(-c4cc(Cl)c(O)c(Cl)c4)cc32)cc1 ZINC000114035284 562827021 /nfs/dbraw/zinc/82/70/21/562827021.db2.gz KZPPDCBULCMLEC-UHFFFAOYSA-N 1 2 524.423 7.451 1 0 KKAFLO C[N@@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114037602 562827140 /nfs/dbraw/zinc/82/71/40/562827140.db2.gz DYGYGRPOZXQEEJ-FQEVSTJZSA-N 1 2 536.463 6.714 1 0 KKAFLO C[N@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114037602 562827141 /nfs/dbraw/zinc/82/71/41/562827141.db2.gz DYGYGRPOZXQEEJ-FQEVSTJZSA-N 1 2 536.463 6.714 1 0 KKAFLO O=S(=O)(Nc1ccc(F)c([C@@H](O)c2c[nH]c3nc[nH+]c(C4CC4)c23)c1F)c1ccc(C(F)(F)F)cc1 ZINC000115198700 562828801 /nfs/dbraw/zinc/82/88/01/562828801.db2.gz JNWUATNSUZNUDD-NRFANRHFSA-N 1 2 524.471 5.015 1 0 KKAFLO O=S(=O)(Nc1ccc(F)c([C@H](O)c2c[nH]c3nc[nH+]c(C4CC4)c23)c1F)c1ccc(C(F)(F)F)cc1 ZINC000115198702 562828820 /nfs/dbraw/zinc/82/88/20/562828820.db2.gz JNWUATNSUZNUDD-OAQYLSRUSA-N 1 2 524.471 5.015 1 0 KKAFLO CS(=O)(=O)C[C@H]([NH3+])c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115937304 562829066 /nfs/dbraw/zinc/82/90/66/562829066.db2.gz RENFOOCUNGUUHO-QHCPKHFHSA-N 1 2 567.042 6.049 1 0 KKAFLO Brc1c2[nH]c(Nc3ccccc3)[nH+]c2c(Br)c(Br)c1Br ZINC000117199851 562829751 /nfs/dbraw/zinc/82/97/51/562829751.db2.gz YXPBKZLCNPRFPV-UHFFFAOYSA-N 1 2 524.836 6.357 1 0 KKAFLO Cc1c(-c2ccc3c(ccn3C)c2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118091042 562830094 /nfs/dbraw/zinc/83/00/94/562830094.db2.gz XQWIUPQRLNJTAM-UHFFFAOYSA-N 1 2 539.630 6.641 1 0 KKAFLO Cc1c(Nc2ccccn2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093265 562830139 /nfs/dbraw/zinc/83/01/39/562830139.db2.gz PWOKBDKUHUUMNG-UHFFFAOYSA-N 1 2 502.569 5.621 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3cc[nH+]cc3N)c3ccccc23)cc1 ZINC000118830292 562830781 /nfs/dbraw/zinc/83/07/81/562830781.db2.gz CTLVZTMBHKZFIR-UHFFFAOYSA-N 1 2 534.664 6.874 1 0 KKAFLO O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4nc(NC5CCC5)ncc4C(F)(F)F)ccn32)c1 ZINC000139647931 562832709 /nfs/dbraw/zinc/83/27/09/562832709.db2.gz YJYJDSRZGYIKIY-UHFFFAOYSA-N 1 2 549.479 6.125 1 0 KKAFLO Nc1ccccc1Nc1[nH]c2c([nH+]1)c(Br)c(Br)c(Br)c2Br ZINC000143604742 562835201 /nfs/dbraw/zinc/83/52/01/562835201.db2.gz TXUOCHROWQRBJT-UHFFFAOYSA-N 1 2 539.851 5.939 1 0 KKAFLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)nc3)ncc2C1 ZINC000146222328 562838375 /nfs/dbraw/zinc/83/83/75/562838375.db2.gz NNMZLFIDOZESFR-UHFFFAOYSA-N 1 2 630.675 5.145 1 0 KKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147662492 562839463 /nfs/dbraw/zinc/83/94/63/562839463.db2.gz MYYGEJVPSZKSFV-CCDWMCETSA-N 1 2 525.774 7.769 1 0 KKAFLO COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C[C@@H](C(F)(F)F)C1 ZINC000147821903 562839739 /nfs/dbraw/zinc/83/97/39/562839739.db2.gz XPMXTVNPOHZJTA-WOJBJXKFSA-N 1 2 566.559 5.208 1 0 KKAFLO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(-n5c[nH+]c(C)c5)nc43)c2)cc1C(F)(F)F ZINC000148348585 562841093 /nfs/dbraw/zinc/84/10/93/562841093.db2.gz LGDFJQHITPQIMH-UHFFFAOYSA-N 1 2 534.502 5.246 1 0 KKAFLO O=C([O-])c1cccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)cc[nH+]4)C3)CC2)c1 ZINC000150244715 562843033 /nfs/dbraw/zinc/84/30/33/562843033.db2.gz XOJWWWPYXBYXLV-SQVWVRBWSA-N 1 2 582.667 5.417 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3c(cncc3Cl)s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363968 562843349 /nfs/dbraw/zinc/84/33/49/562843349.db2.gz IRJJBDYCMMABGP-MJUSNMNVSA-N 1 2 875.798 6.379 1 0 KKAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2cc3c(cncc3Cl)s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363968 562843350 /nfs/dbraw/zinc/84/33/50/562843350.db2.gz IRJJBDYCMMABGP-MJUSNMNVSA-N 1 2 875.798 6.379 1 0 KKAFLO O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000150524439 562843701 /nfs/dbraw/zinc/84/37/01/562843701.db2.gz QUYDGFKEUNESQI-MHZLTWQESA-N 1 2 642.622 5.070 1 0 KKAFLO O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)o1 ZINC000150587902 562845947 /nfs/dbraw/zinc/84/59/47/562845947.db2.gz MXRJOIUHKRRDJE-UUWRZZSWSA-N 1 2 753.244 8.085 1 0 KKAFLO c1ccc(Nc2nc(OCCCCNc3nc(Nc4ccccc4)nc(N4CCc5ccccc5C4)[nH+]3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000150600206 562847106 /nfs/dbraw/zinc/84/71/06/562847106.db2.gz TWAWFUNCXSADHB-UHFFFAOYSA-N 1 2 691.844 6.940 1 0 KKAFLO CCCOc1ccc(-c2cc([C@H](C(=O)OCCOCCO)n3cc4nc(-c5cccc(F)c5F)nc-4c[nH+]3)on2)c(C(F)(F)F)c1 ZINC000150606410 562847960 /nfs/dbraw/zinc/84/79/60/562847960.db2.gz BWTYSDDDRNNKFV-HHHXNRCGSA-N 1 2 647.557 5.327 1 0 KKAFLO COc1ccccc1N1CC[NH+](CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327753 562858145 /nfs/dbraw/zinc/85/81/45/562858145.db2.gz WJFLJWNZAPQFEZ-UHFFFAOYSA-N 1 2 652.821 5.176 1 0 KKAFLO CCC(=O)Nc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000169335985 562859742 /nfs/dbraw/zinc/85/97/42/562859742.db2.gz MTZXACFSSRTFNH-UHFFFAOYSA-N 1 2 584.721 6.027 1 0 KKAFLO O[C@H](C[NH+]1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169338205 562860243 /nfs/dbraw/zinc/86/02/43/562860243.db2.gz LJJMZDAQMOMZAA-AREMUKBSSA-N 1 2 508.836 7.660 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000169339719 562860434 /nfs/dbraw/zinc/86/04/34/562860434.db2.gz KEQPXOAXBHXISN-PMERELPUSA-N 1 2 604.201 6.115 1 0 KKAFLO CCCCNC(=S)NS(=O)(=O)c1ccc(N2[NH+]=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000169339740 562860489 /nfs/dbraw/zinc/86/04/89/562860489.db2.gz SKNKVFCMMYRYOQ-NDEPHWFRSA-N 1 2 565.765 5.070 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccoc3)c2)cc1F ZINC000169344649 562861457 /nfs/dbraw/zinc/86/14/57/562861457.db2.gz PDVPMUDAAPKQBR-UHFFFAOYSA-N 1 2 633.698 6.337 1 0 KKAFLO O=C(CCN1CCOCC1)O[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](OC(=O)CC[NH+]3CCOCC3)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698224 562867050 /nfs/dbraw/zinc/86/70/50/562867050.db2.gz FBGOFGHVFTXEHV-HEVIKAOCSA-N 1 2 875.858 5.152 1 0 KKAFLO CC(C)[C@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700919 562867770 /nfs/dbraw/zinc/86/77/70/562867770.db2.gz LITDEKLGONYLMN-DEOSSOPVSA-N 1 2 677.546 7.448 1 0 KKAFLO Cc1nc2c(s1)CN(c1cc3c(cc1C(=O)NCC(F)(F)F)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n3C)C2 ZINC000169700899 562867772 /nfs/dbraw/zinc/86/77/72/562867772.db2.gz XOMSXDALWRKKRE-UHFFFAOYSA-N 1 2 668.573 6.863 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NCc3ncccc3C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700911 562867821 /nfs/dbraw/zinc/86/78/21/562867821.db2.gz YDGLALKCZZYJTO-UHFFFAOYSA-N 1 2 712.551 7.475 1 0 KKAFLO Cn1c2cc(N3CCN[C@H](C(F)(F)F)C3)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701007 562867827 /nfs/dbraw/zinc/86/78/27/562867827.db2.gz SYJXGDRKYGHRHK-VWLOTQADSA-N 1 2 744.568 7.898 1 0 KKAFLO Cn1c2cc(N3CCC(O)(C(F)(F)F)CC3)c(C(=O)NC3CCC(C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700954 562867859 /nfs/dbraw/zinc/86/78/59/562867859.db2.gz TYHJHGDMNHNNFB-UHFFFAOYSA-N 1 2 765.627 8.031 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCOCC3)cc21 ZINC000169701022 562867910 /nfs/dbraw/zinc/86/79/10/562867910.db2.gz QTBRYQCJODSUPM-UHFFFAOYSA-N 1 2 693.554 7.274 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3cccc(C(F)(F)F)n3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169701063 562867927 /nfs/dbraw/zinc/86/79/27/562867927.db2.gz HVDSKDUGSIRXCQ-QGZVFWFLSA-N 1 2 680.534 7.500 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703065 562868542 /nfs/dbraw/zinc/86/85/42/562868542.db2.gz OYOLZSBUDJURME-UHFFFAOYSA-N 1 2 626.410 6.584 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NC[C@@H]3CCCO3)c(OCC(F)F)cc21 ZINC000169703089 562868591 /nfs/dbraw/zinc/86/85/91/562868591.db2.gz TVXHMXGONROKCX-INIZCTEOSA-N 1 2 612.505 5.839 1 0 KKAFLO CCC(C)(C)C1C[C@H]2C(=O)[C@@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)[NH2+][C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520678 562872165 /nfs/dbraw/zinc/87/21/65/562872165.db2.gz ZAGQLKHZJYWEAS-NVURUTONSA-N 1 2 541.685 5.772 1 0 KKAFLO Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000198456849 562872733 /nfs/dbraw/zinc/87/27/33/562872733.db2.gz JWMVVKIBOQCNKQ-UHFFFAOYSA-N 1 2 523.521 5.687 3 0 KKAFLO COC(=O)N[C@H](C(=O)N[C@@H](C)c1nc(-c2cc(F)c(N3CCC(c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH+]4)CC3)c(F)c2)c[nH]1)C(C)C ZINC000202700448 562873788 /nfs/dbraw/zinc/87/37/88/562873788.db2.gz RORCTOUKNHONSI-VYNBWZAHSA-N 1 2 755.868 5.064 1 0 KKAFLO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@@H]1CCCN(CC[NH+](C)C)C1 ZINC000203987261 562874244 /nfs/dbraw/zinc/87/42/44/562874244.db2.gz HBCSKPHEJXULQA-LJQANCHMSA-N 1 2 501.458 5.555 1 0 KKAFLO [NH3+][C@H]1CCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203986988 562874248 /nfs/dbraw/zinc/87/42/48/562874248.db2.gz ORPZYZRQNJRUSL-KRWDZBQOSA-N 1 2 535.435 5.578 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000205041680 562874848 /nfs/dbraw/zinc/87/48/48/562874848.db2.gz KVVIWBKJXTXHOH-LJQANCHMSA-N 1 2 515.614 5.382 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000205041680 562874849 /nfs/dbraw/zinc/87/48/49/562874849.db2.gz KVVIWBKJXTXHOH-LJQANCHMSA-N 1 2 515.614 5.382 1 0 KKAFLO CCN(c1cc(-c2ccc(C[NH2+]CC(F)F)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205340097 562875121 /nfs/dbraw/zinc/87/51/21/562875121.db2.gz YRINQRPSVQGHBP-UHFFFAOYSA-N 1 2 566.693 5.257 1 0 KKAFLO C[N@@H+]1CCC[C@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)nc1 ZINC000219357407 562878093 /nfs/dbraw/zinc/87/80/93/562878093.db2.gz USSOHUGRIRYOJH-VWLOTQADSA-N 1 2 533.459 7.412 1 0 KKAFLO C[N@H+]1CCC[C@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)nc1 ZINC000219357407 562878094 /nfs/dbraw/zinc/87/80/94/562878094.db2.gz USSOHUGRIRYOJH-VWLOTQADSA-N 1 2 533.459 7.412 1 0 KKAFLO C[N@@H+]1CCC[C@@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)nc1 ZINC000219357339 562878122 /nfs/dbraw/zinc/87/81/22/562878122.db2.gz USSOHUGRIRYOJH-RUZDIDTESA-N 1 2 533.459 7.412 1 0 KKAFLO C[N@H+]1CCC[C@@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)nc1 ZINC000219357339 562878123 /nfs/dbraw/zinc/87/81/23/562878123.db2.gz USSOHUGRIRYOJH-RUZDIDTESA-N 1 2 533.459 7.412 1 0 KKAFLO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(-n5c[nH+]c(C)c5)cc(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000222892246 562879959 /nfs/dbraw/zinc/87/99/59/562879959.db2.gz CQUJLYNODRHKKP-UHFFFAOYSA-N 1 2 546.553 6.451 1 0 KKAFLO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(-n5c[nH+]c(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222892246 562879960 /nfs/dbraw/zinc/87/99/60/562879960.db2.gz CQUJLYNODRHKKP-UHFFFAOYSA-N 1 2 546.553 6.451 1 0 KKAFLO CCOC(=O)c1sc2ccc(NCc3[nH]c[nH+]c3C)cc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000299857078 562892097 /nfs/dbraw/zinc/89/20/97/562892097.db2.gz CJOMVRHOJKUTFQ-UHFFFAOYSA-N 1 2 502.518 5.993 1 0 KKAFLO CC[C@@H]1SC2(CC[NH2+]CC2)N(CCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O ZINC000299860320 562892901 /nfs/dbraw/zinc/89/29/01/562892901.db2.gz JBIDDOUYYIZKIL-NDEPHWFRSA-N 1 2 603.716 5.243 1 0 KKAFLO COc1cc2c(cc1OCc1ccc3ccccc3n1)nncc2-c1c[nH+]c(N2CCC(O)(c3ccc(F)nc3)CC2)c(C)c1 ZINC000299871251 562895677 /nfs/dbraw/zinc/89/56/77/562895677.db2.gz YEUSUAAFMDJZEY-UHFFFAOYSA-N 1 2 602.670 6.158 1 0 KKAFLO C/C=C/[C@@H](O)[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000473115914 562899097 /nfs/dbraw/zinc/89/90/97/562899097.db2.gz VQUPFINQQWGWJI-KMANDWRCSA-N 1 2 706.921 6.147 1 0 KKAFLO COc1ccccc1C[N@H+](C)CCCOc1cccc(-c2cc(O)c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473116243 562899110 /nfs/dbraw/zinc/89/91/10/562899110.db2.gz VZMFKDNJVVZKID-UHFFFAOYSA-N 1 2 505.567 5.092 1 0 KKAFLO [NH3+][C@H]1CC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000473164931 562902831 /nfs/dbraw/zinc/90/28/31/562902831.db2.gz FZAOFDAYMNLVKE-KESTWPANSA-N 1 2 536.463 6.311 1 0 KKAFLO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)N(C)C)CC1 ZINC000473183000 562903508 /nfs/dbraw/zinc/90/35/08/562903508.db2.gz GXOHNXJKEOEPKA-RZDIXWSQSA-N 1 2 500.426 5.598 1 0 KKAFLO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3cc(C(F)(F)F)c(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473183156 562903566 /nfs/dbraw/zinc/90/35/66/562903566.db2.gz OWSODXICOGXEQP-RZDIXWSQSA-N 1 2 564.023 6.966 1 0 KKAFLO O=C([O-])C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215237 562903938 /nfs/dbraw/zinc/90/39/38/562903938.db2.gz CLHWZIKMCHBNFA-FDYHHLSLSA-N 1 2 504.719 6.175 1 0 KKAFLO O=C([O-])C[N@H+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215237 562903939 /nfs/dbraw/zinc/90/39/39/562903939.db2.gz CLHWZIKMCHBNFA-FDYHHLSLSA-N 1 2 504.719 6.175 1 0 KKAFLO O=C([O-])C[NH+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215237 562903940 /nfs/dbraw/zinc/90/39/40/562903940.db2.gz CLHWZIKMCHBNFA-FDYHHLSLSA-N 1 2 504.719 6.175 1 0 KKAFLO O=C([O-])C[NH+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215237 562903941 /nfs/dbraw/zinc/90/39/41/562903941.db2.gz CLHWZIKMCHBNFA-FDYHHLSLSA-N 1 2 504.719 6.175 1 0 KKAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c(O)cc4O)cc3)cc2)CC1 ZINC000653672887 562906183 /nfs/dbraw/zinc/90/61/83/562906183.db2.gz WDTTVXPLOSQFLL-UHFFFAOYSA-N 1 2 598.146 5.263 1 0 KKAFLO CC(=O)N1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6scc(C)c6c5)[nH+]c(C)n4)c3)cn2)CC1 ZINC000653678354 562906272 /nfs/dbraw/zinc/90/62/72/562906272.db2.gz LOZDBSBEDGIEIV-NRFANRHFSA-N 1 2 563.731 6.274 1 0 KKAFLO O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC000653742643 562910203 /nfs/dbraw/zinc/91/02/03/562910203.db2.gz GUGZIAOSXOELAU-IBGZPJMESA-N 1 2 521.586 5.254 1 0 KKAFLO CC1(C)C[C@@H](c2ccc(C(F)(F)F)cc2C2(F)C[NH2+]C2)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653742640 562910223 /nfs/dbraw/zinc/91/02/23/562910223.db2.gz FXSRKEVVPAPAOG-SFHVURJKSA-N 1 2 541.592 5.424 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)N[C@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653758333 562911103 /nfs/dbraw/zinc/91/11/03/562911103.db2.gz INTREKWVCPCQBT-SSEXGKCCSA-N 1 2 585.712 6.310 1 0 KKAFLO CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000653765579 562911640 /nfs/dbraw/zinc/91/16/40/562911640.db2.gz FIBJUGYQBXPYLB-RUZDIDTESA-N 1 2 571.414 5.008 1 0 KKAFLO Cc1ccc2[nH+]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3cccc(-c4ccc(F)cc4)c3)[nH]c2c1 ZINC000653783713 562912262 /nfs/dbraw/zinc/91/22/62/562912262.db2.gz LKALTXCRGLVBNB-UIOOFZCWSA-N 1 2 530.600 5.934 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)nc1 ZINC000653794460 562912921 /nfs/dbraw/zinc/91/29/21/562912921.db2.gz WSGHBFNYLRGHOG-UHFFFAOYSA-N 1 2 582.558 5.713 1 0 KKAFLO O=C(c1coc2ccccc2c1=O)N1CC[NH+](Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1 ZINC000653802212 562913521 /nfs/dbraw/zinc/91/35/21/562913521.db2.gz PQRRVJMNTHVPPC-UHFFFAOYSA-N 1 2 531.534 5.714 1 0 KKAFLO O=C(Nc1ccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)cc1)Nc1cccc(Cl)c1 ZINC000653826063 562914413 /nfs/dbraw/zinc/91/44/13/562914413.db2.gz DRQYDWOFZJIKHS-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1)Nc1cccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)c1 ZINC000653826067 562914435 /nfs/dbraw/zinc/91/44/35/562914435.db2.gz FSRXTKNJGXAKBL-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1)Nc1ccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)cc1 ZINC000653826092 562914443 /nfs/dbraw/zinc/91/44/43/562914443.db2.gz NSSIZWVEJDHEHS-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO O=C(Nc1ccc(CNc2nc3ccc(OCC[NH+]4CCOCC4)cc3o2)cc1)Nc1ccc(Cl)cc1Cl ZINC000653827899 562914470 /nfs/dbraw/zinc/91/44/70/562914470.db2.gz DYRKYYAYQSPMOS-UHFFFAOYSA-N 1 2 556.450 6.102 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000001490564 561676302 /nfs/dbraw/zinc/67/63/02/561676302.db2.gz BXOKIJAEZHPQKJ-MHZLTWQESA-N 1 2 519.670 6.184 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000001490564 561676304 /nfs/dbraw/zinc/67/63/04/561676304.db2.gz BXOKIJAEZHPQKJ-MHZLTWQESA-N 1 2 519.670 6.184 1 0 KKAFLO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(OCC(F)(F)F)ccc2[nH+]1 ZINC000001492998 561676402 /nfs/dbraw/zinc/67/64/02/561676402.db2.gz RCLGGIAMMVTFHF-UHFFFAOYSA-N 1 2 505.500 6.164 1 0 KKAFLO CC(C)c1[nH+]c2ccccc2n1CCCCCSc1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1 ZINC000001538156 561676943 /nfs/dbraw/zinc/67/69/43/561676943.db2.gz WKISACLMQHMLCD-UHFFFAOYSA-N 1 2 566.819 8.311 1 0 KKAFLO S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000003937426 561688767 /nfs/dbraw/zinc/68/87/67/561688767.db2.gz MAYDDJZDEDNDPY-UHFFFAOYSA-N 1 2 568.372 5.635 1 0 KKAFLO S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000003937426 561688769 /nfs/dbraw/zinc/68/87/69/561688769.db2.gz MAYDDJZDEDNDPY-UHFFFAOYSA-N 1 2 568.372 5.635 1 0 KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCCCN3CC(C)C)cc1 ZINC000003948513 561690166 /nfs/dbraw/zinc/69/01/66/561690166.db2.gz WQPGTNCTYYTOEZ-XMJKBRHQSA-N 1 2 710.985 9.132 1 0 KKAFLO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5[nH]c6ccc(C)cc6[nH+]5)[C@@]4(C)CC[C@@H]32)C1 ZINC000005542957 561696338 /nfs/dbraw/zinc/69/63/38/561696338.db2.gz JRIXXSPBRNQPKM-GUSMEPIDSA-N 1 2 504.759 8.031 1 0 KKAFLO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5[nH]c6cc(C)ccc6[nH+]5)[C@@]4(C)CC[C@@H]32)C1 ZINC000005542957 561696340 /nfs/dbraw/zinc/69/63/40/561696340.db2.gz JRIXXSPBRNQPKM-GUSMEPIDSA-N 1 2 504.759 8.031 1 0 KKAFLO CN(c1ccccc1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000013487913 561715335 /nfs/dbraw/zinc/71/53/35/561715335.db2.gz CDQYZMDHFPVYTD-JOCHJYFZSA-N 1 2 513.491 6.060 1 0 KKAFLO Cn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2 ZINC000013489485 561715896 /nfs/dbraw/zinc/71/58/96/561715896.db2.gz JJQTVXNPRRSENU-NDEPHWFRSA-N 1 2 502.401 5.549 1 0 KKAFLO COc1cc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545842 561756109 /nfs/dbraw/zinc/75/61/09/561756109.db2.gz CVEWLSOQFGTQPI-UIOOFZCWSA-N 1 2 620.743 5.091 3 0 KKAFLO COc1cc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545839 561756195 /nfs/dbraw/zinc/75/61/95/561756195.db2.gz CVEWLSOQFGTQPI-FTJBHMTQSA-N 1 2 620.743 5.091 3 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@H]3C(SC)=CC(C)(C)C[C@@H]3S1)N(Cc1ccccc1)CC[N@@H+]2Cc1ccccc1 ZINC000019320931 561758354 /nfs/dbraw/zinc/75/83/54/561758354.db2.gz HFNMXHLBLCDVMK-UIOOFZCWSA-N 1 2 578.800 5.709 1 0 KKAFLO COC(=O)C1=C(C(=O)OC)C2([C@H]3C(SC)=CC(C)(C)C[C@@H]3S1)N(Cc1ccccc1)CC[N@H+]2Cc1ccccc1 ZINC000019320931 561758355 /nfs/dbraw/zinc/75/83/55/561758355.db2.gz HFNMXHLBLCDVMK-UIOOFZCWSA-N 1 2 578.800 5.709 1 0 KKAFLO Ic1cccc(/C=C/C[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019366767 561758559 /nfs/dbraw/zinc/75/85/59/561758559.db2.gz KNGIMKGSUWBSIZ-CSKARUKUSA-N 1 2 538.473 5.728 1 0 KKAFLO O=C(NC12CC3CC(CC(C3)C1)C2)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022594930 561759341 /nfs/dbraw/zinc/75/93/41/561759341.db2.gz SAUHQIZTUCMCNU-UHFFFAOYSA-N 1 2 614.778 7.011 1 0 KKAFLO COc1cc(OC2CC[NH+](Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026282646 561779304 /nfs/dbraw/zinc/77/93/04/561779304.db2.gz KIZXSCWJJPXJMB-UHFFFAOYSA-N 1 2 640.659 5.152 1 0 KKAFLO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC(CC5)C4)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576936 561800845 /nfs/dbraw/zinc/80/08/45/561800845.db2.gz QKZVPPUMIROILW-UOCXPQTGSA-N 1 2 604.883 8.489 1 0 KKAFLO COC(=O)C1=C(c2ccc(-n3cc[nH+]c3)cc2)NC(C)=C(C(=O)Nc2nccs2)[C@H]1c1ccccc1Cl ZINC000026833741 561823533 /nfs/dbraw/zinc/82/35/33/561823533.db2.gz VSWONGHXBAKJFL-JOCHJYFZSA-N 1 2 532.025 5.166 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@H](c2ccccc2Cl)C1C(=O)OCc1ccccc1 ZINC000026839467 561825330 /nfs/dbraw/zinc/82/53/30/561825330.db2.gz AEBKEJCCPUJAQJ-GDICORKRSA-N 1 2 619.121 7.901 1 0 KKAFLO C[S@@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3cc[nH+]c(NCc4ccccc4)c3)[nH]2)cc1 ZINC000026970896 561830269 /nfs/dbraw/zinc/83/02/69/561830269.db2.gz KVXOCOUVUJHXOI-QNGWXLTQSA-N 1 2 528.678 6.920 1 0 KKAFLO C[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026976361 561830931 /nfs/dbraw/zinc/83/09/31/561830931.db2.gz KLNREZJWLLCYLH-IVUOSGLUSA-N 1 2 659.787 5.775 1 0 KKAFLO C[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026976361 561830934 /nfs/dbraw/zinc/83/09/34/561830934.db2.gz KLNREZJWLLCYLH-IVUOSGLUSA-N 1 2 659.787 5.775 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026998125 561833671 /nfs/dbraw/zinc/83/36/71/561833671.db2.gz SJZGJLYNRZRTHV-UTEVTPAPSA-N 1 2 693.914 6.136 1 0 KKAFLO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026998125 561833673 /nfs/dbraw/zinc/83/36/73/561833673.db2.gz SJZGJLYNRZRTHV-UTEVTPAPSA-N 1 2 693.914 6.136 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCc2ccsc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027211521 561847297 /nfs/dbraw/zinc/84/72/97/561847297.db2.gz HTJGALGADDWWDT-ITYLOYPMSA-N 1 2 548.709 5.770 1 0 KKAFLO O=C(/C=C/c1ccc(Sc2ccccc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1)N1CCOCC1 ZINC000027327387 561853956 /nfs/dbraw/zinc/85/39/56/561853956.db2.gz PODGAZYUFOSBKT-JXMROGBWSA-N 1 2 592.161 5.410 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027329981 561854675 /nfs/dbraw/zinc/85/46/75/561854675.db2.gz SSNZLMDDZDHMEB-UHFFFAOYSA-N 1 2 514.455 5.050 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2C)cc1-c1ccccc1 ZINC000027517643 561861412 /nfs/dbraw/zinc/86/14/12/561861412.db2.gz ZJQRHLUFTWZZPL-LJAQVGFWSA-N 1 2 542.705 5.543 1 0 KKAFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2cccc(Cl)c2)cc1-c1ccccc1 ZINC000027517856 561861598 /nfs/dbraw/zinc/86/15/98/561861598.db2.gz ZPOKBIVQUXYIKG-NDEPHWFRSA-N 1 2 563.123 5.888 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027632895 561874000 /nfs/dbraw/zinc/87/40/00/561874000.db2.gz WYFVTNOCGBZVTN-XIEYBQDHSA-N 1 2 648.233 5.077 1 0 KKAFLO CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)[nH+]c(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000027632895 561874001 /nfs/dbraw/zinc/87/40/01/561874001.db2.gz WYFVTNOCGBZVTN-XIEYBQDHSA-N 1 2 648.233 5.077 1 0 KKAFLO CC(C)(C)N(Cc1ccccc1)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1 ZINC000027848034 561885732 /nfs/dbraw/zinc/88/57/32/561885732.db2.gz KBIOBBAHXDKGCO-RUZDIDTESA-N 1 2 569.599 7.098 1 0 KKAFLO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000027856998 561886668 /nfs/dbraw/zinc/88/66/68/561886668.db2.gz KQMGYOWNUFZGRP-JGCGQSQUSA-N 1 2 615.778 5.369 1 0 KKAFLO CCN(c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)c[nH+]1)[C@H](C)c1ccccc1 ZINC000027858956 561886894 /nfs/dbraw/zinc/88/68/94/561886894.db2.gz UOMMLBNRUZMIFB-NLFFAJNJSA-N 1 2 555.572 6.880 1 0 KKAFLO COc1ccccc1CN(C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(C)=O ZINC000027864713 561887559 /nfs/dbraw/zinc/88/75/59/561887559.db2.gz PDJRNVXFLCXTET-MUUNZHRXSA-N 1 2 569.533 5.030 1 0 KKAFLO CCOC(=O)CCCC/C=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027878366 561888934 /nfs/dbraw/zinc/88/89/34/561888934.db2.gz YAFPSVKRAMYDBE-TUYTUYLVSA-N 1 2 705.328 8.711 1 0 KKAFLO CCOC(=O)CCCC/C=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027878366 561888935 /nfs/dbraw/zinc/88/89/35/561888935.db2.gz YAFPSVKRAMYDBE-TUYTUYLVSA-N 1 2 705.328 8.711 1 0 KKAFLO COc1c(C(=O)NCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Br)c2ccccc21 ZINC000027977441 561891356 /nfs/dbraw/zinc/89/13/56/561891356.db2.gz PJBTVIXTPXKPPS-UHFFFAOYSA-N 1 2 536.392 5.182 1 0 KKAFLO C[NH2+]CCNc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1 ZINC000027983100 561891952 /nfs/dbraw/zinc/89/19/52/561891952.db2.gz DMALCJGUOHYOMN-UHFFFAOYSA-N 1 2 702.632 5.017 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000028262071 561912308 /nfs/dbraw/zinc/91/23/08/561912308.db2.gz VLXRNLZSLXEOEA-UHFFFAOYSA-N 1 2 525.867 6.407 1 0 KKAFLO C[C@H](c1nc2ccccc2c(=O)n1N1CC[NH+](C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccc(OCC2CC2)cc1OCC1CC1 ZINC000028391193 561922188 /nfs/dbraw/zinc/92/21/88/561922188.db2.gz XYIBSLIRPZZEBK-XMMPIXPASA-N 1 2 640.760 5.796 1 0 KKAFLO COc1ccc(-c2cc(SC)n(-c3nc(NC4CCCCC4)[nH+]c(NC4CCCCC4)n3)n2)cc1OC ZINC000028528066 561932772 /nfs/dbraw/zinc/93/27/72/561932772.db2.gz LOSUDVJGNDZCQI-UHFFFAOYSA-N 1 2 523.707 5.953 1 0 KKAFLO CCCCO[C@H]1Sc2ccc([C@@H](Cn3cc[nH+]c3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530612 561934902 /nfs/dbraw/zinc/93/49/02/561934902.db2.gz YWSXPTSTTCVWOH-BWKNWUBXSA-N 1 2 500.020 5.346 1 0 KKAFLO Cc1cc(NCCCn2cc[nH+]c2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 ZINC000028566997 561936618 /nfs/dbraw/zinc/93/66/18/561936618.db2.gz UALQHMCHAKBUJT-UHFFFAOYSA-N 1 2 538.982 5.874 1 0 KKAFLO CS(=O)(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702830 561947336 /nfs/dbraw/zinc/94/73/36/561947336.db2.gz LABJUYGFTREJOE-HSZRJFAPSA-N 1 2 648.695 6.222 1 0 KKAFLO CCCCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713056 561953723 /nfs/dbraw/zinc/95/37/23/561953723.db2.gz FLHUTUOLOLOHRY-YTTGMZPUSA-N 1 2 592.666 5.000 1 0 KKAFLO O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c([nH+]1)NCCC2 ZINC000028887163 561977716 /nfs/dbraw/zinc/97/77/16/561977716.db2.gz MXIMMNXBBQDKPX-UHFFFAOYSA-N 1 2 598.578 7.824 1 0 KKAFLO Nc1ccccc1NC(=O)c1ccc([C@H](C(=O)Nc2ccc3ccccc3c2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000028976592 561987005 /nfs/dbraw/zinc/98/70/05/561987005.db2.gz WPBSNVTXKCFCIY-MGBGTMOVSA-N 1 2 555.682 6.176 1 0 KKAFLO C[NH+]1CCN(C(=O)N([C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000029126075 561998390 /nfs/dbraw/zinc/99/83/90/561998390.db2.gz KKYKUPVNNDIIKV-WJOKGBTCSA-N 1 2 713.253 5.257 1 0 KKAFLO CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000029128665 562001161 /nfs/dbraw/zinc/00/11/61/562001161.db2.gz IIRCDQURVMVUTA-IOWSJCHKSA-N 1 2 625.807 5.385 1 0 KKAFLO O=C1CN(Cc2c[nH+]cn2Cc2cccc(Oc3ccccc3)c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000029215724 562006451 /nfs/dbraw/zinc/00/64/51/562006451.db2.gz HBYRYAHMXSFRDA-UHFFFAOYSA-N 1 2 506.528 5.591 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C(=O)NCc1ccccc1)N(Cc1c[nH+]cn1C)S(=O)(=O)c1ccccc1 ZINC000029229690 562009154 /nfs/dbraw/zinc/00/91/54/562009154.db2.gz IZMHOHCXLPWBGG-BDWXGOQMSA-N 1 2 602.845 7.105 1 0 KKAFLO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@@H]([NH3+])Cc2ccccc2)c1=O ZINC000029235476 562009630 /nfs/dbraw/zinc/00/96/30/562009630.db2.gz RIFWCGCOPPCCHA-SANMLTNESA-N 1 2 549.454 5.805 1 0 KKAFLO O=C(OCc1ccccc1)C(CCCCn1c[nH+]c2c1NC=NC[C@@H]2O)(Cc1ccccc1C(F)(F)F)C(=O)OCc1ccccc1 ZINC000029317623 562012610 /nfs/dbraw/zinc/01/26/10/562012610.db2.gz LEOPXRJBSSRVGZ-LJAQVGFWSA-N 1 2 648.682 6.275 1 0 KKAFLO CCCN1c2ccccc2C(C2CCCCC2)=N[C@H](NC(=O)Nc2ccc(N3CCN(c4cccc[nH+]4)CC3)cc2)C1=O ZINC000029482226 562027518 /nfs/dbraw/zinc/02/75/18/562027518.db2.gz ZRAARRPFSVHSME-JGCGQSQUSA-N 1 2 579.749 5.682 1 0 KKAFLO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3c(Cl)cccc3Cl)CC2)c2ccccc21 ZINC000029544898 562029435 /nfs/dbraw/zinc/02/94/35/562029435.db2.gz KMZGWQBSAMFWQD-MHZLTWQESA-N 1 2 602.584 5.008 1 0 KKAFLO O=c1c(-c2ccccc2)c(SCC[NH+]2CCOCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000031901414 562036715 /nfs/dbraw/zinc/03/67/15/562036715.db2.gz DXCUDBDYGIVXCN-UHFFFAOYSA-N 1 2 501.677 5.449 1 0 KKAFLO COc1ccc2c(c1)c(C1=C(Cl)C[N@H+](C)C1)cn2S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000034534470 562038988 /nfs/dbraw/zinc/03/89/88/562038988.db2.gz WMLRFZVCRBCIHB-UHFFFAOYSA-N 1 2 506.238 5.742 1 0 KKAFLO COc1ccc2c(c1)c(C1=C(Cl)C[N@@H+](C)C1)cn2S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000034534470 562038989 /nfs/dbraw/zinc/03/89/89/562038989.db2.gz WMLRFZVCRBCIHB-UHFFFAOYSA-N 1 2 506.238 5.742 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000036222424 562051660 /nfs/dbraw/zinc/05/16/60/562051660.db2.gz QWDAOLJZTCHRAW-ITYLOYPMSA-N 1 2 514.626 5.420 1 0 KKAFLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324233 562055315 /nfs/dbraw/zinc/05/53/15/562055315.db2.gz BZPPUKJKOJHWKN-XJABCFGWSA-N 1 2 528.497 5.759 1 0 KKAFLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324233 562055317 /nfs/dbraw/zinc/05/53/17/562055317.db2.gz BZPPUKJKOJHWKN-XJABCFGWSA-N 1 2 528.497 5.759 1 0 KKAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000036330416 562055781 /nfs/dbraw/zinc/05/57/81/562055781.db2.gz IOTNSECWYWCDGM-HHHXNRCGSA-N 1 2 517.427 5.569 1 0 KKAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccc(Oc2ccccc2)cc1 ZINC000036330426 562055816 /nfs/dbraw/zinc/05/58/16/562055816.db2.gz SWLCOFSBLYLWEQ-MGBGTMOVSA-N 1 2 530.628 6.599 1 0 KKAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccc(Oc2ccccc2)cc1 ZINC000036330425 562055832 /nfs/dbraw/zinc/05/58/32/562055832.db2.gz SWLCOFSBLYLWEQ-XIFFEERXSA-N 1 2 530.628 6.599 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5Cl)s4)n[nH]c2-3)CC1 ZINC000036338836 562057268 /nfs/dbraw/zinc/05/72/68/562057268.db2.gz UQFZISWYRJDTJJ-UHFFFAOYSA-N 1 2 533.101 5.432 1 0 KKAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5Cl)s4)n[nH]c2-3)CC1 ZINC000036338836 562057270 /nfs/dbraw/zinc/05/72/70/562057270.db2.gz UQFZISWYRJDTJJ-UHFFFAOYSA-N 1 2 533.101 5.432 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3ccccc3Cl)s2)CC1 ZINC000036338836 562057271 /nfs/dbraw/zinc/05/72/71/562057271.db2.gz UQFZISWYRJDTJJ-UHFFFAOYSA-N 1 2 533.101 5.432 1 0 KKAFLO CON(Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338823 562057379 /nfs/dbraw/zinc/05/73/79/562057379.db2.gz CXFVPKALCDVPST-UHFFFAOYSA-N 1 2 542.709 5.361 1 0 KKAFLO CON(Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338823 562057380 /nfs/dbraw/zinc/05/73/80/562057380.db2.gz CXFVPKALCDVPST-UHFFFAOYSA-N 1 2 542.709 5.361 1 0 KKAFLO CON(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cccc(C)c1 ZINC000036338823 562057381 /nfs/dbraw/zinc/05/73/81/562057381.db2.gz CXFVPKALCDVPST-UHFFFAOYSA-N 1 2 542.709 5.361 1 0 KKAFLO CN(Cc1ccc(-c2[nH]nc3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000036338854 562057471 /nfs/dbraw/zinc/05/74/71/562057471.db2.gz QDCNUYNTRDKBDB-UHFFFAOYSA-N 1 2 596.679 6.019 1 0 KKAFLO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(C[NH+]4CCN(C)CC4)cc2-3)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000036338854 562057473 /nfs/dbraw/zinc/05/74/73/562057473.db2.gz QDCNUYNTRDKBDB-UHFFFAOYSA-N 1 2 596.679 6.019 1 0 KKAFLO Cc1cccc(NC(=O)OCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338874 562057542 /nfs/dbraw/zinc/05/75/42/562057542.db2.gz LYHXXYZDGNTNCQ-UHFFFAOYSA-N 1 2 513.667 5.514 1 0 KKAFLO Cc1cccc(NC(=O)OCc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338874 562057544 /nfs/dbraw/zinc/05/75/44/562057544.db2.gz LYHXXYZDGNTNCQ-UHFFFAOYSA-N 1 2 513.667 5.514 1 0 KKAFLO Cc1cccc(NC(=O)OCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)c1 ZINC000036338874 562057545 /nfs/dbraw/zinc/05/75/45/562057545.db2.gz LYHXXYZDGNTNCQ-UHFFFAOYSA-N 1 2 513.667 5.514 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5cccc(C(F)(F)F)c5)s4)n[nH]c2-3)CC1 ZINC000036338875 562057606 /nfs/dbraw/zinc/05/76/06/562057606.db2.gz YBPBYWHVRLZISQ-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5cccc(C(F)(F)F)c5)s4)n[nH]c2-3)CC1 ZINC000036338875 562057608 /nfs/dbraw/zinc/05/76/08/562057608.db2.gz YBPBYWHVRLZISQ-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)s2)CC1 ZINC000036338875 562057609 /nfs/dbraw/zinc/05/76/09/562057609.db2.gz YBPBYWHVRLZISQ-UHFFFAOYSA-N 1 2 566.653 5.797 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000038139345 562062621 /nfs/dbraw/zinc/06/26/21/562062621.db2.gz SKMBHDFSGDPORV-UHFFFAOYSA-N 1 2 564.130 5.598 1 0 KKAFLO C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)[nH+]c2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594661 560064299 /nfs/dbraw/zinc/06/42/99/560064299.db2.gz FXTZKNFPHCTLMN-VITIRDMPSA-N 1 2 508.574 5.100 1 0 biogenic,in-vitro KKAFLO C[C@H](NC(=O)c1ccc(CN2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079728 562645878 /nfs/dbraw/zinc/64/58/78/562645878.db2.gz KYIFZXJUWBRQGE-SFTDATJTSA-N 1 2 550.497 5.375 1 0 KKAFLO C[C@H](NC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079728 562645879 /nfs/dbraw/zinc/64/58/79/562645879.db2.gz KYIFZXJUWBRQGE-SFTDATJTSA-N 1 2 550.497 5.375 1 0 KKAFLO C[C@H](CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043356621 562648003 /nfs/dbraw/zinc/64/80/03/562648003.db2.gz FSMVKSGRPGRAIG-YVUKCEICSA-N 1 2 560.867 7.280 1 0 KKAFLO Cc1cccc(N2CC[NH+](Cc3cn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)nn3)CC2)c1 ZINC000043543886 562649499 /nfs/dbraw/zinc/64/94/99/562649499.db2.gz FOPUPOPZBNTTAY-PXLJZGITSA-N 1 2 592.788 5.973 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(NC(=O)Nc5ccc(C(F)(F)F)cc5Cl)nn(C)c4c3)c2cc1OC ZINC000044351196 562654517 /nfs/dbraw/zinc/65/45/17/562654517.db2.gz XZVLDNHMTPTVMS-UHFFFAOYSA-N 1 2 571.943 7.247 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(-c4cnc([C@H](NC(=O)N(C)C)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000044351881 562654915 /nfs/dbraw/zinc/65/49/15/562654915.db2.gz TWIHIHMDOCRFES-GDLZYMKVSA-N 1 2 583.620 5.305 1 0 KKAFLO COc1ccc(C(OCC[NH2+]Cc2ccc(F)c(O)c2F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000044418400 562657312 /nfs/dbraw/zinc/65/73/12/562657312.db2.gz VXXIFIVVSIXQML-UHFFFAOYSA-N 1 2 535.587 5.795 1 0 KKAFLO CCOc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(C(F)(F)F)cc3)cc1)CC[N@H+](C)CC2 ZINC000045167263 562658053 /nfs/dbraw/zinc/65/80/53/562658053.db2.gz IEVAXBKKQAPOLK-UHFFFAOYSA-N 1 2 519.585 5.546 1 0 KKAFLO CCOc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(C(F)(F)F)cc3)cc1)CC[N@@H+](C)CC2 ZINC000045167263 562658054 /nfs/dbraw/zinc/65/80/54/562658054.db2.gz IEVAXBKKQAPOLK-UHFFFAOYSA-N 1 2 519.585 5.546 1 0 KKAFLO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3c(cccc3CN3CC[NH+](C)CC3)[nH]2)cs1 ZINC000045194977 562658842 /nfs/dbraw/zinc/65/88/42/562658842.db2.gz NYVYKJDPUZHNKL-UHFFFAOYSA-N 1 2 510.107 5.713 1 0 KKAFLO CNc1cc(-c2cccnc2Nc2c(C)ccc3c2cc[nH+]c3Nc2ccc3sc(C)nc3c2)ncn1 ZINC000045259227 562659992 /nfs/dbraw/zinc/65/99/92/562659992.db2.gz UPABYWZSQBEEII-UHFFFAOYSA-N 1 2 504.623 6.842 1 0 KKAFLO CCCc1[nH+]c2c(cccc2C)n1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)OCC)cc1 ZINC000045316707 562660895 /nfs/dbraw/zinc/66/08/95/562660895.db2.gz JLNDFPWHZBHHAB-WJOKGBTCSA-N 1 2 500.639 6.320 1 0 KKAFLO Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2Cn2c[nH+]cc2-c2ccccc2)c1 ZINC000045321295 562661069 /nfs/dbraw/zinc/66/10/69/562661069.db2.gz FTWQEQNLUFSORF-UHFFFAOYSA-N 1 2 511.363 5.609 1 0 KKAFLO Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338576 562661470 /nfs/dbraw/zinc/66/14/70/562661470.db2.gz XEVGBPQWUBNTPB-XJFCNFDWSA-N 1 2 518.101 5.615 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C ZINC000049087973 562664339 /nfs/dbraw/zinc/66/43/39/562664339.db2.gz KVNUNQVIQXLHFU-NDEPHWFRSA-N 1 2 505.952 5.809 1 0 KKAFLO CCc1ccc([C@@](OC)(c2c[nH+]cn2CC)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)cc1 ZINC000049088872 562664414 /nfs/dbraw/zinc/66/44/14/562664414.db2.gz CMZRUYVYBZSZOJ-HKBQPEDESA-N 1 2 512.053 6.576 1 0 KKAFLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1ncnc(N)c1C ZINC000049089315 562664449 /nfs/dbraw/zinc/66/44/49/562664449.db2.gz QQWZHMYUROBWLF-UHFFFAOYSA-N 1 2 517.515 6.029 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2-c2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[nH+]1 ZINC000049111352 562664574 /nfs/dbraw/zinc/66/45/74/562664574.db2.gz NOKKNCKAYMRZOK-AWEZNQCLSA-N 1 2 516.911 5.047 1 0 KKAFLO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000049605127 562665411 /nfs/dbraw/zinc/66/54/11/562665411.db2.gz MVIZVFMASJOECI-UHFFFAOYSA-N 1 2 542.989 6.305 1 0 KKAFLO C[C@@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(=O)(=O)c1ccccc1 ZINC000049694724 562669684 /nfs/dbraw/zinc/66/96/84/562669684.db2.gz BTZSHTKXTWWUKJ-XJFCNFDWSA-N 1 2 632.750 5.376 1 0 KKAFLO CCCCc1[nH+]cc(COC(=O)c2cc(OC)c(O)c(OC)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000049694825 562669785 /nfs/dbraw/zinc/66/97/85/562669785.db2.gz LLKBFCFMJFNXQG-UHFFFAOYSA-N 1 2 568.634 5.201 1 0 KKAFLO C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C(=O)OCc1ccccc1 ZINC000049695054 562670119 /nfs/dbraw/zinc/67/01/19/562670119.db2.gz GLMGQTWNDCMBGO-ZOYWYXQUSA-N 1 2 626.721 6.324 1 0 KKAFLO COc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3cc[nH+]c4cc(OC)c(OC)cc43)c(F)c2)C1=O ZINC000049708535 562670964 /nfs/dbraw/zinc/67/09/64/562670964.db2.gz ZLVXEVKJMOYSCY-UHFFFAOYSA-N 1 2 532.528 5.666 1 0 KKAFLO CC(C)Cn1cc(C2CC[NH+](CCN3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c2ccccc21 ZINC000049710723 562671797 /nfs/dbraw/zinc/67/17/97/562671797.db2.gz ZCADCIQHZZOZHV-UHFFFAOYSA-N 1 2 644.826 8.305 1 0 KKAFLO CC(C)Cn1cc(C2CCN(CC[NH+]3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c2ccccc21 ZINC000049710723 562671798 /nfs/dbraw/zinc/67/17/98/562671798.db2.gz ZCADCIQHZZOZHV-UHFFFAOYSA-N 1 2 644.826 8.305 1 0 KKAFLO COc1ccc(CNC(=O)c2c[nH+]c3c(O)cccc3c2Nc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049723347 562673276 /nfs/dbraw/zinc/67/32/76/562673276.db2.gz JWYDNEZESMDRQU-UHFFFAOYSA-N 1 2 587.463 7.182 1 0 KKAFLO Cn1c2ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)cc2[nH+]c1Nc1cc(C(C)(C)C)on1 ZINC000049746013 562674200 /nfs/dbraw/zinc/67/42/00/562674200.db2.gz LMABTRIYPBDTMI-UHFFFAOYSA-N 1 2 546.657 5.424 1 0 KKAFLO COc1cc(CNC(=O)CC(C)(C)CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049757129 562675577 /nfs/dbraw/zinc/67/55/77/562675577.db2.gz RSHYCYNXYJLWEN-YTTGMZPUSA-N 1 2 608.179 5.722 1 0 KKAFLO COc1cc(C(=O)Nn2c3ccccc3[nH+]c2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1 ZINC000049757168 562675660 /nfs/dbraw/zinc/67/56/60/562675660.db2.gz XTKJELCTEADEMS-UHFFFAOYSA-N 1 2 591.962 5.986 1 0 KKAFLO O=C(C[NH+]1CCN([C@@H](c2ccccc2)c2cccc(Cl)c2Cl)CC1)N(c1ccccc1)c1ccccc1 ZINC000049762059 562676321 /nfs/dbraw/zinc/67/63/21/562676321.db2.gz NIMFDABOPDBIHU-HKBQPEDESA-N 1 2 530.499 7.065 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(N[C@H](CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC ZINC000049762527 562676637 /nfs/dbraw/zinc/67/66/37/562676637.db2.gz VVCJSJLTDUKFKI-RUZDIDTESA-N 1 2 529.490 6.555 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)nn1)OC1CCCC1 ZINC000049780064 562681333 /nfs/dbraw/zinc/68/13/33/562681333.db2.gz UKYRUNPIXFAIQO-HEVIKAOCSA-N 1 2 696.214 7.498 1 0 KKAFLO CCO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049783883 562683264 /nfs/dbraw/zinc/68/32/64/562683264.db2.gz RLEIUACHRMVYEO-PMERELPUSA-N 1 2 532.471 6.883 1 0 KKAFLO CCn1c[nH+]cc1[C@@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3ccccc3)c1)cc(=O)n2C ZINC000049784082 562683443 /nfs/dbraw/zinc/68/34/43/562683443.db2.gz RNRANNZUJFOBEA-PGUFJCEWSA-N 1 2 560.097 7.681 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1c(Cl)cccc1Cl)cc(=O)n2C ZINC000049784145 562683482 /nfs/dbraw/zinc/68/34/82/562683482.db2.gz WJOABMFGTCLITL-MUUNZHRXSA-N 1 2 538.862 6.838 1 0 KKAFLO Cc1ncc(-c2ccc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cn1 ZINC000049888996 562691659 /nfs/dbraw/zinc/69/16/59/562691659.db2.gz YTISFTRMFXFAKS-UHFFFAOYSA-N 1 2 586.740 7.441 1 0 KKAFLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000049938304 562695165 /nfs/dbraw/zinc/69/51/65/562695165.db2.gz RXZODQSLCIFTMK-BAEGBANDSA-N 1 2 674.886 7.657 1 0 KKAFLO O=C(c1ccc(-c2c[nH+]c3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCCCC1 ZINC000049938489 562695349 /nfs/dbraw/zinc/69/53/49/562695349.db2.gz PWLBHXRORQLROL-UHFFFAOYSA-N 1 2 514.979 6.479 1 0 KKAFLO O=C(NCc1ccccn1)c1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)cc1 ZINC000052716707 562695890 /nfs/dbraw/zinc/69/58/90/562695890.db2.gz PBTDDZBKDCDKDS-NDEPHWFRSA-N 1 2 502.622 5.363 1 0 KKAFLO O=C(NCc1ccccn1)c1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)cc1 ZINC000052716707 562695891 /nfs/dbraw/zinc/69/58/91/562695891.db2.gz PBTDDZBKDCDKDS-NDEPHWFRSA-N 1 2 502.622 5.363 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955945 562695942 /nfs/dbraw/zinc/69/59/42/562695942.db2.gz DDPJATTYFWWNTM-UHFFFAOYSA-N 1 2 607.122 6.610 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955945 562695943 /nfs/dbraw/zinc/69/59/43/562695943.db2.gz DDPJATTYFWWNTM-UHFFFAOYSA-N 1 2 607.122 6.610 1 0 KKAFLO COc1c(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc21 ZINC000053084591 562696174 /nfs/dbraw/zinc/69/61/74/562696174.db2.gz RAZKAAYRLZXGBT-UHFFFAOYSA-N 1 2 537.285 5.470 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1 ZINC000053243137 562696811 /nfs/dbraw/zinc/69/68/11/562696811.db2.gz DEYBGCXTPUNDQC-UHFFFAOYSA-N 1 2 565.478 5.904 1 0 KKAFLO CC(C)Oc1nc(Nc2[nH+]ccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053246830 562696932 /nfs/dbraw/zinc/69/69/32/562696932.db2.gz JEJLPLOYUKCUOQ-UHFFFAOYSA-N 1 2 538.452 6.854 1 0 KKAFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053293668 562697175 /nfs/dbraw/zinc/69/71/75/562697175.db2.gz ILQXCCDISZOLFI-UHFFFAOYSA-N 1 2 565.478 5.904 1 0 KKAFLO CC(C)(C)c1cc(C(=O)Cn2c3ccc(Br)cc3[nH+]c2NCCCO)cc(C(C)(C)C)c1O ZINC000053294879 562697259 /nfs/dbraw/zinc/69/72/59/562697259.db2.gz HAIBPSYJJBSKKY-UHFFFAOYSA-N 1 2 516.480 5.777 1 0 KKAFLO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2cccnc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH2+]CC1 ZINC000058548232 562699126 /nfs/dbraw/zinc/69/91/26/562699126.db2.gz HTPVTAZRDNLQIW-UHFFFAOYSA-N 1 2 661.675 6.322 1 0 KKAFLO CCCn1c(C)c(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)c1-c1ccccc1 ZINC000058563657 562699393 /nfs/dbraw/zinc/69/93/93/562699393.db2.gz QLUHLPBIGWYMIP-UHFFFAOYSA-N 1 2 513.513 6.041 1 0 KKAFLO C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(NCCS(C)(=O)=O)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058563884 562699408 /nfs/dbraw/zinc/69/94/08/562699408.db2.gz GALNGZPXDPAWDR-QGZVFWFLSA-N 1 2 596.134 5.498 1 0 KKAFLO O=C(C[NH+]1CCN(c2nnc(Cc3ccccc3)c3ccccc32)CC1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000058603670 562700902 /nfs/dbraw/zinc/70/09/02/562700902.db2.gz IGYYILSWJWUDHY-UHFFFAOYSA-N 1 2 523.534 5.139 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)ccc(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185150 562701808 /nfs/dbraw/zinc/70/18/08/562701808.db2.gz CMFMSYJMERDRPZ-GDLZYMKVSA-N 1 2 631.202 5.790 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)ccc(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185150 562701809 /nfs/dbraw/zinc/70/18/09/562701809.db2.gz CMFMSYJMERDRPZ-GDLZYMKVSA-N 1 2 631.202 5.790 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(OCCCn3cc[nH+]c3)c1)[C@@H]2O ZINC000059717672 562702177 /nfs/dbraw/zinc/70/21/77/562702177.db2.gz JHJDBJDQRPDOBI-HXCWGJBXSA-N 1 2 502.699 6.030 1 0 KKAFLO O=C1N(c2ccc(F)c(Cl)c2)[C@@H](c2ccccn2)C12CCN(c1[nH]c3cc(Cl)c(F)cc3[nH+]1)CC2 ZINC000062213037 562704401 /nfs/dbraw/zinc/70/44/01/562704401.db2.gz XVBZNKYJEANPDR-QFIPXVFZSA-N 1 2 514.363 5.918 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(N3CCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064559184 562708323 /nfs/dbraw/zinc/70/83/23/562708323.db2.gz UDFHWNXRNNWYAF-UHFFFAOYSA-N 1 2 508.470 5.468 1 0 KKAFLO CCCCNc1nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)nc(Nc2ccccc2C)n1 ZINC000066076372 562710141 /nfs/dbraw/zinc/71/01/41/562710141.db2.gz ICSQIXMXGYMFLE-UHFFFAOYSA-N 1 2 525.060 7.824 1 0 KKAFLO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]Cc2ccco2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066104683 562711771 /nfs/dbraw/zinc/71/17/71/562711771.db2.gz WXGBJDVFRNTMBB-FFFSVGICSA-N 1 2 534.538 6.002 1 0 KKAFLO c1ccc(CON2CCN=C2Nc2ccc(Nc3ccc(NC4=[NH+]CCN4OCc4ccccc4)cc3)cc2)cc1 ZINC000066112696 562712085 /nfs/dbraw/zinc/71/20/85/562712085.db2.gz HONPJNDFGMMTFS-UHFFFAOYSA-N 1 2 547.663 5.861 1 0 KKAFLO FC(F)(F)c1ccc(Nc2nc(NCc3ccccn3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066251496 562714464 /nfs/dbraw/zinc/71/44/64/562714464.db2.gz HULIPYRTZHBHFC-UHFFFAOYSA-N 1 2 559.518 6.265 1 0 KKAFLO Brc1ccc(-c2c[nH]c(-c3ccc4[nH+]c(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)n2)cc1 ZINC000066258876 562715112 /nfs/dbraw/zinc/71/51/12/562715112.db2.gz UFELTAGZYNUASM-UHFFFAOYSA-N 1 2 598.504 9.357 1 0 KKAFLO C[N@@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@]2(C4)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000068199012 562715913 /nfs/dbraw/zinc/71/59/13/562715913.db2.gz RIIZMIGAWDJDCC-HEVIKAOCSA-N 1 2 593.678 5.399 1 0 KKAFLO C[N@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@]2(C4)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000068199012 562715914 /nfs/dbraw/zinc/71/59/14/562715914.db2.gz RIIZMIGAWDJDCC-HEVIKAOCSA-N 1 2 593.678 5.399 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000071281754 562716700 /nfs/dbraw/zinc/71/67/00/562716700.db2.gz WFMHXXDLSMMIGB-ULJKERAFSA-N 1 2 576.741 6.475 1 0 KKAFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000071281754 562716701 /nfs/dbraw/zinc/71/67/01/562716701.db2.gz WFMHXXDLSMMIGB-ULJKERAFSA-N 1 2 576.741 6.475 1 0 KKAFLO Cc1nc2ccccc2n1C1CC2CCC(C1)[NH+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000071295870 562717333 /nfs/dbraw/zinc/71/73/33/562717333.db2.gz FRIFKHCBKHZZLE-BCFRNYDHSA-N 1 2 639.866 6.027 1 0 KKAFLO Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NC(C)C)[nH+]1 ZINC000071317102 562718144 /nfs/dbraw/zinc/71/81/44/562718144.db2.gz HGPBYJVORXGXAU-UHFFFAOYSA-N 1 2 616.591 5.290 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](c1ccc(-c2ccccc2)cc1)N1CC[NH+](CCO)CC1 ZINC000071317713 562718316 /nfs/dbraw/zinc/71/83/16/562718316.db2.gz HDFSXQPYZWEPSX-HKBQPEDESA-N 1 2 554.090 5.528 1 0 KKAFLO CCOC(=O)[C@H](C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000071319239 562718735 /nfs/dbraw/zinc/71/87/35/562718735.db2.gz FLHMVCQQCUFIIT-OAHLLOKOSA-N 1 2 566.083 5.437 1 0 KKAFLO CCOC(=O)[C@H](C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000071319239 562718736 /nfs/dbraw/zinc/71/87/36/562718736.db2.gz FLHMVCQQCUFIIT-OAHLLOKOSA-N 1 2 566.083 5.437 1 0 KKAFLO CCc1ccc(C(=O)Nc2cc(-n3c[nH+]c(C)c3)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1 ZINC000071330575 562719165 /nfs/dbraw/zinc/71/91/65/562719165.db2.gz RCKUTXYPADMBLF-UHFFFAOYSA-N 1 2 548.594 7.276 1 0 KKAFLO O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCCn1cc[nH+]c1 ZINC000072131718 562726781 /nfs/dbraw/zinc/72/67/81/562726781.db2.gz QZRWWCGEYXHWRT-REOUMGPISA-N 1 2 655.243 5.476 3 0 KKAFLO CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147687 562729833 /nfs/dbraw/zinc/72/98/33/562729833.db2.gz UTYQSDDNHNQDOZ-WDYNHAJCSA-N 1 2 673.081 7.324 1 0 KKAFLO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000072147684 562729841 /nfs/dbraw/zinc/72/98/41/562729841.db2.gz JXRXYMAHDVCJLM-JOCHJYFZSA-N 1 2 652.655 5.175 1 0 KKAFLO C[C@@H]1CC[C@]2(C(=O)N3CC[NH+](CCO)CC3)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 ZINC000072176493 562731621 /nfs/dbraw/zinc/73/16/21/562731621.db2.gz AYTZXSIWDGHLGK-JMBNEQOHSA-N 1 2 568.887 6.141 1 0 KKAFLO O=C(NC1CC[NH+]([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000072184768 562732941 /nfs/dbraw/zinc/73/29/41/562732941.db2.gz LKMDHUQJLAYUMB-QFIPXVFZSA-N 1 2 510.894 5.411 1 0 KKAFLO CCOC(=O)Nc1ccccc1[C@@H](c1ccc(C(=O)N(CC)CC)cc1)[NH+]1CCN(Cc2cscn2)CC1 ZINC000073168072 562734665 /nfs/dbraw/zinc/73/46/65/562734665.db2.gz QIUQYNYDAOLCOC-HHHXNRCGSA-N 1 2 535.714 5.101 1 0 KKAFLO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000073196965 562735253 /nfs/dbraw/zinc/73/52/53/562735253.db2.gz NATNZGIPMPSFJM-MGBGTMOVSA-N 1 2 620.190 5.401 1 0 KKAFLO COC(=O)[C@@]12C[C@H]3COc4ccc5ccccc5c4[C@H]3[N@@H+]1[C@H](c1ccc(C)cc1)c1[nH]c3ccccc3c1C2 ZINC000073198064 562735551 /nfs/dbraw/zinc/73/55/51/562735551.db2.gz WUQREEMWBMTXIQ-UPKVVRCYSA-N 1 2 514.625 6.642 1 0 KKAFLO COC(=O)[C@@]12C[C@H]3COc4ccc5ccccc5c4[C@H]3[N@H+]1[C@H](c1ccc(C)cc1)c1[nH]c3ccccc3c1C2 ZINC000073198064 562735552 /nfs/dbraw/zinc/73/55/52/562735552.db2.gz WUQREEMWBMTXIQ-UPKVVRCYSA-N 1 2 514.625 6.642 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073222993 562736420 /nfs/dbraw/zinc/73/64/20/562736420.db2.gz IKQHROZLOAZVBL-UHFFFAOYSA-N 1 2 562.020 5.374 1 0 KKAFLO CC[C@@H](C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000082136611 562738886 /nfs/dbraw/zinc/73/88/86/562738886.db2.gz CKYDQYZYGYJFLM-PCUWGRHASA-N 1 2 673.818 6.083 1 0 KKAFLO CC[C@H](C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000082136612 562738907 /nfs/dbraw/zinc/73/89/07/562738907.db2.gz CKYDQYZYGYJFLM-NRXURXQESA-N 1 2 673.818 6.083 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CCNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)cc1 ZINC000082140571 562739479 /nfs/dbraw/zinc/73/94/79/562739479.db2.gz HQZOZSYWPMXSEU-JGCGQSQUSA-N 1 2 731.212 5.441 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]CC(F)F)ccc2Cl)C2CC2)cc1 ZINC000082149146 562739638 /nfs/dbraw/zinc/73/96/38/562739638.db2.gz BXVWXSSIZGILPK-WJOKGBTCSA-N 1 2 671.185 5.185 1 0 KKAFLO O=C(CC(F)(F)F)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082149032 562739668 /nfs/dbraw/zinc/73/96/68/562739668.db2.gz WRYAEJRGIKOORT-SSEXGKCCSA-N 1 2 691.578 6.070 1 0 KKAFLO C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(-c2cn3c(n2)sc2c3C[N@H+](Cc3ccccc3)CC2)cc1 ZINC000082149523 562739702 /nfs/dbraw/zinc/73/97/02/562739702.db2.gz NURADMYOAHDLGO-HXUWFJFHSA-N 1 2 585.680 5.585 1 0 KKAFLO C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(-c2cn3c(n2)sc2c3C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000082149523 562739703 /nfs/dbraw/zinc/73/97/03/562739703.db2.gz NURADMYOAHDLGO-HXUWFJFHSA-N 1 2 585.680 5.585 1 0 KKAFLO FC(F)(F)c1ccccc1C1CCN(c2cc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)nc[nH+]2)CC1 ZINC000082151254 562739919 /nfs/dbraw/zinc/73/99/19/562739919.db2.gz GVBKAPYPQHIZAG-QHCPKHFHSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1ccccc1C1CCN(c2cc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH+]cn2)CC1 ZINC000082151254 562739920 /nfs/dbraw/zinc/73/99/20/562739920.db2.gz GVBKAPYPQHIZAG-QHCPKHFHSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1ccc([C@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)nc[nH+]3)C2)cc1 ZINC000082151462 562739948 /nfs/dbraw/zinc/73/99/48/562739948.db2.gz KJMDYCLVOMWILV-SBUREZEXSA-N 1 2 561.439 7.404 1 0 KKAFLO FC(F)(F)c1ccc([C@H]2CCCN(c3cc(N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)[nH+]cn3)C2)cc1 ZINC000082151462 562739949 /nfs/dbraw/zinc/73/99/49/562739949.db2.gz KJMDYCLVOMWILV-SBUREZEXSA-N 1 2 561.439 7.404 1 0 KKAFLO O=C(CCNC(=O)Cc1cc(F)cc(F)c1)Nc1ccc(-c2cn3c(n2)sc2c3CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000082154090 562740236 /nfs/dbraw/zinc/74/02/36/562740236.db2.gz GHVHONWLRHJISU-UHFFFAOYSA-N 1 2 585.680 5.587 1 0 KKAFLO CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082153905 562740292 /nfs/dbraw/zinc/74/02/92/562740292.db2.gz WAVVSQHFTWZJPX-WJOKGBTCSA-N 1 2 637.608 5.180 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)cc1 ZINC000082154587 562740348 /nfs/dbraw/zinc/74/03/48/562740348.db2.gz UEXDSHMRMKBWAO-WJOKGBTCSA-N 1 2 717.185 5.399 1 0 KKAFLO CC(C)(C)OCC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082156444 562740702 /nfs/dbraw/zinc/74/07/02/562740702.db2.gz PDLDTKNPLCCRMH-PGUFJCEWSA-N 1 2 705.296 5.296 1 0 KKAFLO O=C(CC(F)(F)F)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082157095 562740793 /nfs/dbraw/zinc/74/07/93/562740793.db2.gz CULBSVWAKVLVQT-WJOKGBTCSA-N 1 2 705.605 6.112 1 0 KKAFLO CCOc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@@H+]32)c1 ZINC000082157166 562740849 /nfs/dbraw/zinc/74/08/49/562740849.db2.gz LMZYSZYVTRLRLE-FGCOXFRFSA-N 1 2 510.478 7.296 1 0 KKAFLO CCOc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@H+]32)c1 ZINC000082157166 562740850 /nfs/dbraw/zinc/74/08/50/562740850.db2.gz LMZYSZYVTRLRLE-FGCOXFRFSA-N 1 2 510.478 7.296 1 0 KKAFLO Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C[NH+]3CCOCC3)[nH]nc21 ZINC000084586601 562743419 /nfs/dbraw/zinc/74/34/19/562743419.db2.gz SAYDNSNTUKHINT-HKBQPEDESA-N 1 2 609.731 5.031 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@H]4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654110 562747156 /nfs/dbraw/zinc/74/71/56/562747156.db2.gz GFMJATLKGABDIJ-LJQANCHMSA-N 1 2 501.514 5.175 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)N4CC[C@@H](Cc5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084756823 562752313 /nfs/dbraw/zinc/75/23/13/562752313.db2.gz XNEDFTVHEMGHBT-IBGZPJMESA-N 1 2 515.541 5.807 1 0 KKAFLO Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1C[NH+]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000095552317 562760614 /nfs/dbraw/zinc/76/06/14/562760614.db2.gz UJVLYPXHZKMJDT-UHFFFAOYSA-N 1 2 528.427 6.518 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CCNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000095548817 562759525 /nfs/dbraw/zinc/75/95/25/562759525.db2.gz ZVJBNZULUGHADA-MUUNZHRXSA-N 1 2 757.037 5.915 1 0 KKAFLO C[C@H](CCCN1C=[NH+]N(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000095552970 562760821 /nfs/dbraw/zinc/76/08/21/562760821.db2.gz SAARQIBDVKDNAR-PRGFCWPMSA-N 1 2 652.875 6.399 1 0 KKAFLO CC(C)[NH+]1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1 ZINC000095560547 562763052 /nfs/dbraw/zinc/76/30/52/562763052.db2.gz FGOGRVVUAJAJDC-UHFFFAOYSA-N 1 2 520.634 5.515 1 0 KKAFLO c1ccc(CN2CC[NH+](CCCc3ccc([C@@H](c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000095560641 562763114 /nfs/dbraw/zinc/76/31/14/562763114.db2.gz YLUBGTJTYPZYJD-QFYCVLDPSA-N 1 2 518.789 7.785 1 0 KKAFLO c1ccc(C[NH+]2CCN(CCCc3ccc([C@@H](c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000095560641 562763115 /nfs/dbraw/zinc/76/31/15/562763115.db2.gz YLUBGTJTYPZYJD-QFYCVLDPSA-N 1 2 518.789 7.785 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568805 562766882 /nfs/dbraw/zinc/76/68/82/562766882.db2.gz DEMCBGNJFOTASI-SGHJWQDXSA-N 1 2 638.589 5.214 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568805 562766883 /nfs/dbraw/zinc/76/68/83/562766883.db2.gz DEMCBGNJFOTASI-SGHJWQDXSA-N 1 2 638.589 5.214 1 0 KKAFLO COc1cc([C@@H]2CN(C(C)=O)C[C@@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1c[nH+]c(C)c1 ZINC000095574844 562770112 /nfs/dbraw/zinc/77/01/12/562770112.db2.gz OPHATNOHDVCYDF-RDNALMLJSA-N 1 2 518.633 5.034 1 0 KKAFLO C[NH+]1CC(n2nccc2-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)C1 ZINC000095583951 562773121 /nfs/dbraw/zinc/77/31/21/562773121.db2.gz OCLPFGVZNJQHDC-UHFFFAOYSA-N 1 2 604.995 5.172 1 0 KKAFLO O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CC[NH2+]CC2)cc1F ZINC000095585041 562773433 /nfs/dbraw/zinc/77/34/33/562773433.db2.gz KFEQQQDAVHORNC-UHFFFAOYSA-N 1 2 514.381 5.727 1 0 KKAFLO O=c1nc(SCc2ccc(F)cc2)n(Cc2[nH+]cc(CN3CCCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000095586449 562773942 /nfs/dbraw/zinc/77/39/42/562773942.db2.gz FSENQQOVWLLLSY-UHFFFAOYSA-N 1 2 687.807 8.128 1 0 KKAFLO COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3cc[nH+]c(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2c1 ZINC000095586629 562774045 /nfs/dbraw/zinc/77/40/45/562774045.db2.gz HWLPUOSBEAGBSQ-XMMPIXPASA-N 1 2 518.621 5.457 1 0 KKAFLO O=C(C1CC1)N1CCC[C@@H](Nc2nc(-n3c4ccccc4nc3-c3ccc(Cl)c(Cl)c3)cc[nH+]2)C1 ZINC000095591290 562775573 /nfs/dbraw/zinc/77/55/73/562775573.db2.gz HHDRDYGKYXSQBA-GOSISDBHSA-N 1 2 507.425 5.602 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603794 562780685 /nfs/dbraw/zinc/78/06/85/562780685.db2.gz FDDMFJKLVOMWML-YDLQOJJBSA-N 1 2 703.683 7.704 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603794 562780686 /nfs/dbraw/zinc/78/06/86/562780686.db2.gz FDDMFJKLVOMWML-YDLQOJJBSA-N 1 2 703.683 7.704 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccccc1)OCCCC[C@H](C)O2 ZINC000095605766 562781741 /nfs/dbraw/zinc/78/17/41/562781741.db2.gz BZKXYYWVTPCCEL-FLWJLJKUSA-N 1 2 656.846 5.020 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccccc1)OCCCC[C@H](C)O2 ZINC000095605766 562781742 /nfs/dbraw/zinc/78/17/42/562781742.db2.gz BZKXYYWVTPCCEL-FLWJLJKUSA-N 1 2 656.846 5.020 1 0 KKAFLO Cc1[nH+]c2c(ccc(C)c2NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21 ZINC000095612185 562785314 /nfs/dbraw/zinc/78/53/14/562785314.db2.gz PCOWNQCLFYEXLR-UHFFFAOYSA-N 1 2 754.775 10.407 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000095696500 562788478 /nfs/dbraw/zinc/78/84/78/562788478.db2.gz RXBRSSYZLRSPDU-UHFFFAOYSA-N 1 2 604.551 6.875 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(SC(F)(F)F)ccc21 ZINC000095696496 562788495 /nfs/dbraw/zinc/78/84/95/562788495.db2.gz LPHRGJNQGFMZDE-UHFFFAOYSA-N 1 2 652.686 8.181 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095751763 562788847 /nfs/dbraw/zinc/78/88/47/562788847.db2.gz URUYPBZFUNKRKA-VUKRRIEASA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095751763 562788848 /nfs/dbraw/zinc/78/88/48/562788848.db2.gz URUYPBZFUNKRKA-VUKRRIEASA-N 1 2 673.898 5.485 1 0 KKAFLO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095772471 562788947 /nfs/dbraw/zinc/78/89/47/562788947.db2.gz IMAZABZUGRGYGK-ZZGLAUBNSA-N 1 2 686.872 5.028 1 0 KKAFLO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095772471 562788948 /nfs/dbraw/zinc/78/89/48/562788948.db2.gz IMAZABZUGRGYGK-ZZGLAUBNSA-N 1 2 686.872 5.028 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095825765 562789306 /nfs/dbraw/zinc/78/93/06/562789306.db2.gz BXTVDZFZASASBZ-BSFYYBBGSA-N 1 2 687.881 5.205 1 0 KKAFLO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000095825765 562789307 /nfs/dbraw/zinc/78/93/07/562789307.db2.gz BXTVDZFZASASBZ-BSFYYBBGSA-N 1 2 687.881 5.205 1 0 KKAFLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000096248110 562792847 /nfs/dbraw/zinc/79/28/47/562792847.db2.gz PCUHKXFCORPXBB-LJQANCHMSA-N 1 2 502.459 5.718 1 0 KKAFLO O=C(Nc1nc2ccccc2s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258226 562792801 /nfs/dbraw/zinc/79/28/01/562792801.db2.gz GCEKXNZJEPZBBC-UHFFFAOYSA-N 1 2 500.668 5.685 1 0 KKAFLO CCOC(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258254 562792813 /nfs/dbraw/zinc/79/28/13/562792813.db2.gz OXHNKLWZYBWYDC-UHFFFAOYSA-N 1 2 572.731 5.861 1 0 KKAFLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000096248110 562792846 /nfs/dbraw/zinc/79/28/46/562792846.db2.gz PCUHKXFCORPXBB-LJQANCHMSA-N 1 2 502.459 5.718 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccccc2)cc2c[nH]nc21 ZINC000096284734 562795335 /nfs/dbraw/zinc/79/53/35/562795335.db2.gz FKCJGQMMOGKLEI-SSEXGKCCSA-N 1 2 588.716 5.622 1 0 KKAFLO C[C@H](Sc1cc(-c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285929 562795949 /nfs/dbraw/zinc/79/59/49/562795949.db2.gz SNHNCLBUYYFWMS-INIZCTEOSA-N 1 2 549.499 5.380 1 0 KKAFLO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[NH2+]Cc4ccccn4)n3c2=O)c1 ZINC000096300995 562796278 /nfs/dbraw/zinc/79/62/78/562796278.db2.gz MAQQVBNGFCLRTM-UHFFFAOYSA-N 1 2 539.655 5.650 1 0 KKAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000096900226 562796732 /nfs/dbraw/zinc/79/67/32/562796732.db2.gz BCCRJSQTEBENFE-DEOSSOPVSA-N 1 2 593.042 5.875 1 0 KKAFLO COc1ccc(CNc2nc(Nc3ccc([C@]4(C)Nc5ccccc5C(=O)N4)cc3)nc(NCc3ccc(OC)cc3)[nH+]2)cc1 ZINC000096909701 562799697 /nfs/dbraw/zinc/79/96/97/562799697.db2.gz LNANOPWNLNORDH-UUWRZZSWSA-N 1 2 602.699 5.885 1 0 KKAFLO CCCCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913959 562800651 /nfs/dbraw/zinc/80/06/51/562800651.db2.gz DHTZPXOXRVKNMG-MHZLTWQESA-N 1 2 532.681 5.350 1 0 KKAFLO CCCCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913959 562800652 /nfs/dbraw/zinc/80/06/52/562800652.db2.gz DHTZPXOXRVKNMG-MHZLTWQESA-N 1 2 532.681 5.350 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCc4cccnc4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913946 562800658 /nfs/dbraw/zinc/80/06/58/562800658.db2.gz YQVBQOURWPGYFP-GDLZYMKVSA-N 1 2 567.686 5.145 1 0 KKAFLO COc1ccc(C[C@@H]2c3cc(OCc4cccnc4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913946 562800659 /nfs/dbraw/zinc/80/06/59/562800659.db2.gz YQVBQOURWPGYFP-GDLZYMKVSA-N 1 2 567.686 5.145 1 0 KKAFLO O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)NCc1cn(Cc2cccc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)nn1)c1ccccc1 ZINC000096914878 562800911 /nfs/dbraw/zinc/80/09/11/562800911.db2.gz GNSOSWYAQOMDGJ-JHOUSYSJSA-N 1 2 632.124 5.420 1 0 KKAFLO O=CN1N=C(c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000096921896 562801588 /nfs/dbraw/zinc/80/15/88/562801588.db2.gz CZRUJFOPJXITIQ-VWLOTQADSA-N 1 2 505.803 6.702 1 0 KKAFLO Nc1[nH+]cnc2c1c(C(=O)c1cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c1)cn2C1CCCC1 ZINC000096928062 562802751 /nfs/dbraw/zinc/80/27/51/562802751.db2.gz ZAWWCTXYZTURLN-UHFFFAOYSA-N 1 2 509.397 6.310 1 0 KKAFLO CN(C)c1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3c2ccc(F)c3F)cc1 ZINC000096937494 562804243 /nfs/dbraw/zinc/80/42/43/562804243.db2.gz NWKSMCGZSJDMOF-YTTGMZPUSA-N 1 2 549.662 5.326 1 0 KKAFLO COc1ccc(Nc2[nH]c3c([nH+]2)c(Br)c(Br)c(Br)c3Br)cc1OC ZINC000143523686 562835137 /nfs/dbraw/zinc/83/51/37/562835137.db2.gz JCSGRMIFHDASHS-UHFFFAOYSA-N 1 2 584.888 6.374 1 0 KKAFLO COc1ccc(C2=[NH+][C@@H](c3ccc(C(F)(F)F)cc3F)C(C(=O)Nc3ccc4n[nH]cc4c3)=C(C)N2)cc1 ZINC000100410963 562806940 /nfs/dbraw/zinc/80/69/40/562806940.db2.gz UDGVPGNQAALWQS-DEOSSOPVSA-N 1 2 523.490 5.733 1 0 KKAFLO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCCCn2cc[nH+]c2)n1-c1ccccc1 ZINC000103165517 562814591 /nfs/dbraw/zinc/81/45/91/562814591.db2.gz UMAKBKWXYPWGMB-UHFFFAOYSA-N 1 2 562.728 6.244 1 0 KKAFLO COc1ccccc1-c1cc(-c2cc3cc(Br)ccc3oc2=O)nc(NC[NH+]2CCCCC2)n1 ZINC000103168755 562814698 /nfs/dbraw/zinc/81/46/98/562814698.db2.gz BOQDTJCHRHMKME-UHFFFAOYSA-N 1 2 521.415 5.543 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Cl)cc2)nc(NC[NH+]2CCCCC2)n1 ZINC000103168747 562814731 /nfs/dbraw/zinc/81/47/31/562814731.db2.gz GNNROGZTFJZSQF-UHFFFAOYSA-N 1 2 525.834 6.188 1 0 KKAFLO O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccccc2Cl)nc(NC[NH+]2CCCCC2)n1 ZINC000103175621 562815035 /nfs/dbraw/zinc/81/50/35/562815035.db2.gz XJLHFPWQVHOXRC-UHFFFAOYSA-N 1 2 525.834 6.188 1 0 KKAFLO Cc1ccccc1OCc1ccccc1-c1nc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cs1 ZINC000103187458 562815493 /nfs/dbraw/zinc/81/54/93/562815493.db2.gz HHCSUPLQKOVQOX-UMSFTDKQSA-N 1 2 580.197 8.258 1 0 KKAFLO CCOc1ccc([C@H](C(=O)N(CC)CC)[NH+]2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 ZINC000103227701 562817913 /nfs/dbraw/zinc/81/79/13/562817913.db2.gz IYKXJCCHLHRIKL-MUUNZHRXSA-N 1 2 526.697 5.331 1 0 KKAFLO CCOc1ccc([C@@H](C(=O)N(CC)CC)[NH+]2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 ZINC000103227696 562817923 /nfs/dbraw/zinc/81/79/23/562817923.db2.gz IYKXJCCHLHRIKL-NDEPHWFRSA-N 1 2 526.697 5.331 1 0 KKAFLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 ZINC000103227794 562817984 /nfs/dbraw/zinc/81/79/84/562817984.db2.gz CAVHOWBMUHUXQX-HKBQPEDESA-N 1 2 556.726 6.008 1 0 KKAFLO COc1cc(-c2cc(NC(=O)Nc3cc(OCC[NH+]4CCOCC4)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228660 562818011 /nfs/dbraw/zinc/81/80/11/562818011.db2.gz AFHVAMNNMGRKAY-UHFFFAOYSA-N 1 2 563.651 5.245 1 0 KKAFLO CCCNc1nc(Nc2ccccc2)nc(OCCCCNc2nc(Nc3ccccc3)nc(NCCC)[nH+]2)n1 ZINC000103255149 562820660 /nfs/dbraw/zinc/82/06/60/562820660.db2.gz PVVGBGLAOMEYFZ-UHFFFAOYSA-N 1 2 543.680 5.459 1 0 KKAFLO CCCNc1nc(Nc2ccccc2)nc(NCCCCOc2nc(Nc3ccccc3)nc(NC3CC3)n2)[nH+]1 ZINC000103255170 562820723 /nfs/dbraw/zinc/82/07/23/562820723.db2.gz HRBOADRQJNEAMB-UHFFFAOYSA-N 1 2 541.664 5.211 1 0 KKAFLO O=C(N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000103261503 562821468 /nfs/dbraw/zinc/82/14/68/562821468.db2.gz CDYHRTJYYKSDCO-HKBQPEDESA-N 1 2 613.080 5.574 1 0 KKAFLO CC(C)(C)OC(=O)NCCCC[C@@H]1[NH2+][C@@H]([C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OC(C)(C)C)CNC1=O ZINC000103287163 562823859 /nfs/dbraw/zinc/82/38/59/562823859.db2.gz RLLQKHVGNLCHRF-CCDWMCETSA-N 1 2 629.799 5.012 1 0 KKAFLO Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)c4ccc5c(N)[nH+]ccc5c4)nc3Cl)ccc12 ZINC000113726455 562826746 /nfs/dbraw/zinc/82/67/46/562826746.db2.gz KWHJKKRXFUNBAJ-QFIPXVFZSA-N 1 2 523.000 5.033 1 0 KKAFLO C[NH+]1CCN(c2ccc(-c3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)cc2)CC1 ZINC000114036751 562827193 /nfs/dbraw/zinc/82/71/93/562827193.db2.gz UXEYELWVEBSVQY-UHFFFAOYSA-N 1 2 532.471 6.926 1 0 KKAFLO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NCCO)[nH+]c4)c3c2)cc(Cl)c1O ZINC000114037609 562827221 /nfs/dbraw/zinc/82/72/21/562827221.db2.gz MJMAWNJOKNEUAY-UHFFFAOYSA-N 1 2 504.974 5.405 1 0 KKAFLO O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cc1)c1cccs1 ZINC000114980008 562828605 /nfs/dbraw/zinc/82/86/05/562828605.db2.gz ZJEKQBGSNAMQLV-MUUNZHRXSA-N 1 2 551.133 7.303 1 0 KKAFLO CS(=O)(=O)C[C@@H]([NH3+])c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115937297 562829103 /nfs/dbraw/zinc/82/91/03/562829103.db2.gz RENFOOCUNGUUHO-HSZRJFAPSA-N 1 2 567.042 6.049 1 0 KKAFLO COc1ccc(CN2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6[nH]cc[nH+]6)cc5)c4n3)C2=O)cc1 ZINC000116187490 562829304 /nfs/dbraw/zinc/82/93/04/562829304.db2.gz IOCUXYHFATZXGP-RUZDIDTESA-N 1 2 507.598 5.262 1 0 KKAFLO Cc1c(-c2ccncc2)[nH+]c2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118093021 562830116 /nfs/dbraw/zinc/83/01/16/562830116.db2.gz CORJRWJWTYUXJH-UHFFFAOYSA-N 1 2 510.613 5.781 1 0 KKAFLO CC(C)C[C@H]([NH2+]CCc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1)C(=O)OC1CCCC1 ZINC000139174852 562832383 /nfs/dbraw/zinc/83/23/83/562832383.db2.gz XQKAXASIHJSCRN-SANMLTNESA-N 1 2 587.614 5.240 1 0 KKAFLO COC(=O)CNc1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)[nH+]c(C)n3)c2)cn1 ZINC000141926260 562833850 /nfs/dbraw/zinc/83/38/50/562833850.db2.gz AAVKROGQIYXLLU-SFHVURJKSA-N 1 2 508.582 5.722 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N[C@@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000148329436 562841038 /nfs/dbraw/zinc/84/10/38/562841038.db2.gz YXZOOHZBYSCFKD-HXUWFJFHSA-N 1 2 589.582 5.438 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH+]2CCOCC2)C(=O)N[C@H](CCN(Cc2ccccc2)C(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150607075 562848046 /nfs/dbraw/zinc/84/80/46/562848046.db2.gz BIJHYGNWGXBYFX-LDNVYYCDSA-N 1 2 762.015 5.912 1 0 KKAFLO CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)NC[C@@H]([C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OC(C)(C)C)[N@H+]1Cc1ccccc1 ZINC000150611163 562848405 /nfs/dbraw/zinc/84/84/05/562848405.db2.gz CLUWMJXDXGTOBC-RGRQWMLTSA-N 1 2 719.924 6.925 1 0 KKAFLO CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)NC[C@@H]([C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OC(C)(C)C)[N@@H+]1Cc1ccccc1 ZINC000150611163 562848406 /nfs/dbraw/zinc/84/84/06/562848406.db2.gz CLUWMJXDXGTOBC-RGRQWMLTSA-N 1 2 719.924 6.925 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@@H+]3C)cc2)c1=O ZINC000164635093 562849692 /nfs/dbraw/zinc/84/96/92/562849692.db2.gz OILKPXUBRGRVPF-MUUNZHRXSA-N 1 2 635.165 5.621 1 0 KKAFLO Cn1cc(-c2ccc(Cl)c(NC(=O)c3cc4c(s3)CCCC4)c2F)nc(Nc2ccc([C@@H]3C(=O)N(C)CC[N@H+]3C)cc2)c1=O ZINC000164635093 562849693 /nfs/dbraw/zinc/84/96/93/562849693.db2.gz OILKPXUBRGRVPF-MUUNZHRXSA-N 1 2 635.165 5.621 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165399291 562850203 /nfs/dbraw/zinc/85/02/03/562850203.db2.gz OBHHPODHFOQLIT-UHFFFAOYSA-N 1 2 635.465 6.424 1 0 KKAFLO C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@@H+]1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306271 562853521 /nfs/dbraw/zinc/85/35/21/562853521.db2.gz QXCOKKWUUTXXNB-IWZIZFMYSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)C[N@H+]1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306271 562853522 /nfs/dbraw/zinc/85/35/22/562853522.db2.gz QXCOKKWUUTXXNB-IWZIZFMYSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@H+]([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306271 562853523 /nfs/dbraw/zinc/85/35/23/562853523.db2.gz QXCOKKWUUTXXNB-IWZIZFMYSA-N 1 2 780.916 9.203 1 0 KKAFLO C[C@@H]1C[N@@H+]([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1[C@@H](c1cccc(O)c1)c1cccc(C(=O)N(C)c2cccc(F)c2)c1 ZINC000169306271 562853524 /nfs/dbraw/zinc/85/35/24/562853524.db2.gz QXCOKKWUUTXXNB-IWZIZFMYSA-N 1 2 780.916 9.203 1 0 KKAFLO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)[C@@H](C)CC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000169329658 562858587 /nfs/dbraw/zinc/85/85/87/562858587.db2.gz PLNDZQXQMZEUDA-HJOGWXRNSA-N 1 2 543.814 7.679 1 0 KKAFLO COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)cn2)c(OC)c1 ZINC000169335160 562859649 /nfs/dbraw/zinc/85/96/49/562859649.db2.gz CWMCTXHXQPNWBS-MHZLTWQESA-N 1 2 587.529 5.284 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NC4CCCCC4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000169339742 562860500 /nfs/dbraw/zinc/86/05/00/562860500.db2.gz TWOPZJKXVFEKDX-GDLZYMKVSA-N 1 2 561.777 5.594 1 0 KKAFLO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2[nH+]ccn2c1 ZINC000169340180 562860592 /nfs/dbraw/zinc/86/05/92/562860592.db2.gz LIJJJHHMOOLXNM-UHFFFAOYSA-N 1 2 587.724 7.076 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccco3)c2)cc1F ZINC000169345212 562861581 /nfs/dbraw/zinc/86/15/81/562861581.db2.gz PEFYXLPKRGWTPZ-UHFFFAOYSA-N 1 2 646.741 6.252 1 0 KKAFLO CCCCCCOc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000169349175 562862441 /nfs/dbraw/zinc/86/24/41/562862441.db2.gz GXIHSGIDZJWTEP-LJAQVGFWSA-N 1 2 560.735 6.130 1 0 KKAFLO CCCCCCOc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000169349175 562862442 /nfs/dbraw/zinc/86/24/42/562862442.db2.gz GXIHSGIDZJWTEP-LJAQVGFWSA-N 1 2 560.735 6.130 1 0 KKAFLO Cn1c2cc(Nc3ccc(F)c(Cl)c3)c(C(=O)NCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700895 562867778 /nfs/dbraw/zinc/86/77/78/562867778.db2.gz COWHPDSHRFNNSI-UHFFFAOYSA-N 1 2 673.926 8.114 1 0 KKAFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c1Cl ZINC000169701065 562867949 /nfs/dbraw/zinc/86/79/49/562867949.db2.gz ZIGDZHWRACJSAI-MHTXLSKPSA-N 1 2 719.926 7.146 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCC(F)F)c(OCC(F)F)cc21 ZINC000169703098 562868603 /nfs/dbraw/zinc/86/86/03/562868603.db2.gz RMTPLSINCGOQFF-UHFFFAOYSA-N 1 2 592.421 5.925 1 0 KKAFLO Cn1c2cc(OCC(F)F)c(C(=O)NC3CCC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703081 562868605 /nfs/dbraw/zinc/86/86/05/562868605.db2.gz ITNWRDBUYDXUGJ-UHFFFAOYSA-N 1 2 582.479 6.212 1 0 KKAFLO C[Si](C)(C)CCOCn1cc[nH+]c1C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000169979113 562871446 /nfs/dbraw/zinc/87/14/46/562871446.db2.gz YQCDGYLWRSURGG-MUUNZHRXSA-N 1 2 511.742 6.428 1 0 KKAFLO COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C[C@H](C(F)(F)F)C1 ZINC000199801337 562873070 /nfs/dbraw/zinc/87/30/70/562873070.db2.gz XPMXTVNPOHZJTA-VQTJNVASSA-N 1 2 566.559 5.208 1 0 KKAFLO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C[C@H](C)C1 ZINC000199802386 562873120 /nfs/dbraw/zinc/87/31/20/562873120.db2.gz MWNALDOEJJOWMF-PKOBYXMFSA-N 1 2 529.641 5.628 1 0 KKAFLO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C[C@H](C)C1 ZINC000199802386 562873121 /nfs/dbraw/zinc/87/31/21/562873121.db2.gz MWNALDOEJJOWMF-PKOBYXMFSA-N 1 2 529.641 5.628 1 0 KKAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1 ZINC000199994642 562873218 /nfs/dbraw/zinc/87/32/18/562873218.db2.gz JCLBYIYWXRZBNK-AREMUKBSSA-N 1 2 523.662 5.423 1 0 KKAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1 ZINC000199994642 562873219 /nfs/dbraw/zinc/87/32/19/562873219.db2.gz JCLBYIYWXRZBNK-AREMUKBSSA-N 1 2 523.662 5.423 1 0 KKAFLO CC(=O)c1c(C)[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000203796028 562874158 /nfs/dbraw/zinc/87/41/58/562874158.db2.gz HMZWIRDNONHJDT-UHFFFAOYSA-N 1 2 536.463 6.316 1 0 KKAFLO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(-c5ccc(N(C)C)[nH+]c5)c4)o3)nc2s1 ZINC000205676691 562875668 /nfs/dbraw/zinc/87/56/68/562875668.db2.gz XZGFIBNUJIXDKZ-UHFFFAOYSA-N 1 2 527.606 5.928 1 0 KKAFLO Cc1ccc(Cl)cc1N1C(=O)c2nn(C(=O)N3CC[NH+](C)CC3)c(C(C)C)c2[C@@H]1c1ccc(Cl)cc1C ZINC000206100018 562876274 /nfs/dbraw/zinc/87/62/74/562876274.db2.gz MVJPAODGJWVCNG-SANMLTNESA-N 1 2 540.495 5.895 1 0 KKAFLO C[N@@H+]1CCC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)C1 ZINC000206165113 562876401 /nfs/dbraw/zinc/87/64/01/562876401.db2.gz PFMADQJLBKAMCP-UHFFFAOYSA-N 1 2 524.568 5.835 1 0 KKAFLO C[N@H+]1CCC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc32)C1 ZINC000206165113 562876402 /nfs/dbraw/zinc/87/64/02/562876402.db2.gz PFMADQJLBKAMCP-UHFFFAOYSA-N 1 2 524.568 5.835 1 0 KKAFLO C[NH+]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000219345397 562878053 /nfs/dbraw/zinc/87/80/53/562878053.db2.gz DOCSOGHWTFJMLQ-UHFFFAOYSA-N 1 2 532.019 5.883 1 0 KKAFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1 ZINC000219556743 562878269 /nfs/dbraw/zinc/87/82/69/562878269.db2.gz IGBFRJGBHUMYIT-HHHXNRCGSA-N 1 2 508.836 6.804 1 0 KKAFLO CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)(O[C@@H](OC(=O)CC)C(C)C)O[C@H](OC(=O)CC)C(C)C ZINC000253638470 562882479 /nfs/dbraw/zinc/88/24/79/562882479.db2.gz PCIXYACOCPEPNF-ROHVFRRVSA-N 1 2 690.771 5.978 1 0 KKAFLO COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCCn3cc[nH+]c3)[nH]c-2cc1=O ZINC000299833642 562886214 /nfs/dbraw/zinc/88/62/14/562886214.db2.gz HYALAJBLJSPKHA-UHFFFAOYSA-N 1 2 509.570 5.039 1 0 KKAFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2nc3sccc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299838502 562887846 /nfs/dbraw/zinc/88/78/46/562887846.db2.gz MXAJFOPGFFRKFT-UHFFFAOYSA-N 1 2 619.669 7.393 1 0 KKAFLO CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3cc[nH+]cc3)cc(Oc3ccc(F)cc3)c2)CC1 ZINC000299855687 562891706 /nfs/dbraw/zinc/89/17/06/562891706.db2.gz BGDQNJZBOQYYEC-UHFFFAOYSA-N 1 2 507.606 6.990 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859464 562892716 /nfs/dbraw/zinc/89/27/16/562892716.db2.gz XTAWWFMNDKGXAZ-JOCHJYFZSA-N 1 2 512.044 6.170 1 0 KKAFLO Cc1ccc(N(CCCN2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859464 562892717 /nfs/dbraw/zinc/89/27/17/562892717.db2.gz XTAWWFMNDKGXAZ-JOCHJYFZSA-N 1 2 512.044 6.170 1 0 KKAFLO COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccccc5)c[nH+]c4N4CCSCC4)nn3)on2)cc(OC)c1OC ZINC000299867742 562894935 /nfs/dbraw/zinc/89/49/35/562894935.db2.gz YRUPBQYKNFAXIP-UHFFFAOYSA-N 1 2 614.728 5.339 1 0 KKAFLO COc1cccc(OC)c1-c1cc(C[NH2+][C@H](C(=O)[O-])C2CCCCC2)nn1-c1cc[nH+]c2cc(Cl)ccc21 ZINC000299869173 562895286 /nfs/dbraw/zinc/89/52/86/562895286.db2.gz UCPIZCJXHXRCNC-NDEPHWFRSA-N 1 2 535.044 5.881 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CO)C2CCCCC2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000473115539 562899034 /nfs/dbraw/zinc/89/90/34/562899034.db2.gz UFTJDLKPOPTRCG-OUYGKKDFSA-N 1 2 666.856 5.202 1 0 KKAFLO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3C(F)(F)F)cc1)CC2 ZINC000473136417 562901055 /nfs/dbraw/zinc/90/10/55/562901055.db2.gz RDFQYWCPFMTLMP-UHFFFAOYSA-N 1 2 639.696 6.377 1 0 KKAFLO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3C(F)(F)F)cc1)CC2 ZINC000473136417 562901056 /nfs/dbraw/zinc/90/10/56/562901056.db2.gz RDFQYWCPFMTLMP-UHFFFAOYSA-N 1 2 639.696 6.377 1 0 KKAFLO Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4[nH]c(C)[nH+]c4c3)c3cccc(F)c3)c(Cl)c2)n1 ZINC000473154408 562902159 /nfs/dbraw/zinc/90/21/59/562902159.db2.gz HERLNGSHQVSJKT-FQEVSTJZSA-N 1 2 523.399 5.768 1 0 KKAFLO Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4[nH+]c(C)[nH]c4c3)c3cccc(F)c3)c(Cl)c2)n1 ZINC000473154408 562902160 /nfs/dbraw/zinc/90/21/60/562902160.db2.gz HERLNGSHQVSJKT-FQEVSTJZSA-N 1 2 523.399 5.768 1 0 KKAFLO Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)c3ccccc3)c(Cl)c2)n1 ZINC000473155311 562902426 /nfs/dbraw/zinc/90/24/26/562902426.db2.gz ROGMQNZMQLOXHY-FQEVSTJZSA-N 1 2 519.436 5.938 1 0 KKAFLO CC(=O)c1c[nH+]c2cc(F)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473198770 562903773 /nfs/dbraw/zinc/90/37/73/562903773.db2.gz WERAXNDZVUHFNC-JCNLHEQBSA-N 1 2 504.433 6.210 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000473213497 562903863 /nfs/dbraw/zinc/90/38/63/562903863.db2.gz QZNPHEDOLUEBNA-UHFFFAOYSA-N 1 2 521.448 6.316 1 0 KKAFLO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000653665248 562906000 /nfs/dbraw/zinc/90/60/00/562906000.db2.gz YGAIJYFDRDKSCA-UHFFFAOYSA-N 1 2 567.675 5.212 1 0 KKAFLO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCOCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653668889 562906054 /nfs/dbraw/zinc/90/60/54/562906054.db2.gz RQHVRWVZEKQIMD-UHFFFAOYSA-N 1 2 579.484 5.849 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(OC[C@H]5CCCN(C(=O)OC(C)(C)C)C5)c4)nc(C)[nH+]3)cc12 ZINC000653671262 562906142 /nfs/dbraw/zinc/90/61/42/562906142.db2.gz DUEPTQHWTWJJTR-UPVQGACJSA-N 1 2 556.707 7.706 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@H](C)c4cccc(OC[C@H]5CCCN(C(=O)OC(C)(C)C)C5)c4)nc(C)[nH+]3)cc12 ZINC000653671263 562906156 /nfs/dbraw/zinc/90/61/56/562906156.db2.gz DUEPTQHWTWJJTR-VWNXMTODSA-N 1 2 556.707 7.706 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCC(F)CC6)nc5)c4)nc(C)[nH+]3)cc12 ZINC000653684986 562906471 /nfs/dbraw/zinc/90/64/71/562906471.db2.gz AGXIBZWLMDPYDU-FQEVSTJZSA-N 1 2 522.628 7.075 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653714297 562908378 /nfs/dbraw/zinc/90/83/78/562908378.db2.gz XTHFKSGQJGECGR-UHFFFAOYSA-N 1 2 598.711 5.750 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653714252 562908407 /nfs/dbraw/zinc/90/84/07/562908407.db2.gz IRSIXMZKWGJBDL-UHFFFAOYSA-N 1 2 644.736 5.725 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=S)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653748855 562910533 /nfs/dbraw/zinc/91/05/33/562910533.db2.gz YOKNOJUOHOOMSK-DEOSSOPVSA-N 1 2 585.781 7.261 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NC[C@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653751555 562910695 /nfs/dbraw/zinc/91/06/95/562910695.db2.gz SJDPXOCKEUCGCI-PMERELPUSA-N 1 2 571.685 5.656 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NCC[NH+]3CCCC3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653751557 562910746 /nfs/dbraw/zinc/91/07/46/562910746.db2.gz UMXDYWASOWPJRM-UHFFFAOYSA-N 1 2 654.837 6.244 1 0 KKAFLO Cc1cc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)c[nH+]c1N1CCOCC1 ZINC000653755692 562910956 /nfs/dbraw/zinc/91/09/56/562910956.db2.gz TWERWRHJFSZXMA-UHFFFAOYSA-N 1 2 562.070 7.013 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C(C)C)[NH+]=C3N=CNN32)cc1 ZINC000653758680 562911176 /nfs/dbraw/zinc/91/11/76/562911176.db2.gz PSYYEPCJBNYYRI-LJAQVGFWSA-N 1 2 530.636 5.359 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1Oc1cccc(F)c1)Cc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC000653760790 562911308 /nfs/dbraw/zinc/91/13/08/562911308.db2.gz BMWBWECXZDQPMO-MHZLTWQESA-N 1 2 518.560 6.354 1 0 KKAFLO Cc1ccc(NC(=O)C2=C(C(C)C)[NH+]=C3N=CNN3[C@H]2c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc1 ZINC000653765603 562911632 /nfs/dbraw/zinc/91/16/32/562911632.db2.gz MKKNMQKKIGVAEU-NDEPHWFRSA-N 1 2 534.599 5.190 1 0 KKAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)nc(NC3CCCCC3)[nH+]2)C(F)(F)F)n1 ZINC000653790376 562912593 /nfs/dbraw/zinc/91/25/93/562912593.db2.gz DPLKYMPQVFRMOZ-WNCULLNHSA-N 1 2 648.130 6.084 1 0 KKAFLO O=C(NCC[NH+]1CCOCC1)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 ZINC000653857952 562915825 /nfs/dbraw/zinc/91/58/25/562915825.db2.gz LXVQPXNSHGAJCM-UHFFFAOYSA-N 1 2 551.022 5.199 1 0 KKAFLO COCc1c(C(=O)OCc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CC[NH+](Cc4ccccc4)CC3)cc2n1Cc1ccc(Cl)cc1 ZINC000653899250 562917439 /nfs/dbraw/zinc/91/74/39/562917439.db2.gz BQYKNDVQGYSRSC-UHFFFAOYSA-N 1 2 674.600 7.321 1 0 KKAFLO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccc(Cl)cc2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000653909248 562917671 /nfs/dbraw/zinc/91/76/71/562917671.db2.gz LIMPNIDTOQNBJR-UHFFFAOYSA-N 1 2 554.449 5.605 1 0 KKAFLO CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCC[C@@H](O)C=Cc4ccccc4)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=[NH+]1 ZINC000150350057 565202586 /nfs/dbraw/zinc/20/25/86/565202586.db2.gz NHDJZXAKSJDLAY-FFCRAILESA-N 1 2 656.755 7.852 1 0 biogenic,in-vitro KKAFLO CCC/C=C1\OC(=O)C2=C([C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(C5(CC)CCCC5)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571167 291919343 /nfs/dbraw/zinc/91/93/43/291919343.db2.gz QUTRCUISCYYHOL-JOTLERPLSA-N 1 2 675.826 6.744 1 0 biogenic,in-vitro KKAFLO COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)c(-c2cc[nH+]c(N)c2)cc1O ZINC000085629421 291969519 /nfs/dbraw/zinc/96/95/19/291969519.db2.gz ZRZJKQSNHNUDST-SHQCIBLASA-N 1 2 512.647 5.592 1 0 biogenic,in-vitro KKAFLO CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4c[nH+]cn4CCC)cc2)CCN3CC(C)C)cc1 ZINC000003951942 561690579 /nfs/dbraw/zinc/69/05/79/561690579.db2.gz RRVNVNTZDUESSJ-GGCSAXROSA-N 1 2 682.931 8.352 1 0 in-vitro KKAFLO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5[nH]c6ccc(C)cc6[nH+]5)[C@@]4(C)CC[C@@H]32)C1 ZINC000005542959 561696376 /nfs/dbraw/zinc/69/63/76/561696376.db2.gz JRIXXSPBRNQPKM-RINFWTJJSA-N 1 2 504.759 8.031 1 0 KKAFLO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5[nH]c6cc(C)ccc6[nH+]5)[C@@]4(C)CC[C@@H]32)C1 ZINC000005542959 561696378 /nfs/dbraw/zinc/69/63/78/561696378.db2.gz JRIXXSPBRNQPKM-RINFWTJJSA-N 1 2 504.759 8.031 1 0 KKAFLO CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCCCC5)[nH+]c(N5CCCCC5)n4)cc3s2)cc1 ZINC000005949159 561700498 /nfs/dbraw/zinc/70/04/98/561700498.db2.gz UNISJYONOYUCGF-UHFFFAOYSA-N 1 2 604.806 6.335 1 0 KKAFLO Cn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CO2 ZINC000013489493 561715871 /nfs/dbraw/zinc/71/58/71/561715871.db2.gz UKMSOESJBYSCKH-MHZLTWQESA-N 1 2 504.373 5.343 1 0 KKAFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CO2 ZINC000013489492 561715910 /nfs/dbraw/zinc/71/59/10/561715910.db2.gz UKMSOESJBYSCKH-HHHXNRCGSA-N 1 2 504.373 5.343 1 0 KKAFLO O=C(NCc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1)c1ccccn1 ZINC000013971734 561735916 /nfs/dbraw/zinc/73/59/16/561735916.db2.gz AZNHTGDMBGMJKB-MUUNZHRXSA-N 1 2 502.622 5.363 1 0 KKAFLO O=C(NCc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1)c1ccccn1 ZINC000013971734 561735917 /nfs/dbraw/zinc/73/59/17/561735917.db2.gz AZNHTGDMBGMJKB-MUUNZHRXSA-N 1 2 502.622 5.363 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)c3ccccc23)cc1 ZINC000016052395 561753850 /nfs/dbraw/zinc/75/38/50/561753850.db2.gz KAZMQKPLIPWQNO-UHFFFAOYSA-N 1 2 574.729 7.170 1 0 KKAFLO Nc1[nH+]c(Nc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F ZINC000014945649 561743171 /nfs/dbraw/zinc/74/31/71/561743171.db2.gz XDTBOTLRLUAYPK-UHFFFAOYSA-N 1 2 584.648 6.308 1 0 KKAFLO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545755 561755983 /nfs/dbraw/zinc/75/59/83/561755983.db2.gz IVIQLQYHGWCLME-RPBOFIJWSA-N 1 2 607.700 5.033 3 0 KKAFLO COc1cc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545833 561756155 /nfs/dbraw/zinc/75/61/55/561756155.db2.gz CVEWLSOQFGTQPI-CLJLJLNGSA-N 1 2 620.743 5.091 3 0 KKAFLO Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000017546111 561756237 /nfs/dbraw/zinc/75/62/37/561756237.db2.gz GYBXVYMSQAXYHC-UHFFFAOYSA-N 1 2 545.521 6.063 3 0 KKAFLO C[N@@H+]1C[C@H](c2c[nH]c3c2c(O)cc(Br)c3Br)NC[C@H]1c1c[nH]c2cc(Br)ccc21 ZINC000022447401 561759042 /nfs/dbraw/zinc/75/90/42/561759042.db2.gz AUJKXAIGSXKZBR-SJORKVTESA-N 1 2 583.122 5.960 1 0 KKAFLO C[N@H+]1C[C@H](c2c[nH]c3c2c(O)cc(Br)c3Br)NC[C@H]1c1c[nH]c2cc(Br)ccc21 ZINC000022447401 561759044 /nfs/dbraw/zinc/75/90/44/561759044.db2.gz AUJKXAIGSXKZBR-SJORKVTESA-N 1 2 583.122 5.960 1 0 KKAFLO CN1C[C@H](c2c[nH]c3c2c(O)cc(Br)c3Br)[NH2+]C[C@H]1c1c[nH]c2cc(Br)ccc21 ZINC000022447401 561759045 /nfs/dbraw/zinc/75/90/45/561759045.db2.gz AUJKXAIGSXKZBR-SJORKVTESA-N 1 2 583.122 5.960 1 0 KKAFLO Cc1[nH+]c[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1CCc1ccccc1 ZINC000025982338 561763991 /nfs/dbraw/zinc/76/39/91/561763991.db2.gz OOQMUYRDXKMWLS-VWLOTQADSA-N 1 2 504.631 5.070 1 0 KKAFLO COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000026147416 561767310 /nfs/dbraw/zinc/76/73/10/561767310.db2.gz DULSCZBHTJBVAO-QNGWXLTQSA-N 1 2 652.832 8.083 1 0 KKAFLO CCOC(=O)COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](CC(=O)NC)C1)C(C)(C)O2 ZINC000026172860 561770295 /nfs/dbraw/zinc/77/02/95/561770295.db2.gz LYJKTXVWJYXEHH-NRFANRHFSA-N 1 2 552.687 5.270 1 0 KKAFLO CCOC(=O)COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](CC(=O)NC)C1)C(C)(C)O2 ZINC000026172860 561770297 /nfs/dbraw/zinc/77/02/97/561770297.db2.gz LYJKTXVWJYXEHH-NRFANRHFSA-N 1 2 552.687 5.270 1 0 KKAFLO COc1ccc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)cn1 ZINC000026576919 561800828 /nfs/dbraw/zinc/80/08/28/561800828.db2.gz GIQVPSQYEHMLRH-WPCLDFDBSA-N 1 2 592.828 7.470 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026651587 561808395 /nfs/dbraw/zinc/80/83/95/561808395.db2.gz IAGBXLVADMVFOS-VWLOTQADSA-N 1 2 554.115 6.837 1 0 KKAFLO O=C(Nc1ccc(C(=O)N2C[C@H]3CSCC[N@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026651587 561808397 /nfs/dbraw/zinc/80/83/97/561808397.db2.gz IAGBXLVADMVFOS-VWLOTQADSA-N 1 2 554.115 6.837 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cn1 ZINC000026830334 561822730 /nfs/dbraw/zinc/82/27/30/561822730.db2.gz RIECGSRTVPSRCE-UHFFFAOYSA-N 1 2 528.657 5.381 1 0 KKAFLO C=C1[NH+]=C(c2ccc(-n3c(C)nc4cnccc43)cc2)C(C(=O)OCC)[C@H](c2ccccc2Cl)C1C(=O)OC(C)(C)C ZINC000026835979 561824359 /nfs/dbraw/zinc/82/43/59/561824359.db2.gz YNSDOPBQSYBGFT-UAUHELFYSA-N 1 2 585.104 7.500 1 0 KKAFLO CCC[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995049 561833126 /nfs/dbraw/zinc/83/31/26/561833126.db2.gz HOBCNABKXVPKMF-UXMGRTHOSA-N 1 2 687.841 6.555 1 0 KKAFLO CCC[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995049 561833128 /nfs/dbraw/zinc/83/31/28/561833128.db2.gz HOBCNABKXVPKMF-UXMGRTHOSA-N 1 2 687.841 6.555 1 0 KKAFLO CN(CCc1ccccc1)C(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000027079762 561834901 /nfs/dbraw/zinc/83/49/01/561834901.db2.gz LPIMFHHFGNPCIE-BHVANESWSA-N 1 2 659.787 5.556 1 0 KKAFLO CN(CCc1ccccc1)C(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000027079762 561834902 /nfs/dbraw/zinc/83/49/02/561834902.db2.gz LPIMFHHFGNPCIE-BHVANESWSA-N 1 2 659.787 5.556 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000027207971 561846296 /nfs/dbraw/zinc/84/62/96/561846296.db2.gz CAWURJMSVWPYPY-SWKFRHMKSA-N 1 2 570.734 6.933 1 0 KKAFLO COc1cc(OC)c(C(=O)O[C@@H](CSc2ncnc3[nH]cnc32)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000027519540 561863159 /nfs/dbraw/zinc/86/31/59/561863159.db2.gz NHWYWTKUWFDDOD-HHHXNRCGSA-N 1 2 690.773 5.382 1 0 KKAFLO O[C@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520240 561863369 /nfs/dbraw/zinc/86/33/69/561863369.db2.gz XYXHIWPGWLEQOL-NRFANRHFSA-N 1 2 596.601 5.251 1 0 KKAFLO O[C@H](CSc1ncnc2[nH]cnc21)CN1CC[NH+](C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520240 561863371 /nfs/dbraw/zinc/86/33/71/561863371.db2.gz XYXHIWPGWLEQOL-NRFANRHFSA-N 1 2 596.601 5.251 1 0 KKAFLO S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1cc[nH+]c1 ZINC000027524119 561865539 /nfs/dbraw/zinc/86/55/39/561865539.db2.gz QIULUWOUGSWFIR-UHFFFAOYSA-N 1 2 556.361 5.299 1 0 KKAFLO S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1c[nH+]c[nH]1 ZINC000027524222 561865548 /nfs/dbraw/zinc/86/55/48/561865548.db2.gz JVUDMRCWRBXJRH-UHFFFAOYSA-N 1 2 556.361 5.368 1 0 KKAFLO S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1c[nH]c[nH+]1 ZINC000027524222 561865549 /nfs/dbraw/zinc/86/55/49/561865549.db2.gz JVUDMRCWRBXJRH-UHFFFAOYSA-N 1 2 556.361 5.368 1 0 KKAFLO CC(C)SC[C@H](O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027625635 561873116 /nfs/dbraw/zinc/87/31/16/561873116.db2.gz GBMATAYCACXBHU-BAPFKJLMSA-N 1 2 681.944 5.167 1 0 KKAFLO CC(C)SC[C@H](O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027625635 561873118 /nfs/dbraw/zinc/87/31/18/561873118.db2.gz GBMATAYCACXBHU-BAPFKJLMSA-N 1 2 681.944 5.167 1 0 KKAFLO COc1cc[nH+]cc1NC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000027880874 561889074 /nfs/dbraw/zinc/88/90/74/561889074.db2.gz BUTXAIUQXDDPQJ-UHFFFAOYSA-N 1 2 556.928 7.451 1 0 KKAFLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](O)COc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)CC1 ZINC000028100420 561901535 /nfs/dbraw/zinc/90/15/35/561901535.db2.gz JOSHHTVMOLVJCW-DEOSSOPVSA-N 1 2 582.623 5.126 1 0 KKAFLO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000028129213 561905370 /nfs/dbraw/zinc/90/53/70/561905370.db2.gz UBRKWDVBMWUPSI-FQLXRVMXSA-N 1 2 677.189 5.772 1 0 KKAFLO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000028129213 561905371 /nfs/dbraw/zinc/90/53/71/561905371.db2.gz UBRKWDVBMWUPSI-FQLXRVMXSA-N 1 2 677.189 5.772 1 0 KKAFLO CC[NH+](CC)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N[C@@H](C)CCc3ccccc3)c2F)c(C(=O)[O-])c1 ZINC000028525370 561931228 /nfs/dbraw/zinc/93/12/28/561931228.db2.gz USEPDDWZBZHNPR-FQEVSTJZSA-N 1 2 603.670 7.206 1 0 KKAFLO O=C(NCCCc1c[nH+]c[nH]1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569129 561937758 /nfs/dbraw/zinc/93/77/58/561937758.db2.gz DKBCPWSPMZLASX-PQHLKRTFSA-N 1 2 669.068 5.186 1 0 KKAFLO O=C(NCCCc1c[nH]c[nH+]1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569129 561937760 /nfs/dbraw/zinc/93/77/60/561937760.db2.gz DKBCPWSPMZLASX-PQHLKRTFSA-N 1 2 669.068 5.186 1 0 KKAFLO Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)[nH+]1 ZINC000028571614 561939384 /nfs/dbraw/zinc/93/93/84/561939384.db2.gz FFLKDRNRIQMTCA-UHFFFAOYSA-N 1 2 579.551 5.209 1 0 KKAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000028572366 561940055 /nfs/dbraw/zinc/94/00/55/561940055.db2.gz HQDNURJWABRGRP-HHHXNRCGSA-N 1 2 506.528 5.825 1 0 KKAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@H](C)c4cccc(Br)c4)cc[nH]c3=O)[nH]c21 ZINC000028703584 561947849 /nfs/dbraw/zinc/94/78/49/561947849.db2.gz NCWNPKMGACZKLI-INIZCTEOSA-N 1 2 503.404 5.390 1 0 KKAFLO Clc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5ccc(Cl)cc5)c3)C4)ccn2)cc1 ZINC000028707575 561950068 /nfs/dbraw/zinc/95/00/68/561950068.db2.gz ATTHGFVAAHKHBA-HNRBIFIRSA-N 1 2 515.488 6.966 1 0 KKAFLO Clc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5ccc(Cl)cc5)c3)C4)ccn2)cc1 ZINC000028707575 561950070 /nfs/dbraw/zinc/95/00/70/561950070.db2.gz ATTHGFVAAHKHBA-HNRBIFIRSA-N 1 2 515.488 6.966 1 0 KKAFLO COc1cc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5cc(OC)c(OC)c(OC)c5)c3)C4)ccn2)cc(OC)c1OC ZINC000028707550 561950108 /nfs/dbraw/zinc/95/01/08/561950108.db2.gz SZXUJNXXESUELF-HNRBIFIRSA-N 1 2 626.754 5.711 1 0 KKAFLO COc1cc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5cc(OC)c(OC)c(OC)c5)c3)C4)ccn2)cc(OC)c1OC ZINC000028707550 561950109 /nfs/dbraw/zinc/95/01/09/561950109.db2.gz SZXUJNXXESUELF-HNRBIFIRSA-N 1 2 626.754 5.711 1 0 KKAFLO COc1cccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5cccc(OC)c5)c3)C4)ccn2)c1 ZINC000028707555 561950128 /nfs/dbraw/zinc/95/01/28/561950128.db2.gz MUSWRKUJYWYWJO-HNRBIFIRSA-N 1 2 506.650 5.677 1 0 KKAFLO COc1cccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5cccc(OC)c5)c3)C4)ccn2)c1 ZINC000028707555 561950130 /nfs/dbraw/zinc/95/01/30/561950130.db2.gz MUSWRKUJYWYWJO-HNRBIFIRSA-N 1 2 506.650 5.677 1 0 KKAFLO CCCCCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713060 561953746 /nfs/dbraw/zinc/95/37/46/561953746.db2.gz GEPSCWZNTGZWFP-XIFFEERXSA-N 1 2 606.693 5.390 1 0 KKAFLO COc1ccc(C2=CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028768363 561960205 /nfs/dbraw/zinc/96/02/05/561960205.db2.gz RUCUIYWINQCEFF-UHFFFAOYSA-N 1 2 503.524 6.935 1 0 KKAFLO Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028768640 561960483 /nfs/dbraw/zinc/96/04/83/561960483.db2.gz RIKJCJCCOCQZGA-UHFFFAOYSA-N 1 2 533.554 6.296 1 0 KKAFLO COc1ccc(CNC(=O)c2ccc([C@H]3c4[nH]c[nH+]c4CCN3Cc3cccc(Cl)c3Cl)cc2)cc1 ZINC000028820380 561966019 /nfs/dbraw/zinc/96/60/19/561966019.db2.gz XWZLOENAKILRNI-MHZLTWQESA-N 1 2 521.448 5.803 1 0 KKAFLO Cc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@H](NC(=O)Oc1ccccc1F)c1ccccc1 ZINC000028821691 561966539 /nfs/dbraw/zinc/96/65/39/561966539.db2.gz LVGPJSBRMDHIRR-HKBQPEDESA-N 1 2 547.674 8.755 1 0 KKAFLO Cc1cccc(C)c1NC(=O)NCC1(O)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822141 561966713 /nfs/dbraw/zinc/96/67/13/561966713.db2.gz KCGQWTAZKYLWJH-UHFFFAOYSA-N 1 2 586.958 6.447 1 0 KKAFLO Cn1cnc(S(=O)(=O)N(CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816057 561963785 /nfs/dbraw/zinc/96/37/85/561963785.db2.gz FNBOSUPZXXYWTE-WJOKGBTCSA-N 1 2 659.857 5.090 1 0 KKAFLO COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028863123 561972074 /nfs/dbraw/zinc/97/20/74/561972074.db2.gz OERKAHBQXWNXSP-OAQYLSRUSA-N 1 2 620.628 5.704 1 0 KKAFLO COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028863123 561972076 /nfs/dbraw/zinc/97/20/76/561972076.db2.gz OERKAHBQXWNXSP-OAQYLSRUSA-N 1 2 620.628 5.704 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)cn3)c3ccccc23)cc1 ZINC000028899800 561979655 /nfs/dbraw/zinc/97/96/55/561979655.db2.gz BBOPRMNMLDLRKQ-UHFFFAOYSA-N 1 2 574.729 7.170 1 0 KKAFLO Cc1sc(NC(=O)c2ccc(Nc3cc(N(C)C)[nH+]cn3)cc2)nc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000028952864 561982209 /nfs/dbraw/zinc/98/22/09/561982209.db2.gz LNFOWBSRYNOJJG-UHFFFAOYSA-N 1 2 516.524 6.128 1 0 KKAFLO O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cc(NCCO)[nH+]cn2)cc1 ZINC000028952849 561982253 /nfs/dbraw/zinc/98/22/53/561982253.db2.gz SVGQXNOYODLECF-UHFFFAOYSA-N 1 2 518.496 5.158 1 0 KKAFLO COc1cc(C(=O)N2CC[C@]3(C=C(c4[nH]cc[nH+]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962502 561984615 /nfs/dbraw/zinc/98/46/15/561984615.db2.gz DZOHITITCCWYRX-YTTGMZPUSA-N 1 2 571.052 6.920 1 0 KKAFLO Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)c5cccc(C[NH+]6CCOCC6)c5)c(C)c34)c2F)[nH]1 ZINC000029134194 562003929 /nfs/dbraw/zinc/00/39/29/562003929.db2.gz YMNCKRDCZITIBH-HXUWFJFHSA-N 1 2 573.625 5.215 1 0 KKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755075 562037625 /nfs/dbraw/zinc/03/76/25/562037625.db2.gz CBNGIDPDOUWHDP-FGZHOGPDSA-N 1 2 515.760 7.043 1 0 KKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755077 562037629 /nfs/dbraw/zinc/03/76/29/562037629.db2.gz CBNGIDPDOUWHDP-YADHBBJMSA-N 1 2 515.760 7.043 1 0 KKAFLO CO[C@@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000034026226 562038095 /nfs/dbraw/zinc/03/80/95/562038095.db2.gz KLAKGOQSJUBOMS-NDEPHWFRSA-N 1 2 504.417 6.184 1 0 KKAFLO Cn1c2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2[nH+]c1Nc1ccc(C(C)(C)C)cc1 ZINC000034983162 562044185 /nfs/dbraw/zinc/04/41/85/562044185.db2.gz JSLFPRZIKITLJX-UHFFFAOYSA-N 1 2 506.532 7.211 1 0 KKAFLO Cc1ccccc1NC(=O)N(C)Cc1ccc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1 ZINC000036338842 562057199 /nfs/dbraw/zinc/05/71/99/562057199.db2.gz DTQAVOXWSGVMDD-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO Cc1ccccc1NC(=O)N(C)Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)s1 ZINC000036338842 562057203 /nfs/dbraw/zinc/05/72/03/562057203.db2.gz DTQAVOXWSGVMDD-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO Cc1ccccc1NC(=O)N(C)Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1 ZINC000036338842 562057204 /nfs/dbraw/zinc/05/72/04/562057204.db2.gz DTQAVOXWSGVMDD-UHFFFAOYSA-N 1 2 526.710 5.429 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3[nH]nc4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)cs2)c1 ZINC000036338820 562057335 /nfs/dbraw/zinc/05/73/35/562057335.db2.gz FGUXNWBQWGWWLI-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3n[nH]c4c3Cc3ccc(C[NH+]5CCN(C)CC5)cc3-4)cs2)c1 ZINC000036338820 562057337 /nfs/dbraw/zinc/05/73/37/562057337.db2.gz FGUXNWBQWGWWLI-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)NCc2cc(-c3[nH]nc4c3Cc3ccc(C[NH+]5CCN(C)CC5)cc3-4)cs2)c1 ZINC000036338820 562057339 /nfs/dbraw/zinc/05/73/39/562057339.db2.gz FGUXNWBQWGWWLI-UHFFFAOYSA-N 1 2 512.683 5.087 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)CC(C)C)c1 ZINC000036338850 562057389 /nfs/dbraw/zinc/05/73/89/562057389.db2.gz CODNFAROPXKNHK-UHFFFAOYSA-N 1 2 568.791 6.455 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)s2)CC(C)C)c1 ZINC000036338850 562057390 /nfs/dbraw/zinc/05/73/90/562057390.db2.gz CODNFAROPXKNHK-UHFFFAOYSA-N 1 2 568.791 6.455 1 0 KKAFLO Cc1cccc(NC(=O)N(Cc2ccc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)CC(C)C)c1 ZINC000036338850 562057391 /nfs/dbraw/zinc/05/73/91/562057391.db2.gz CODNFAROPXKNHK-UHFFFAOYSA-N 1 2 568.791 6.455 1 0 KKAFLO O=C1[C@H](Cc2ccccc2)Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Cl)cc1 ZINC000036382447 562059866 /nfs/dbraw/zinc/05/98/66/562059866.db2.gz AHHDKULSHYIHSR-SANMLTNESA-N 1 2 525.056 5.027 3 0 KKAFLO CN1CC[NH+](Cc2ccc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3n2)CC1 ZINC000038149729 562066220 /nfs/dbraw/zinc/06/62/20/562066220.db2.gz YLNMKOAPZKIZAU-UHFFFAOYSA-N 1 2 502.043 5.063 1 0 KKAFLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372496 562071404 /nfs/dbraw/zinc/07/14/04/562071404.db2.gz HDGVZUWMGHDPLU-JDXGNMNLSA-N 1 2 669.068 5.117 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000040394743 562074186 /nfs/dbraw/zinc/07/41/86/562074186.db2.gz URJAQUYCRCFSSV-GDLZYMKVSA-N 1 2 518.444 6.493 1 0 KKAFLO CCC(=O)O[C@@H](Cc1ccccc1)C[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040421929 562075900 /nfs/dbraw/zinc/07/59/00/562075900.db2.gz MZRKRGQEXLPPNW-PMERELPUSA-N 1 2 521.652 5.675 1 0 KKAFLO CC(C)OC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040424348 562076427 /nfs/dbraw/zinc/07/64/27/562076427.db2.gz OSMQTOMAOXOVFV-UHFFFAOYSA-N 1 2 501.630 7.443 1 0 KKAFLO CCC1C=C(c2cccc([C@H](COC)Cc3c(O)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=[NH+]1 ZINC000103533139 560050925 /nfs/dbraw/zinc/05/09/25/560050925.db2.gz IYORZYOHUUKIDT-VWLOTQADSA-N 1 2 598.672 5.957 1 0 biogenic,in-vitro KKAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(O)c-3c2=O)O[C@@]1(C)[C@H](CCc1ccccc1)Cc1ccc(N)[nH+]c1 ZINC000085595264 560064172 /nfs/dbraw/zinc/06/41/72/560064172.db2.gz GKCRQURJRWWRKZ-BCXWOKJKSA-N 1 2 584.669 5.031 1 0 biogenic,in-vitro KKAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3cc2O[C@@]1(C)[C@H](CCc1ccccc1)Cc1ccc(N)[nH+]c1 ZINC000085595264 560064174 /nfs/dbraw/zinc/06/41/74/560064174.db2.gz GKCRQURJRWWRKZ-BCXWOKJKSA-N 1 2 584.669 5.031 1 0 biogenic,in-vitro KKAFLO C[C@H](Nc1cc(N2CCCCCC2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043069347 562645457 /nfs/dbraw/zinc/64/54/57/562645457.db2.gz MTNNRBLKDSRESF-YADARESESA-N 1 2 513.911 7.100 1 0 KKAFLO C[C@H](Nc1cc(N2CCCCCC2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043069347 562645458 /nfs/dbraw/zinc/64/54/58/562645458.db2.gz MTNNRBLKDSRESF-YADARESESA-N 1 2 513.911 7.100 1 0 KKAFLO CC(C)CCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc[nH+]1 ZINC000043067870 562645469 /nfs/dbraw/zinc/64/54/69/562645469.db2.gz WFRDKBCARSOIBO-FDDCHVKYSA-N 1 2 501.900 7.177 1 0 KKAFLO CC(C)CCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]cn1 ZINC000043067870 562645470 /nfs/dbraw/zinc/64/54/70/562645470.db2.gz WFRDKBCARSOIBO-FDDCHVKYSA-N 1 2 501.900 7.177 1 0 KKAFLO C[C@H](NC(=O)c1ccc(CN2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079725 562645833 /nfs/dbraw/zinc/64/58/33/562645833.db2.gz KYIFZXJUWBRQGE-RTWAWAEBSA-N 1 2 550.497 5.375 1 0 KKAFLO C[C@H](NC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079725 562645834 /nfs/dbraw/zinc/64/58/34/562645834.db2.gz KYIFZXJUWBRQGE-RTWAWAEBSA-N 1 2 550.497 5.375 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000043100211 562645882 /nfs/dbraw/zinc/64/58/82/562645882.db2.gz VDGCNOYTIPMBBA-GNSPLJBXSA-N 1 2 614.808 6.883 1 0 KKAFLO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000043100211 562645883 /nfs/dbraw/zinc/64/58/83/562645883.db2.gz VDGCNOYTIPMBBA-GNSPLJBXSA-N 1 2 614.808 6.883 1 0 KKAFLO C[C@H](Nc1cc(NCc2ccccn2)nc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043121877 562646221 /nfs/dbraw/zinc/64/62/21/562646221.db2.gz LLYRFZGLUCVELT-MHECFPHRSA-N 1 2 522.878 6.727 1 0 KKAFLO C[C@H](Nc1cc(NCc2ccccn2)[nH+]cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043121877 562646222 /nfs/dbraw/zinc/64/62/22/562646222.db2.gz LLYRFZGLUCVELT-MHECFPHRSA-N 1 2 522.878 6.727 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(NC(=O)c5cccc(C(F)(F)F)c5)nn(C)c4c3)c2cc1OC ZINC000043200299 562646885 /nfs/dbraw/zinc/64/68/85/562646885.db2.gz VCBGNDQGKNIBBK-UHFFFAOYSA-N 1 2 522.483 6.202 1 0 KKAFLO C[N@@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 ZINC000043207902 562647156 /nfs/dbraw/zinc/64/71/56/562647156.db2.gz XRFFHVGNVUYEAU-YZOCIHGVSA-N 1 2 568.668 5.364 1 0 KKAFLO C[N@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 ZINC000043207902 562647157 /nfs/dbraw/zinc/64/71/57/562647157.db2.gz XRFFHVGNVUYEAU-YZOCIHGVSA-N 1 2 568.668 5.364 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nn1)OC1CCCC1 ZINC000043543948 562649545 /nfs/dbraw/zinc/64/95/45/562649545.db2.gz SNCOVBXNAARXIF-HEVIKAOCSA-N 1 2 636.797 5.389 1 0 KKAFLO COc1cc2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2 ZINC000044086846 562652237 /nfs/dbraw/zinc/65/22/37/562652237.db2.gz HUUXXMNWOPUALW-SANMLTNESA-N 1 2 546.623 6.764 1 0 biogenic,in-vitro KKAFLO COc1cc2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2 ZINC000044086846 562652238 /nfs/dbraw/zinc/65/22/38/562652238.db2.gz HUUXXMNWOPUALW-SANMLTNESA-N 1 2 546.623 6.764 1 0 biogenic,in-vitro KKAFLO c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(-c2cc3ccccc3o2)c(-c2ccccc2)c1 ZINC000044386264 562655847 /nfs/dbraw/zinc/65/58/47/562655847.db2.gz WCBVTLVLYOGXQM-UHFFFAOYSA-N 1 2 531.659 9.291 1 0 KKAFLO c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(-c2nc3ccccc3o2)c(-c2ccccc2)c1 ZINC000044404089 562656388 /nfs/dbraw/zinc/65/63/88/562656388.db2.gz SAFFWSWZQCPPPP-UHFFFAOYSA-N 1 2 532.647 8.686 1 0 KKAFLO CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)s3)cc1F)CC[N@H+](C)CC2 ZINC000045202456 562659141 /nfs/dbraw/zinc/65/91/41/562659141.db2.gz JVFMPEUUYBJTCA-UHFFFAOYSA-N 1 2 509.068 5.826 1 0 KKAFLO CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)s3)cc1F)CC[N@@H+](C)CC2 ZINC000045202456 562659142 /nfs/dbraw/zinc/65/91/42/562659142.db2.gz JVFMPEUUYBJTCA-UHFFFAOYSA-N 1 2 509.068 5.826 1 0 KKAFLO COc1cc(OC)cc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000045358059 562661947 /nfs/dbraw/zinc/66/19/47/562661947.db2.gz RPLRXHLXRQIHHQ-UUWRZZSWSA-N 1 2 520.673 6.160 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2cc1OC ZINC000045496778 562662699 /nfs/dbraw/zinc/66/26/99/562662699.db2.gz CKRJSIFFXMHDSE-UHFFFAOYSA-N 1 2 519.504 5.680 1 0 KKAFLO Cc1c(Cl)cccc1-c1cc(=O)n(C)c2ccc([C@@](O)(c3c[nH+]cn3C)c3ccc(Cl)cc3)cc12 ZINC000049125192 562664722 /nfs/dbraw/zinc/66/47/22/562664722.db2.gz WXGAEOKBYIMZFF-MUUNZHRXSA-N 1 2 504.417 5.838 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4cc(-c5cccnc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049694514 562669401 /nfs/dbraw/zinc/66/94/01/562669401.db2.gz DKVMKJCVCCLKAD-UHFFFAOYSA-N 1 2 571.593 5.905 1 0 KKAFLO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2ccc(F)c(F)c2)cc(=O)c2ccccc21 ZINC000049710765 562671777 /nfs/dbraw/zinc/67/17/77/562671777.db2.gz NMXPQYSZNQDZBG-UHFFFAOYSA-N 1 2 675.742 8.121 1 0 KKAFLO CC(C)N(C(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c(C(=O)c2ccccc2)c1)C(C)C ZINC000049757456 562676034 /nfs/dbraw/zinc/67/60/34/562676034.db2.gz GLWLQKDYKAXIRO-SSEXGKCCSA-N 1 2 555.723 5.496 1 0 KKAFLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761882 562676182 /nfs/dbraw/zinc/67/61/82/562676182.db2.gz DROQHOIPSJIPET-JGCGQSQUSA-N 1 2 546.671 5.026 1 0 KKAFLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761940 562676256 /nfs/dbraw/zinc/67/62/56/562676256.db2.gz KCDLNXYAMQIANP-PSXMRANNSA-N 1 2 708.862 5.429 1 0 KKAFLO CC(C)n1c[nH+]c(CCNc2nc3c(ncn3[C@@H]3C[C@H](NC(=O)CCc4ccccc4)[C@@H](O)[C@H]3O)c(NCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000049763138 562676876 /nfs/dbraw/zinc/67/68/76/562676876.db2.gz SFJJRUJFKBGBCP-MUPSXSOUSA-N 1 2 713.887 5.287 1 0 KKAFLO O=C(Nc1ccccc1)N(c1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CC[C@H](CN(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1 ZINC000049776331 562679371 /nfs/dbraw/zinc/67/93/71/562679371.db2.gz VIGDRXGMJIQJQK-FREGXXQWSA-N 1 2 708.514 7.657 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049778283 562681128 /nfs/dbraw/zinc/68/11/28/562681128.db2.gz HOJJPFAVIQOXGJ-FIBWVYCGSA-N 1 2 722.541 8.047 1 0 KKAFLO C[C@H](O)CNc1nc(-n2ccnc2C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[nH+]1 ZINC000049781257 562682852 /nfs/dbraw/zinc/68/28/52/562682852.db2.gz UPSKPAPDLKEKDD-AWEZNQCLSA-N 1 2 559.936 5.002 1 0 KKAFLO CCO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049783884 562683281 /nfs/dbraw/zinc/68/32/81/562683281.db2.gz RLEIUACHRMVYEO-SSEXGKCCSA-N 1 2 532.471 6.883 1 0 KKAFLO CO[C@](c1c[nH+]cn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(C(F)(F)F)c1)cc(=O)n2C ZINC000049784844 562683811 /nfs/dbraw/zinc/68/38/11/562683811.db2.gz JDSSTWGXBBEJLG-MUUNZHRXSA-N 1 2 537.969 6.550 1 0 KKAFLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCO)ncn1 ZINC000049793979 562685328 /nfs/dbraw/zinc/68/53/28/562685328.db2.gz HHVUDVWMACNSOB-UHFFFAOYSA-N 1 2 547.541 5.543 1 0 KKAFLO Cc1ccc(-n2nc(C(C)(C)C)cc2C(=O)C(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000049878125 562690445 /nfs/dbraw/zinc/69/04/45/562690445.db2.gz VPFUNTJCSGLRSW-UHFFFAOYSA-N 1 2 540.664 5.164 1 0 KKAFLO CCOP(=O)(CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@H](C)c3ccccc3)c2)[nH]1)OCC ZINC000049878629 562690722 /nfs/dbraw/zinc/69/07/22/562690722.db2.gz AZXQUHLBEZBKJS-LJQANCHMSA-N 1 2 540.601 7.767 1 0 KKAFLO COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)CC[N@H+](Cc1ccc(NC(C)=O)s1)CC2 ZINC000049917529 562693523 /nfs/dbraw/zinc/69/35/23/562693523.db2.gz ISIJQBZZXYJZQA-UHFFFAOYSA-N 1 2 611.185 6.381 1 0 KKAFLO COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)CC[N@@H+](Cc1ccc(NC(C)=O)s1)CC2 ZINC000049917529 562693524 /nfs/dbraw/zinc/69/35/24/562693524.db2.gz ISIJQBZZXYJZQA-UHFFFAOYSA-N 1 2 611.185 6.381 1 0 KKAFLO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)c2ccccc2)cn3Cc2c(F)cccc2F)cc1 ZINC000049938046 562695029 /nfs/dbraw/zinc/69/50/29/562695029.db2.gz PKHQDJJYFJGXHT-UHFFFAOYSA-N 1 2 675.801 8.514 1 0 KKAFLO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)c2ccccc2)cn3Cc2c(F)cccc2F)cc1 ZINC000049938046 562695030 /nfs/dbraw/zinc/69/50/30/562695030.db2.gz PKHQDJJYFJGXHT-UHFFFAOYSA-N 1 2 675.801 8.514 1 0 KKAFLO O=C(Nc1ccccc1)N(C[C@H]1CCC[C@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000049938414 562695258 /nfs/dbraw/zinc/69/52/58/562695258.db2.gz IFLWLFWRVQTDET-JDXGNMNLSA-N 1 2 688.096 7.394 1 0 KKAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nn1)OC1CCCC1 ZINC000049942456 562695510 /nfs/dbraw/zinc/69/55/10/562695510.db2.gz GHEIGWSDEBATBG-HEVIKAOCSA-N 1 2 661.769 6.844 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(F)cc2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955879 562695949 /nfs/dbraw/zinc/69/59/49/562695949.db2.gz MJBSGVLSOJUQSW-UHFFFAOYSA-N 1 2 590.667 6.096 1 0 KKAFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(F)cc2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955879 562695950 /nfs/dbraw/zinc/69/59/50/562695950.db2.gz MJBSGVLSOJUQSW-UHFFFAOYSA-N 1 2 590.667 6.096 1 0 KKAFLO COc1cc2c(cc1OC)[C@H](CCc1cc(F)ccc1F)[N@H+](CCNC(=O)Nc1cc(C)nc3ccccc31)CC2 ZINC000052956353 562695989 /nfs/dbraw/zinc/69/59/89/562695989.db2.gz QOASOYQYNFSWQE-LJAQVGFWSA-N 1 2 560.645 6.192 1 0 KKAFLO COc1cc2c(cc1OC)[C@H](CCc1cc(F)ccc1F)[N@@H+](CCNC(=O)Nc1cc(C)nc3ccccc31)CC2 ZINC000052956353 562695990 /nfs/dbraw/zinc/69/59/90/562695990.db2.gz QOASOYQYNFSWQE-LJAQVGFWSA-N 1 2 560.645 6.192 1 0 KKAFLO COc1ccc(C(OCC[NH+]2CC(O)(c3ccc(OC)cc3)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000052956466 562696000 /nfs/dbraw/zinc/69/60/00/562696000.db2.gz VHEHTNFPEQXWRD-UHFFFAOYSA-N 1 2 555.671 5.233 1 0 KKAFLO CS(=O)(=O)c1nc(Nc2[nH+]ccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053276583 562697104 /nfs/dbraw/zinc/69/71/04/562697104.db2.gz WKRQTORRFPYHKO-UHFFFAOYSA-N 1 2 558.464 5.470 1 0 KKAFLO C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(NCCO)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058538121 562698793 /nfs/dbraw/zinc/69/87/93/562698793.db2.gz ASTXNDZZOAPTNR-MRXNPFEDSA-N 1 2 534.041 5.446 1 0 KKAFLO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH2+]CC1 ZINC000058548286 562699120 /nfs/dbraw/zinc/69/91/20/562699120.db2.gz YTBKRCBBRFQLGH-UHFFFAOYSA-N 1 2 660.687 6.927 1 0 KKAFLO [NH3+]CCCCC[C@H](NCCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058583679 562700158 /nfs/dbraw/zinc/70/01/58/562700158.db2.gz HVRPKSNRQFGHJP-HKBQPEDESA-N 1 2 578.713 5.836 1 0 KKAFLO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1cccnc1 ZINC000058583702 562700163 /nfs/dbraw/zinc/70/01/63/562700163.db2.gz ITUYJHFAFVQOOR-UHFFFAOYSA-N 1 2 514.501 5.517 1 0 KKAFLO CCc1cccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000058599803 562700820 /nfs/dbraw/zinc/70/08/20/562700820.db2.gz HMWXVRNYPUAKEU-ULZCMHILSA-N 1 2 545.683 6.044 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@@H+]4C)cc3)n2)ccc(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185151 562701814 /nfs/dbraw/zinc/70/18/14/562701814.db2.gz CMFMSYJMERDRPZ-LJAQVGFWSA-N 1 2 631.202 5.790 1 0 KKAFLO Cc1c(-c2cn(C)c(=O)c(Nc3ccc([C@H]4C(=O)N(C)CC[N@H+]4C)cc3)n2)ccc(Cl)c1NC(=O)c1cc2c(s1)CCCC2 ZINC000059185151 562701815 /nfs/dbraw/zinc/70/18/15/562701815.db2.gz CMFMSYJMERDRPZ-LJAQVGFWSA-N 1 2 631.202 5.790 1 0 KKAFLO Cn1c2ccc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)cc2[nH+]c1Nc1cc(C(C)(C)C)ccc1F ZINC000059769688 562702190 /nfs/dbraw/zinc/70/21/90/562702190.db2.gz KLUQUTDAFSUQQQ-UHFFFAOYSA-N 1 2 524.522 7.350 1 0 KKAFLO COc1ccc2sc(-c3cc(OC)cc(OC)c3)c(-c3ccc(OCC[NH+]4CCOCC4)cc3)c2c1 ZINC000061944873 562703800 /nfs/dbraw/zinc/70/38/00/562703800.db2.gz IYMNTEAJVFVBIO-UHFFFAOYSA-N 1 2 505.636 5.972 3 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3ccc(Cl)cc3)[N@@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258492 562715001 /nfs/dbraw/zinc/71/50/01/562715001.db2.gz LYYBKEXNSAIKCW-BVYCBKJFSA-N 1 2 500.870 7.550 1 0 KKAFLO FC(F)(F)c1cc([C@@H]2O[C@H](c3ccc(Cl)cc3)[N@H+]3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258492 562715002 /nfs/dbraw/zinc/71/50/02/562715002.db2.gz LYYBKEXNSAIKCW-BVYCBKJFSA-N 1 2 500.870 7.550 1 0 KKAFLO Cc1ccc(-c2[nH+]c3ccc(-c4nc5cc(Oc6ccccc6)ccc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066263932 562715594 /nfs/dbraw/zinc/71/55/94/562715594.db2.gz HXKWDBPQYHPNST-UHFFFAOYSA-N 1 2 507.597 8.389 1 0 KKAFLO Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc43)[nH+]c3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn32)cc1 ZINC000071297090 562717715 /nfs/dbraw/zinc/71/77/15/562717715.db2.gz DBHJFKFJCDNEQZ-UHFFFAOYSA-N 1 2 583.396 7.984 1 0 KKAFLO C[NH+]1CCN(C(=S)SCCCOc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1 ZINC000071333576 562719495 /nfs/dbraw/zinc/71/94/95/562719495.db2.gz PFSIZTUDZXYKRP-UHFFFAOYSA-N 1 2 532.533 5.170 1 0 KKAFLO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(CC[C@@H](C[NH+]6CCOCC6)OC(=O)C6CCCCC6)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072113516 562722433 /nfs/dbraw/zinc/72/24/33/562722433.db2.gz CGYRICHAQQTEDZ-QGQRUJLJSA-N 1 2 612.852 6.004 1 0 KKAFLO CN(c1nc(Nc2ccc(C(F)(F)F)cc2)c2c([nH+]1)CCN(c1ncccc1C(F)(F)F)CC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072115331 562722987 /nfs/dbraw/zinc/72/29/87/562722987.db2.gz UYKWYCSLAOFZHJ-QFIPXVFZSA-N 1 2 665.683 7.094 1 0 KKAFLO O=C1[C@H](Cc2ccccc2)Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Br)cc1 ZINC000072136874 562728172 /nfs/dbraw/zinc/72/81/72/562728172.db2.gz SJVJGNJQMCDUGK-SANMLTNESA-N 1 2 569.507 5.136 3 0 KKAFLO COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc7c(c6)OCO7)cc5c4CC[N@@H+]3C[C@H]2[C@H](C)O)cc1 ZINC000072139433 562728912 /nfs/dbraw/zinc/72/89/12/562728912.db2.gz GIAOEZUHTMTLLO-LCYLOTQNSA-N 1 2 568.674 5.405 3 0 KKAFLO COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc7c(c6)OCO7)cc5c4CC[N@H+]3C[C@H]2[C@H](C)O)cc1 ZINC000072139433 562728913 /nfs/dbraw/zinc/72/89/13/562728913.db2.gz GIAOEZUHTMTLLO-LCYLOTQNSA-N 1 2 568.674 5.405 3 0 KKAFLO CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147682 562729820 /nfs/dbraw/zinc/72/98/20/562729820.db2.gz YTMFZHXRZWNDFQ-IHLOFXLRSA-N 1 2 673.081 6.976 1 0 KKAFLO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)n[nH]4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000072147780 562729854 /nfs/dbraw/zinc/72/98/54/562729854.db2.gz XJWJWPUTACXQHR-UHFFFAOYSA-N 1 2 636.675 5.755 3 0 KKAFLO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000073169755 562734866 /nfs/dbraw/zinc/73/48/66/562734866.db2.gz IOSKGFGRSUKMIG-QHCPKHFHSA-N 1 2 531.455 5.510 1 0 KKAFLO COc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1C ZINC000073198163 562735649 /nfs/dbraw/zinc/73/56/49/562735649.db2.gz MUSJFZYISZRYFX-MUUNZHRXSA-N 1 2 612.554 5.573 1 0 KKAFLO COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140448 562739460 /nfs/dbraw/zinc/73/94/60/562739460.db2.gz ICMMOFRXCREHAN-GDLZYMKVSA-N 1 2 673.132 5.163 1 0 KKAFLO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140751 562739590 /nfs/dbraw/zinc/73/95/90/562739590.db2.gz OKLPLULTLOLJSU-HHHXNRCGSA-N 1 2 691.012 5.160 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(C)Cc3ccccc3Cl)cc2)c(Cl)c1 ZINC000082149149 562739647 /nfs/dbraw/zinc/73/96/47/562739647.db2.gz DBVKFFIKZWPZIU-RUZDIDTESA-N 1 2 576.908 5.376 1 0 KKAFLO COc1ccc2[nH]c(C(=O)c3cc4c(nc[nH+]c4Nc4cccc(I)c4)[nH]3)cc2c1 ZINC000082150406 562739785 /nfs/dbraw/zinc/73/97/85/562739785.db2.gz PUODFDJQSRNOAD-UHFFFAOYSA-N 1 2 509.307 5.027 1 0 KKAFLO O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000082150854 562739860 /nfs/dbraw/zinc/73/98/60/562739860.db2.gz NPLAJBZCPFSGDJ-MGBGTMOVSA-N 1 2 564.129 5.792 1 0 KKAFLO O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000082150858 562739881 /nfs/dbraw/zinc/73/98/81/562739881.db2.gz KIFQPXIYQSYLPN-XIFFEERXSA-N 1 2 547.674 5.278 1 0 KKAFLO CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082153649 562740210 /nfs/dbraw/zinc/74/02/10/562740210.db2.gz JCTWRANIWWXHMU-GDLZYMKVSA-N 1 2 657.133 5.291 1 0 KKAFLO COc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@@H+]32)c1OC ZINC000082157165 562740832 /nfs/dbraw/zinc/74/08/32/562740832.db2.gz OYHPBXOFXJWCGO-OUOWLKGYSA-N 1 2 526.477 6.914 1 0 KKAFLO COc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c3cccc4C(F)(F)F)[C@H]3CCCC[N@H+]32)c1OC ZINC000082157165 562740833 /nfs/dbraw/zinc/74/08/33/562740833.db2.gz OYHPBXOFXJWCGO-OUOWLKGYSA-N 1 2 526.477 6.914 1 0 KKAFLO COc1cc(-c2cn(CC(=O)N(Cc3ccccc3)[C@H](C)c3ccccc3)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084635095 562746113 /nfs/dbraw/zinc/74/61/13/562746113.db2.gz PSIJAEZLXLRBKM-HSZRJFAPSA-N 1 2 506.610 5.238 1 0 KKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)[C@@H]4CCN(Cc5ccccc5)C4=O)cc3F)c2cc1OC ZINC000084654115 562747180 /nfs/dbraw/zinc/74/71/80/562747180.db2.gz FAFVLTUTYIQUIY-FQEVSTJZSA-N 1 2 515.541 5.171 1 0 KKAFLO COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000084708743 562750210 /nfs/dbraw/zinc/75/02/10/562750210.db2.gz ADLLKNAAZFQEMZ-AJQTZOPKSA-N 1 2 721.700 6.182 1 0 KKAFLO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2CCN(c3ccc4ccccc4n3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000095546513 562758512 /nfs/dbraw/zinc/75/85/12/562758512.db2.gz HFQLJRLTNIVFLN-BCZBACRNSA-N 1 2 758.002 5.259 1 0 KKAFLO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2CCN(c3ccc4ccccc4n3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000095546513 562758513 /nfs/dbraw/zinc/75/85/13/562758513.db2.gz HFQLJRLTNIVFLN-BCZBACRNSA-N 1 2 758.002 5.259 1 0 KKAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CCNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000095548813 562759528 /nfs/dbraw/zinc/75/95/28/562759528.db2.gz CPUALKQBBVOJHS-SSEXGKCCSA-N 1 2 756.049 6.520 1 0 KKAFLO O=c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)oc2cc(OC[C@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc12 ZINC000095552991 562760832 /nfs/dbraw/zinc/76/08/32/562760832.db2.gz ZAUPBIXKDGSHCS-PGUFJCEWSA-N 1 2 668.790 7.180 1 0 KKAFLO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095570458 562768201 /nfs/dbraw/zinc/76/82/01/562768201.db2.gz GFVNWDBMZVYSCS-QOCGDCEFSA-N 1 2 694.833 5.455 1 0 KKAFLO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095570458 562768202 /nfs/dbraw/zinc/76/82/02/562768202.db2.gz GFVNWDBMZVYSCS-QOCGDCEFSA-N 1 2 694.833 5.455 1 0 KKAFLO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570456 562768235 /nfs/dbraw/zinc/76/82/35/562768235.db2.gz RKFPRZNLXVJUNG-TVUFSCHNSA-N 1 2 627.807 5.815 1 0 KKAFLO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570456 562768236 /nfs/dbraw/zinc/76/82/36/562768236.db2.gz RKFPRZNLXVJUNG-TVUFSCHNSA-N 1 2 627.807 5.815 1 0 KKAFLO O=C(Nc1ccc(F)cc1)[C@H](c1ccnc2ccccc21)[NH+]1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095570682 562768393 /nfs/dbraw/zinc/76/83/93/562768393.db2.gz RLCJPUHAYGRRKA-VWLOTQADSA-N 1 2 509.507 5.290 3 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095570733 562768439 /nfs/dbraw/zinc/76/84/39/562768439.db2.gz NGQWRAJVXVPGQM-IKTKBOKFSA-N 1 2 668.770 5.656 1 0 KKAFLO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095570733 562768440 /nfs/dbraw/zinc/76/84/40/562768440.db2.gz NGQWRAJVXVPGQM-IKTKBOKFSA-N 1 2 668.770 5.656 1 0 KKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095570908 562768616 /nfs/dbraw/zinc/76/86/16/562768616.db2.gz JAKCSYUJAPGRJF-YTTGMZPUSA-N 1 2 510.645 6.619 3 0 KKAFLO Cc1ccc(C[NH2+]CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000095586111 562773778 /nfs/dbraw/zinc/77/37/78/562773778.db2.gz TVEWCMSSGBBIIK-UHFFFAOYSA-N 1 2 538.532 6.913 1 0 KKAFLO Cc1ccc(C[NH2+]CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000095586111 562773779 /nfs/dbraw/zinc/77/37/79/562773779.db2.gz TVEWCMSSGBBIIK-UHFFFAOYSA-N 1 2 538.532 6.913 1 0 KKAFLO CC(C)[N@H+](C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095589123 562774835 /nfs/dbraw/zinc/77/48/35/562774835.db2.gz LGETZAUOUVGVPY-UHFFFAOYSA-N 1 2 676.784 7.378 1 0 KKAFLO CC(C)[N@@H+](C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095589123 562774836 /nfs/dbraw/zinc/77/48/36/562774836.db2.gz LGETZAUOUVGVPY-UHFFFAOYSA-N 1 2 676.784 7.378 1 0 KKAFLO Cc1cc(F)c(NC(=O)c2ccoc2)cc1Nc1ccc2c(c1)CCc1ccc(OCC[NH+]3CCOCC3)cc1C2=O ZINC000095597497 562777258 /nfs/dbraw/zinc/77/72/58/562777258.db2.gz OKAWVBPTOGVXNS-UHFFFAOYSA-N 1 2 569.633 5.764 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599877 562778467 /nfs/dbraw/zinc/77/84/67/562778467.db2.gz CBAAPWVHONFTKW-PWRHEVILSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599877 562778468 /nfs/dbraw/zinc/77/84/68/562778468.db2.gz CBAAPWVHONFTKW-PWRHEVILSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600181 562778676 /nfs/dbraw/zinc/77/86/76/562778676.db2.gz CBAAPWVHONFTKW-RICRHEPGSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600181 562778677 /nfs/dbraw/zinc/77/86/77/562778677.db2.gz CBAAPWVHONFTKW-RICRHEPGSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095600330 562778830 /nfs/dbraw/zinc/77/88/30/562778830.db2.gz CBAAPWVHONFTKW-ZXGVZLNTSA-N 1 2 724.843 6.039 1 0 KKAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095600330 562778831 /nfs/dbraw/zinc/77/88/31/562778831.db2.gz CBAAPWVHONFTKW-ZXGVZLNTSA-N 1 2 724.843 6.039 1 0 KKAFLO CCc1[nH+]c(C(C)C)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000095603963 562780745 /nfs/dbraw/zinc/78/07/45/562780745.db2.gz XGNPTRSEOMIEGX-ZEQKJWHPSA-N 1 2 512.620 6.065 1 0 KKAFLO CC(C)N1CC2(C[NH+](Cc3ccc(-c4ccccc4)cc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872161 562790016 /nfs/dbraw/zinc/79/00/16/562790016.db2.gz FVVDYRLRGGSZOU-UHFFFAOYSA-N 1 2 532.644 5.499 1 0 KKAFLO O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1Nc1cccc(SC(F)(F)F)c1 ZINC000095896509 562790281 /nfs/dbraw/zinc/79/02/81/562790281.db2.gz HKMPZFKQVZYOEM-UHFFFAOYSA-N 1 2 570.559 6.435 1 0 KKAFLO Nc1nccn2c(-c3ccc(OCC[NH+]4CCOCC4)cc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000096168199 562790621 /nfs/dbraw/zinc/79/06/21/562790621.db2.gz WZTMNOMUZXWJKD-UHFFFAOYSA-N 1 2 507.594 5.149 1 0 KKAFLO O=C(Nc1nc2ccc(Cl)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000096258263 562792861 /nfs/dbraw/zinc/79/28/61/562792861.db2.gz RZJOMVBTCBDARA-UHFFFAOYSA-N 1 2 535.113 6.338 1 0 KKAFLO Cc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258258 562792889 /nfs/dbraw/zinc/79/28/89/562792889.db2.gz DUAQFJITTLWUAT-UHFFFAOYSA-N 1 2 514.695 5.993 1 0 KKAFLO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2[nH+]ccn2Cc2ccc(C(C)(C)C)cc2)cc2c[nH]nc21 ZINC000096284720 562795308 /nfs/dbraw/zinc/79/53/08/562795308.db2.gz GNTCBELAKXUQFI-MGBGTMOVSA-N 1 2 644.824 6.919 1 0 KKAFLO O=C(CCc1cccc2ccccc21)c1cccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000096892367 562796695 /nfs/dbraw/zinc/79/66/95/562796695.db2.gz JPIHNTRSRAFIKN-GDLZYMKVSA-N 1 2 512.625 5.356 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@@H+](CCCCCO)C3 ZINC000096906050 562798655 /nfs/dbraw/zinc/79/86/55/562798655.db2.gz UUVXVAJYFCFUML-YNJYCQHRSA-N 1 2 537.829 8.901 1 0 KKAFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@H+](CCCCCO)C3 ZINC000096906050 562798656 /nfs/dbraw/zinc/79/86/56/562798656.db2.gz UUVXVAJYFCFUML-YNJYCQHRSA-N 1 2 537.829 8.901 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCC4CCCCC4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913935 562800527 /nfs/dbraw/zinc/80/05/27/562800527.db2.gz JNDOTITYLUSWQG-PMERELPUSA-N 1 2 572.746 6.130 1 0 KKAFLO COc1ccc(C[C@H]2c3cc(OCC4CCCCC4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913935 562800528 /nfs/dbraw/zinc/80/05/28/562800528.db2.gz JNDOTITYLUSWQG-PMERELPUSA-N 1 2 572.746 6.130 1 0 KKAFLO CCCCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913958 562800633 /nfs/dbraw/zinc/80/06/33/562800633.db2.gz DHTZPXOXRVKNMG-HHHXNRCGSA-N 1 2 532.681 5.350 1 0 KKAFLO CCCCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913958 562800634 /nfs/dbraw/zinc/80/06/34/562800634.db2.gz DHTZPXOXRVKNMG-HHHXNRCGSA-N 1 2 532.681 5.350 1 0 KKAFLO O=C1C[C@H](c2ccccc2)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)sc2N1CCC[NH+]1CCOCC1 ZINC000096923473 562802086 /nfs/dbraw/zinc/80/20/86/562802086.db2.gz UIJDOWXGBMTKGM-HHHXNRCGSA-N 1 2 577.577 7.980 1 0 KKAFLO COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCC[NH+]3CCOCC3)C(=O)Nc3ccc(I)cc32)cc1 ZINC000096937490 562804239 /nfs/dbraw/zinc/80/42/39/562804239.db2.gz BXPQHWCRILDSCP-HKBQPEDESA-N 1 2 626.535 5.595 1 0 KKAFLO O=C(/C=C/C[NH+]1CCOCC1)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 ZINC000096938586 562804511 /nfs/dbraw/zinc/80/45/11/562804511.db2.gz LSCYWBZWOOITKQ-GORDUTHDSA-N 1 2 590.055 5.359 1 0 KKAFLO Nc1cc(Cl)ccc1Cn1c[nH+]cc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940190 562804895 /nfs/dbraw/zinc/80/48/95/562804895.db2.gz WABYAVBTYJCHCG-UHFFFAOYSA-N 1 2 522.077 7.723 1 0 KKAFLO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000096941783 562805068 /nfs/dbraw/zinc/80/50/68/562805068.db2.gz HOBUBSDXJVENDS-HSZRJFAPSA-N 1 2 527.492 5.679 1 0 KKAFLO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3cccc(C(=O)CCc4cccc5ccccc54)c3)CC2)c1C ZINC000096941822 562805099 /nfs/dbraw/zinc/80/50/99/562805099.db2.gz KFBUQQSFQSXIQG-SSEXGKCCSA-N 1 2 522.689 5.834 1 0 KKAFLO COc1cc2[nH+]cc(C(=O)NC3CC(C)(C)N(O)C(C)(C)C3)c(Nc3cccc(Cl)c3)c2cc1OC ZINC000101468766 562810874 /nfs/dbraw/zinc/81/08/74/562810874.db2.gz BGPSYCLMKCEUGQ-UHFFFAOYSA-N 1 2 512.030 5.746 1 0 KKAFLO O=C(Nc1ccccc1)O[C@H]1/C(=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[NH+]2CCC1CC2 ZINC000102417571 562813232 /nfs/dbraw/zinc/81/32/32/562813232.db2.gz QMROCFSZPOFYSZ-ATWSJQDYSA-N 1 2 513.619 5.562 1 0 KKAFLO Cc1cn(-c2cc(NC(=O)Nc3ccc(C4=Nc5cnn(Cc6ccccc6)c5NC(=O)C4)cc3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000102894971 562813427 /nfs/dbraw/zinc/81/34/27/562813427.db2.gz ZOAYGKZRXSHCNM-UHFFFAOYSA-N 1 2 598.589 6.551 1 0 KKAFLO CC[C@@H](c1cc(F)c(F)c(F)c1)n1cc(Cl)cc2c(-c3ccc(-n4c[nH+]c(C)c4)c(OC)c3)nnc1-2 ZINC000102944708 562813652 /nfs/dbraw/zinc/81/36/52/562813652.db2.gz GJCOUZBSCUDYCA-NRFANRHFSA-N 1 2 511.935 6.623 1 0 KKAFLO Cc1cccc(OCc2ccccc2-c2nc(CN3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)c1 ZINC000103187464 562815480 /nfs/dbraw/zinc/81/54/80/562815480.db2.gz COGATKVDAKSRSB-UMSFTDKQSA-N 1 2 580.197 8.258 1 0 KKAFLO CCC(CC)c1nc(-c2ccc(N3CC[NH+]([C@H](C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 ZINC000103225267 562817658 /nfs/dbraw/zinc/81/76/58/562817658.db2.gz HYZITMLDKVZQPY-SANMLTNESA-N 1 2 507.654 5.511 1 0 KKAFLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 ZINC000103227765 562817942 /nfs/dbraw/zinc/81/79/42/562817942.db2.gz CCONKWUBYYLGDN-NDEPHWFRSA-N 1 2 548.707 5.070 1 0 KKAFLO COc1ccccc1C[N@H+](C)CCCCCCOc1ccc(-c2coc3cc(O)cc(=O)c-3c2O)cc1 ZINC000103251919 562820378 /nfs/dbraw/zinc/82/03/78/562820378.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N 1 2 503.595 5.951 1 0 KKAFLO COc1ccccc1C[N@@H+](C)CCCCCCOc1ccc(-c2coc3cc(O)cc(=O)c-3c2O)cc1 ZINC000103251919 562820379 /nfs/dbraw/zinc/82/03/79/562820379.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N 1 2 503.595 5.951 1 0 KKAFLO COc1ccccc1C[N@H+](C)CCCCCCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 ZINC000103251919 562820380 /nfs/dbraw/zinc/82/03/80/562820380.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N 1 2 503.595 5.951 1 0 KKAFLO COc1ccccc1C[N@@H+](C)CCCCCCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 ZINC000103251919 562820381 /nfs/dbraw/zinc/82/03/81/562820381.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N 1 2 503.595 5.951 1 0 KKAFLO O=C(c1ccccc1C(F)(F)F)N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103261467 562821402 /nfs/dbraw/zinc/82/14/02/562821402.db2.gz PNGVXWKXXOFILD-MUUNZHRXSA-N 1 2 606.567 5.522 1 0 KKAFLO Cn1c[nH+]cc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103266812 562822379 /nfs/dbraw/zinc/82/23/79/562822379.db2.gz TWXSHNQCPSUCSH-BHDXBOSCSA-N 1 2 576.141 5.797 1 0 KKAFLO CCCCc1[nH+]cc(/C=C2\C(=O)N(CCCC)C(=O)N2c2ccccc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000103272716 562823060 /nfs/dbraw/zinc/82/30/60/562823060.db2.gz LPFCOYZGEBWSFM-XHPQRKPJSA-N 1 2 514.626 5.670 1 0 KKAFLO C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3cc(F)c(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114036405 562827015 /nfs/dbraw/zinc/82/70/15/562827015.db2.gz JUSSFCNIFJCZKV-UHFFFAOYSA-N 1 2 507.968 6.937 1 0 KKAFLO C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)nc1 ZINC000114035259 562827049 /nfs/dbraw/zinc/82/70/49/562827049.db2.gz YNIUMAZSMRJQKC-UHFFFAOYSA-N 1 2 507.421 6.707 1 0 KKAFLO O=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000114036986 562827195 /nfs/dbraw/zinc/82/71/95/562827195.db2.gz MALPONILHDQNAC-UHFFFAOYSA-N 1 2 506.046 5.402 1 0 KKAFLO O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)nc1)c1cccnc1 ZINC000114978393 562828518 /nfs/dbraw/zinc/82/85/18/562828518.db2.gz RGMINFZJHGBKLN-NDEPHWFRSA-N 1 2 547.080 6.032 1 0 KKAFLO CC(=O)O[C@H]1/C(=C/c2cccc(OCCCn3cc[nH+]c3)c2)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921538 562830988 /nfs/dbraw/zinc/83/09/88/562830988.db2.gz XAHYEWZIOJAJCF-YLLJFBNRSA-N 1 2 586.773 7.172 1 0 KKAFLO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[C@@H](O)C6)nc5)c4)nc(C)[nH+]3)cc12 ZINC000141987445 562833836 /nfs/dbraw/zinc/83/38/36/562833836.db2.gz FLKRGYRUFNGPPG-UQBPGWFLSA-N 1 2 506.610 5.708 1 0 KKAFLO Nc1cc(F)c(F)cc1Nc1[nH]c2c([nH+]1)c(Br)c(Br)c(Br)c2Br ZINC000143496381 562835067 /nfs/dbraw/zinc/83/50/67/562835067.db2.gz FUEWXQZBMROOFP-UHFFFAOYSA-N 1 2 575.831 6.217 1 0 KKAFLO COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4ccccc4)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000146657718 562838748 /nfs/dbraw/zinc/83/87/48/562838748.db2.gz MPGWLSFOOKKDCL-NDEPHWFRSA-N 1 2 504.594 5.169 1 0 KKAFLO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)cn2)C1 ZINC000147302064 562839254 /nfs/dbraw/zinc/83/92/54/562839254.db2.gz NGGUKLWGYUVOPF-HSZRJFAPSA-N 1 2 583.615 6.121 1 0 KKAFLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546852 562844459 /nfs/dbraw/zinc/84/44/59/562844459.db2.gz ISVDAODCNJBUCA-UHFFFAOYSA-N 1 2 648.760 6.564 1 0 KKAFLO O[C@@H](COc1c(Br)cc(C(c2cc(Br)c(OC[C@H](O)C[NH+]3CCOCC3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br)CN1CCOCC1 ZINC000150561639 562844901 /nfs/dbraw/zinc/84/49/01/562844901.db2.gz OHOBNUOBOCABGF-WOJBJXKFSA-N 1 2 938.187 6.291 1 0 KKAFLO CS(=O)(=O)Nc1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2Cl)cc1 ZINC000150599764 562847047 /nfs/dbraw/zinc/84/70/47/562847047.db2.gz DWXQINXFFZFEND-UHFFFAOYSA-N 1 2 654.258 6.223 1 0 KKAFLO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH+]2CCOCC2)C(=O)N[C@H](CCN(Cc2ccccc2Cl)C(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150607087 562848033 /nfs/dbraw/zinc/84/80/33/562848033.db2.gz YBLOSHNBIZTDHF-NQVJXQQZSA-N 1 2 796.460 6.565 1 0 KKAFLO Cn1c2cc(N3CCC(F)CC3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000165398131 562850209 /nfs/dbraw/zinc/85/02/09/562850209.db2.gz ITKXUCLFNIFYDF-UHFFFAOYSA-N 1 2 678.011 8.269 1 0 KKAFLO COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34C[NH+](C)CC3(C1)C[NH+](C)C4)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165408985 562850224 /nfs/dbraw/zinc/85/02/24/562850224.db2.gz VSHHLFWFZKBTAQ-LUUJKXMLSA-N 1 2 713.945 5.026 1 0 KKAFLO COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3c4cc(NC(=O)CCCCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169332128 562859093 /nfs/dbraw/zinc/85/90/93/562859093.db2.gz VZCKRSFEOTUZRB-UHFFFAOYSA-N 1 2 611.768 5.087 1 0 KKAFLO CCOCCNc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000169335983 562859747 /nfs/dbraw/zinc/85/97/47/562859747.db2.gz GITDAMOZKGMYFL-UHFFFAOYSA-N 1 2 600.764 6.126 1 0 KKAFLO CN(C)c1ccc(C2=[NH+]N(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000169339716 562860443 /nfs/dbraw/zinc/86/04/43/562860443.db2.gz KEQPXOAXBHXISN-SSEXGKCCSA-N 1 2 604.201 6.115 1 0 KKAFLO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3cnn(C)c3)c2)cc1F ZINC000169344651 562861444 /nfs/dbraw/zinc/86/14/44/562861444.db2.gz PLLKNTADWFHSNK-UHFFFAOYSA-N 1 2 647.729 5.477 1 0 KKAFLO Cc1ccc(-c2csc(-n3nc(Nc4[nH]cc(-c5ccc(C)cc5)[nH+]4)cc3-c3ccc(C)cc3)n2)cc1 ZINC000169350096 562862750 /nfs/dbraw/zinc/86/27/50/562862750.db2.gz ATOBANUDJILIMM-UHFFFAOYSA-N 1 2 502.647 7.722 1 0 KKAFLO Clc1ccc(-c2csc(-n3nc(Nc4[nH]cc(-c5ccc(Cl)cc5)[nH+]4)cc3-c3ccc(Cl)cc3)n2)cc1 ZINC000169350325 562862757 /nfs/dbraw/zinc/86/27/57/562862757.db2.gz GWJFVQSGFYSTOH-UHFFFAOYSA-N 1 2 563.901 8.757 1 0 KKAFLO Cn1c2cc(NC3CC(F)(F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700882 562867747 /nfs/dbraw/zinc/86/77/47/562867747.db2.gz YPZLPHRHFWXNQY-UHFFFAOYSA-N 1 2 681.974 8.540 1 0 KKAFLO C[C@@H](NC(=O)c1cc2[nH+]c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)c1cccs1 ZINC000169700901 562867805 /nfs/dbraw/zinc/86/78/05/562867805.db2.gz PIYUHVRDXPNOIZ-QGZVFWFLSA-N 1 2 663.622 7.684 1 0 KKAFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NCc3ccc(F)cc3C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700912 562867819 /nfs/dbraw/zinc/86/78/19/562867819.db2.gz RJNGLBIWSAUQBY-UHFFFAOYSA-N 1 2 729.553 8.219 1 0 KKAFLO Cn1c2cc(N3CCOCC3)c(C(=O)NCC(F)(F)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700943 562867853 /nfs/dbraw/zinc/86/78/53/562867853.db2.gz RMPDCRAOCIHEJP-UHFFFAOYSA-N 1 2 665.491 6.050 1 0 KKAFLO CN(c1cc2c(cc1C(=O)NCCC(F)(F)F)[nH+]c(Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl)n2C)C1CCC1 ZINC000169701028 562867884 /nfs/dbraw/zinc/86/78/84/562867884.db2.gz ODLIVENDISOJHM-UHFFFAOYSA-N 1 2 631.502 6.659 1 0 KKAFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703087 562868615 /nfs/dbraw/zinc/86/86/15/562868615.db2.gz ABHWBJFRFDJURW-UHFFFAOYSA-N 1 2 704.499 8.018 1 0 KKAFLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(F)c(N3CCC(c4c[nH]c([C@@H]5CCCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH+]4)CC3)c(F)c2)c[nH]1)C(C)C ZINC000202691106 562873770 /nfs/dbraw/zinc/87/37/70/562873770.db2.gz YWJPIZATENOTGM-YRCZKMHPSA-N 1 2 795.933 5.940 1 0 KKAFLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3cc(F)ccc3[nH+]2)[C@@H](OCc2ccc(-c3ccccc3)cc2)C1 ZINC000206740013 562876526 /nfs/dbraw/zinc/87/65/26/562876526.db2.gz ISSOLUDHEZMZKW-UIOOFZCWSA-N 1 2 502.590 5.986 1 0 KKAFLO CN1CCN(S(=O)(=O)c2ccc(-c3ccc4cc[nH+]c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473089352 562897397 /nfs/dbraw/zinc/89/73/97/562897397.db2.gz KYWMHOSBKBGZAZ-UHFFFAOYSA-N 1 2 617.146 6.953 1 0 KKAFLO CN1CC[NH+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)CC1 ZINC000473152114 562901734 /nfs/dbraw/zinc/90/17/34/562901734.db2.gz HXJYNJVJAWWLIS-UILWBTOOSA-N 1 2 567.561 6.147 1 0 KKAFLO [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc43)cn2)C1 ZINC000473164996 562902892 /nfs/dbraw/zinc/90/28/92/562902892.db2.gz NHIOHZSWBYQOAB-QGZVFWFLSA-N 1 2 549.462 5.390 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(OCC[NH+](C)C)nc1 ZINC000473213418 562903898 /nfs/dbraw/zinc/90/38/98/562903898.db2.gz CTNSVHJCMGFELJ-UHFFFAOYSA-N 1 2 512.397 5.013 1 0 KKAFLO CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000473213470 562903901 /nfs/dbraw/zinc/90/39/01/562903901.db2.gz HSFDFPJOXXVPJT-UHFFFAOYSA-N 1 2 511.413 5.141 1 0 KKAFLO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCN(C)CC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668899 562906065 /nfs/dbraw/zinc/90/60/65/562906065.db2.gz WNZMTCCSAXSUHG-UHFFFAOYSA-N 1 2 558.082 5.111 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)NC(C)(C)C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653709737 562908075 /nfs/dbraw/zinc/90/80/75/562908075.db2.gz WYRPHDHIWMGHEK-UHFFFAOYSA-N 1 2 550.667 5.306 1 0 KKAFLO CC(=O)Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000653744957 562910310 /nfs/dbraw/zinc/91/03/10/562910310.db2.gz ICVCYWDWDXHOQA-UHFFFAOYSA-N 1 2 634.684 5.674 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000653749409 562910616 /nfs/dbraw/zinc/91/06/16/562910616.db2.gz ZFKFURRKPAYTCJ-SANMLTNESA-N 1 2 567.451 5.177 1 0 KKAFLO [NH3+][C@@H](CC[NH+](Cc1ccccc1Oc1ccccc1F)Cc1ccccc1Oc1ccccc1F)C(=O)[O-] ZINC000653760944 562911349 /nfs/dbraw/zinc/91/13/49/562911349.db2.gz PEWJHOTYWVNRDO-VWLOTQADSA-N 1 2 518.560 6.354 1 0 KKAFLO CC(=O)N1CCN(c2ccc(Nc3c(C(N)=O)c[nH+]c4ccc(-c5cnc6ccccc6c5)cc43)cc2C(F)(F)F)CC1 ZINC000653762886 562911511 /nfs/dbraw/zinc/91/15/11/562911511.db2.gz ZXCABQMRPVVKSS-UHFFFAOYSA-N 1 2 584.602 5.402 1 0 KKAFLO CCCc1[nH+]c2c(cc(C(=O)N[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653765596 562911620 /nfs/dbraw/zinc/91/16/20/562911620.db2.gz JBQLJPNVSMAEBZ-HSZRJFAPSA-N 1 2 555.686 6.684 1 0 KKAFLO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C(=O)Nc3ccccn3)=C(C(C)C)[NH+]=C3N=CNN32)cc1 ZINC000653766976 562911655 /nfs/dbraw/zinc/91/16/55/562911655.db2.gz SWLGVKBHGJDCPW-MUUNZHRXSA-N 1 2 516.609 5.051 1 0 KKAFLO O=C(Nc1ccc(Cl)cc1)Nc1ccc(COc2ccc3oc(NCC[NH+]4CCOCC4)nc3c2)cc1 ZINC000653830144 562914534 /nfs/dbraw/zinc/91/45/34/562914534.db2.gz PZMWYNHAJJJURG-UHFFFAOYSA-N 1 2 522.005 5.448 1 0 KKAFLO Cc1c2cc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)NCCCn1cc[nH+]c1 ZINC000653888075 562917120 /nfs/dbraw/zinc/91/71/20/562917120.db2.gz VJMNUJVDHZTSED-UHFFFAOYSA-N 1 2 597.524 6.460 1 0 KKAFLO Cc1c2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)NCCCn1cc[nH+]c1 ZINC000653905721 562917633 /nfs/dbraw/zinc/91/76/33/562917633.db2.gz CRXKGKVDGTTWQA-UHFFFAOYSA-N 1 2 563.079 5.807 1 0 KKAFLO CCC/C=C1\OC(=O)C2=C([C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571172 565145354 /nfs/dbraw/zinc/14/53/54/565145354.db2.gz VKDZCHKNWKXDCY-GSNWLRGVSA-N 1 2 649.788 6.354 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)[C@H](O)C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631338 565163391 /nfs/dbraw/zinc/16/33/91/565163391.db2.gz POEZBDJYIWBIQD-GSYBHBIQSA-N 1 2 640.801 5.300 1 0 biogenic,in-vitro KKAFLO COc1cc(CCC(=O)[C@H](O)C(=O)C[C@@H]2C=C[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631335 565163711 /nfs/dbraw/zinc/16/37/11/565163711.db2.gz ZLNAMQBNAUWHRS-GSYBHBIQSA-N 1 2 638.785 5.076 1 0 biogenic,in-vitro KKAFLO CCC1C=C(c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=[NH+]1 ZINC000150350066 565202513 /nfs/dbraw/zinc/20/25/13/565202513.db2.gz FDDNLTCDKXMYBC-UHFFFAOYSA-N 1 2 658.771 7.685 1 0 biogenic,in-vitro KKAFLO